data_6023 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N, and 13C Resonance Assignments of Calmodulin Complexed with the Calmodulin-Binding Domain of Protein Phosphatase 2B ; _BMRB_accession_number 6023 _BMRB_flat_file_name bmr6023.str _Entry_type original _Submission_date 2003-11-28 _Accession_date 2003-12-01 _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 Lin Ta-Hsien . . 2 Huang Jian-Wen . . 3 Huang Hsien-bin . . 4 Chen Yi-chen . . 5 Liu Chia-Yen . . 6 Lo Chi-jen . . 7 Tang Tzu-Chun . . 8 Chyan Chia-Lin . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 725 "13C chemical shifts" 565 "15N chemical shifts" 142 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-12-01 original author . stop_ _Original_release_date 2004-12-01 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: 1H, 15N, and 13C Resonance Assignments of Calmodulin Complexed with the Calmodulin-Binding Domain of calcineurin ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15243184 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lin Ta-Hsien . . 2 Huang Jian-Wen . . 3 Huang Hsien-bin . . 4 Chen Yi-chen . . 5 Liu Chia-Yen . . 6 Lo Chi-jen . . 7 Tang Tzu Chun . 8 Chyan Chia-Lin . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 29 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 531 _Page_last 532 _Year 2004 _Details . loop_ _Keyword 'heteronuclear NMR' calmodulin 'protein phosphatase 2B' calcineurin stop_ save_ ################################## # Molecular system description # ################################## save_system_CaM-PP2B_peptide_complex _Saveframe_category molecular_system _Mol_system_name 'calmodulin-protein phosphatase 2B peptide complex' _Abbreviation_common 'CaM-PP2B peptide complex' _Enzyme_commission_number 3.1.3.16 loop_ _Mol_system_component_name _Mol_label Calmodulin $CaM 'Protein Phosphatase 2B' $PP2Bp stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function 'protein phosphatase' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CaM _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Calmodulin _Abbreviation_common CaM _Molecular_mass 16706 _Mol_thiol_state 'not present' _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 2015-01-28 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 BMRB 15624 Calmodulin_binding_domain_of_Calcineurin 100.00 24 100.00 100.00 1.72e-05 PDB 1AUI "Human Calcineurin Heterodimer" 100.00 521 100.00 100.00 6.14e-06 PDB 2F2O "Structure Of Calmodulin Bound To A Calcineurin Peptide: A New Way Of Making An Old Binding Mode" 91.67 179 100.00 100.00 5.66e-04 PDB 2F2P "Structure Of Calmodulin Bound To A Calcineurin Peptide: A New Way Of Making An Old Binding Mode" 91.67 179 100.00 100.00 5.66e-04 PDB 2JZI "Structure Of Calmodulin Complexed With The Calmodulin Binding Domain Of Calcineurin" 100.00 24 100.00 100.00 1.72e-05 PDB 2R28 "The Complex Structure Of Calmodulin Bound To A Calcineurin Peptide" 95.83 25 100.00 100.00 5.77e-05 PDB 2W73 "High-Resolution Structure Of The Complex Between Calmodulin And A Peptide From Calcineurin A" 70.83 17 100.00 100.00 5.26e-01 PDB 4IL1 "Crystal Structure Of The Rat Calcineurin" 100.00 823 100.00 100.00 7.59e-06 PDB 4Q5U "Structure Of Calmodulin Bound To Its Recognition Site From Calcineurin" 100.00 24 100.00 100.00 1.72e-05 DBJ BAA14083 "calcineurin A alpha [Rattus norvegicus]" 100.00 521 100.00 100.00 6.14e-06 DBJ BAB19673 "calcineurin catalytic subunit [Xenopus laevis]" 100.00 508 100.00 100.00 6.04e-06 DBJ BAC36398 "unnamed protein product [Mus musculus]" 100.00 210 100.00 100.00 5.11e-06 DBJ BAE27131 "unnamed protein product [Mus musculus]" 100.00 511 100.00 100.00 6.07e-06 DBJ BAE29521 "unnamed protein product [Mus musculus]" 100.00 511 100.00 100.00 6.07e-06 EMBL CAA40398 "serine/threonine specific protein phosphatase [Rattus norvegicus]" 100.00 511 100.00 100.00 6.07e-06 EMBL CAA54807 "protein phosphatase 2B catalytic subunit, calcineurin A subunit [Drosophila melanogaster]" 95.83 560 100.00 100.00 2.41e-05 EMBL CAB89253 "hypothetical protein [Homo sapiens]" 100.00 521 100.00 100.00 6.14e-06 EMBL CAF94324 "unnamed protein product, partial [Tetraodon nigroviridis]" 95.83 520 100.00 100.00 2.31e-05 EMBL CAH91746 "hypothetical protein [Pongo abelii]" 100.00 511 100.00 100.00 6.07e-06 GB AAA02631 "calmodulin-dependent phosphatase catalytic subunit [Homo sapiens]" 100.00 521 100.00 100.00 6.14e-06 GB AAA35634 "calcineurin catalytic subunit, partial [Homo sapiens]" 100.00 253 100.00 100.00 3.16e-06 GB AAA37359 "calcineurin catalytic subunit [Mus musculus]" 100.00 521 100.00 100.00 6.14e-06 GB AAA37432 "calcineurin, partial [Mus musculus]" 100.00 307 100.00 100.00 3.60e-06 GB AAA40940 "calcineurin A [Rattus norvegicus]" 100.00 521 100.00 100.00 6.14e-06 PRF 1714202A "calcineurin A" 100.00 511 100.00 100.00 6.07e-06 PRF 2006264A "Ca/calmodulin-regulated protein phosphatase" 95.83 560 100.00 100.00 2.41e-05 REF NP_000935 "serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform isoform 1 [Homo sapiens]" 100.00 521 100.00 100.00 6.14e-06 REF NP_001074063 "protein phosphatase 3, catalytic subunit, gamma isoform [Danio rerio]" 95.83 506 100.00 100.00 2.27e-05 REF NP_001076161 "serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform [Oryctolagus cuniculus]" 100.00 511 100.00 100.00 6.07e-06 REF NP_001080813 "protein phosphatase 3, catalytic subunit, alpha isoform [Xenopus laevis]" 100.00 518 100.00 100.00 6.12e-06 REF NP_001087372 "protein phosphatase 3, catalytic subunit, alpha isozyme [Xenopus laevis]" 100.00 511 100.00 100.00 6.07e-06 SP P48452 "RecName: Full=Serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform; AltName: Full=CAM-PRP catalytic subunit;" 100.00 521 100.00 100.00 6.14e-06 SP P63328 "RecName: Full=Serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform; AltName: Full=CAM-PRP catalytic subunit;" 100.00 521 100.00 100.00 6.14e-06 SP P63329 "RecName: Full=Serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform; AltName: Full=CAM-PRP catalytic subunit;" 100.00 521 100.00 100.00 6.14e-06 SP Q08209 "RecName: Full=Serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform; AltName: Full=CAM-PRP catalytic subunit;" 100.00 521 100.00 100.00 6.14e-06 SP Q27889 "RecName: Full=Serine/threonine-protein phosphatase 2B catalytic subunit 2; AltName: Full=Calmodulin-dependent calcineurin A2 su" 95.83 570 100.00 100.00 2.43e-05 TPG DAA28842 "TPA: serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform [Bos taurus]" 100.00 521 100.00 100.00 6.14e-06 stop_ save_ save_PP2Bp _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'protein phosphatase 2B peptide' _Abbreviation_common PP2Bp _Molecular_mass 2812 _Mol_thiol_state 'not present' _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 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 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 SWISS-PROT Q27889 'Serine/threonine-protein phosphatase 2B catalytic subunit 2 (Calmodulin-dependent calcineurin A2 subunit)' 95.83 570 100.00 100.00 1.25e-04 SWISS-PROT Q08209 'Serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform (Calmodulin-dependent calcineurin A subunit alpha isoform) (CAM-PRP catalytic subunit)' 100.00 521 100.00 100.00 4.00e-05 SWISS-PROT P63329 'Serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform (Calmodulin-dependent calcineurin A subunit alpha isoform) (CAM-PRP catalytic subunit)' 100.00 521 100.00 100.00 4.00e-05 SWISS-PROT P63328 'Serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform (Calmodulin-dependent calcineurin A subunit alpha isoform) (CAM-PRP catalytic subunit)' 100.00 521 100.00 100.00 4.00e-05 SWISS-PROT P48452 'Serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform (Calmodulin-dependent calcineurin A subunit alpha isoform) (CAM-PRP catalytic subunit)' 100.00 521 100.00 100.00 4.00e-05 REF NP_001087372 'MGC79144 protein [Xenopus laevis]' 100.00 511 100.00 100.00 4.00e-05 REF NP_001080813 'protein phosphatase 3, catalytic subunit, alpha isoform [Xenopus laevis]' 100.00 518 100.00 100.00 4.00e-05 REF NP_001076161 'protein phosphatase 3 (formerly 2B), catalytic subunit, gamma isoform [Oryctolagus cuniculus]' 100.00 511 100.00 100.00 4.00e-05 REF NP_001074063 'zgc:158685 [Danio rerio]' 95.83 506 100.00 100.00 1.25e-04 REF NP_000935 'protein phosphatase 3, catalytic subunit, alpha isoform isoform 1 [Homo sapiens]' 100.00 521 100.00 100.00 4.00e-05 PRF 2006264A 'Ca/calmodulin-regulated protein phosphatase' 95.83 560 100.00 100.00 1.25e-04 PRF 1714202A 'calcineurin A' 100.00 511 100.00 100.00 4.00e-05 GenBank AAA40940 'calcineurin A' 100.00 521 100.00 100.00 4.00e-05 GenBank AAA37432 calcineurin 100.00 307 100.00 100.00 4.00e-05 GenBank AAA37359 'calcineurin catalytic subunit' 100.00 521 100.00 100.00 4.00e-05 GenBank AAA35634 'calcineurin catalytic subunit' 100.00 253 100.00 100.00 4.88e-05 GenBank AAA02631 'calmodulin-dependent phosphatase catalytic subunit' 100.00 521 100.00 100.00 4.00e-05 EMBL CAH91746 'hypothetical protein [Pongo abelii]' 100.00 511 100.00 100.00 4.00e-05 EMBL CAF94324 'unnamed protein product [Tetraodon nigroviridis]' 95.83 520 100.00 100.00 1.25e-04 EMBL CAB89253 'hypothetical protein [Homo sapiens]' 100.00 521 100.00 100.00 4.00e-05 EMBL CAA54807 'protein phosphatase 2B catalytic subunit, calcineurin A subunit; serine /threonine specific protein phosphatase [Drosophila melanogaster]' 95.83 560 100.00 100.00 1.25e-04 EMBL CAA40398 'serine/threonine specific protein phosphatase [Rattus norvegicus]' 100.00 511 100.00 100.00 4.00e-05 DBJ BAE29521 'unnamed protein product [Mus musculus]' 100.00 511 100.00 100.00 4.00e-05 DBJ BAE27131 'unnamed protein product [Mus musculus]' 100.00 511 100.00 100.00 4.00e-05 DBJ BAC36398 'unnamed protein product [Mus musculus]' 100.00 210 100.00 100.00 1.11e-04 DBJ BAB19673 'calcineurin catalytic subunit [Xenopus laevis]' 100.00 508 100.00 100.00 4.00e-05 DBJ BAA14083 'calcineurin A alpha [Rattus norvegicus]' 100.00 521 100.00 100.00 4.00e-05 PDB 2R28 'The Complex Structure Of Calmodulin Bound To A Calcineurin Peptide' 95.83 25 100.00 100.00 2.99e-03 PDB 2F2P 'Structure Of Calmodulin Bound To A Calcineurin Peptide: A New Way Of Making An Old Binding Mode' 95.83 179 100.00 100.00 1.62e-03 PDB 2F2O 'Structure Of Calmodulin Bound To A Calcineurin Peptide: A New Way Of Making An Old Binding Mode' 95.83 179 100.00 100.00 1.62e-03 PDB 1AUI 'Human Calcineurin Heterodimer' 100.00 521 100.00 100.00 4.00e-05 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CaM Chicken 9031 Eukaryota Metazoa Gallus gallus $PP2Bp Bovine 9913 Eukaryota Metazoa Bos taurus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $CaM 'recombinant technology' 'E. coli' . . BL21(DE3) plasmid pET29 $PP2Bp 'chemically synthesized' . . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_max_value _Isotopic_labeling $CaM 1.1 mM 1.1 '[U-99% 13C; U-99% 15N]' $PP2Bp 1.1 mM 1.1 . KCl 100 mM . . CaCl2 5 mM . . D2O 10 % . . H2O 90 % . . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HN(CO)CA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HN(CA)CO_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label . save_ save_CBCANH_5 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _Sample_label . save_ save_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_15N-HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-HSQC _Sample_label . save_ save_HBHA(CACBCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CACBCO)NH _Sample_label . save_ save_H(CCO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCO)NH _Sample_label . save_ save_C(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH _Sample_label . save_ save_1H-15N_HSQC-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC-TOCSY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CACBCO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC-TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.1 n/a temperature 310 1 K 'ionic strength' 0.13 0.02 M stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name Calmodulin _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 . 2 ASP HA H 4.66 0.02 1 2 . 2 ASP HB2 H 2.71 0.02 2 3 . 2 ASP HB3 H 2.57 0.02 2 4 . 2 ASP C C 175.8 0.20 1 5 . 2 ASP CA C 54.5 0.20 1 6 . 2 ASP CB C 41.1 0.20 1 7 . 3 GLN H H 8.33 0.02 1 8 . 3 GLN HA H 4.39 0.02 1 9 . 3 GLN HB2 H 2.10 0.02 2 10 . 3 GLN HB3 H 1.99 0.02 2 11 . 3 GLN HG2 H 2.36 0.02 2 12 . 3 GLN HG3 H 2.21 0.02 2 13 . 3 GLN C C 175.8 0.20 1 14 . 3 GLN CA C 55.4 0.20 1 15 . 3 GLN CB C 29.5 0.20 1 16 . 3 GLN CG C 33.6 0.20 1 17 . 3 GLN N N 120.1 0.20 1 18 . 4 LEU H H 8.22 0.02 1 19 . 4 LEU HA H 4.69 0.02 1 20 . 4 LEU HB2 H 1.73 0.02 2 21 . 4 LEU HB3 H 1.54 0.02 2 22 . 4 LEU HD1 H 0.91 0.02 1 23 . 4 LEU HD2 H 0.91 0.02 1 24 . 4 LEU C C 177.9 0.20 1 25 . 4 LEU CA C 54.3 0.20 1 26 . 4 LEU CB C 43.2 0.20 1 27 . 4 LEU CG C 26.6 0.20 1 28 . 4 LEU CD1 C 23.6 0.20 1 29 . 4 LEU N N 123.4 0.20 1 30 . 5 THR H H 8.68 0.02 1 31 . 5 THR HA H 4.79 0.02 1 32 . 5 THR HB H 4.50 0.02 1 33 . 5 THR HG2 H 1.36 0.02 1 34 . 5 THR C C 175.6 0.20 1 35 . 5 THR CA C 60.3 0.20 1 36 . 5 THR CB C 70.9 0.20 1 37 . 5 THR CG2 C 21.7 0.20 1 38 . 5 THR N N 113.1 0.20 1 39 . 6 GLU H H 8.97 0.02 1 40 . 6 GLU HA H 4.00 0.02 1 41 . 6 GLU HB2 H 2.09 0.02 1 42 . 6 GLU HB3 H 2.09 0.02 1 43 . 6 GLU HG2 H 2.39 0.02 1 44 . 6 GLU HG3 H 2.39 0.02 1 45 . 6 GLU C C 179.6 0.20 1 46 . 6 GLU CA C 60.0 0.20 1 47 . 6 GLU CB C 29.0 0.20 1 48 . 6 GLU CG C 36.5 0.20 1 49 . 6 GLU N N 120.5 0.20 1 50 . 7 GLU H H 8.58 0.02 1 51 . 7 GLU HA H 4.09 0.02 1 52 . 7 GLU HB2 H 2.07 0.02 2 53 . 7 GLU HB3 H 1.93 0.02 2 54 . 7 GLU HG2 H 2.29 0.02 1 55 . 7 GLU HG3 H 2.29 0.02 1 56 . 7 GLU C C 178.7 0.20 1 57 . 7 GLU CA C 59.7 0.20 1 58 . 7 GLU CB C 29.0 0.20 1 59 . 7 GLU CG C 36.4 0.20 1 60 . 7 GLU N N 119.9 0.20 1 61 . 8 GLN H H 7.71 0.02 1 62 . 8 GLN HA H 4.02 0.02 1 63 . 8 GLN HB2 H 2.44 0.02 2 64 . 8 GLN HB3 H 1.82 0.02 2 65 . 8 GLN HG2 H 2.41 0.02 1 66 . 8 GLN HG3 H 2.41 0.02 1 67 . 8 GLN C C 179.6 0.20 1 68 . 8 GLN CA C 58.4 0.20 1 69 . 8 GLN CB C 29.2 0.20 1 70 . 8 GLN CG C 35.0 0.20 1 71 . 8 GLN N N 119.1 0.20 1 72 . 9 ILE H H 8.43 0.02 1 73 . 9 ILE HA H 3.82 0.02 1 74 . 9 ILE HB H 2.03 0.02 1 75 . 9 ILE HG12 H 1.86 0.02 2 76 . 9 ILE HG13 H 1.13 0.02 2 77 . 9 ILE HG2 H 1.13 0.02 1 78 . 9 ILE HD1 H 0.78 0.02 1 79 . 9 ILE C C 178.2 0.20 1 80 . 9 ILE CA C 66.0 0.20 1 81 . 9 ILE CB C 37.5 0.20 1 82 . 9 ILE CG1 C 30.0 0.20 1 83 . 9 ILE CG2 C 17.4 0.20 1 84 . 9 ILE CD1 C 12.6 0.20 1 85 . 9 ILE N N 119.9 0.20 1 86 . 10 ALA H H 8.07 0.02 1 87 . 10 ALA HA H 4.15 0.02 1 88 . 10 ALA HB H 1.58 0.02 1 89 . 10 ALA C C 181.4 0.20 1 90 . 10 ALA CA C 55.3 0.20 1 91 . 10 ALA CB C 17.6 0.20 1 92 . 10 ALA N N 122.1 0.20 1 93 . 11 GLU H H 7.97 0.02 1 94 . 11 GLU HA H 4.11 0.02 1 95 . 11 GLU HB2 H 2.20 0.02 2 96 . 11 GLU HB3 H 1.57 0.02 2 97 . 11 GLU HG2 H 2.50 0.02 1 98 . 11 GLU HG3 H 2.50 0.02 1 99 . 11 GLU C C 180.7 0.20 1 100 . 11 GLU CA C 59.1 0.20 1 101 . 11 GLU CB C 29.0 0.20 1 102 . 11 GLU CG C 36.1 0.20 1 103 . 11 GLU N N 118.8 0.20 1 104 . 12 PHE H H 8.45 0.02 1 105 . 12 PHE HA H 4.85 0.02 1 106 . 12 PHE HB2 H 3.57 0.02 2 107 . 12 PHE HB3 H 3.42 0.02 2 108 . 12 PHE C C 179.2 0.20 1 109 . 12 PHE CA C 60.7 0.20 1 110 . 12 PHE CB C 38.2 0.20 1 111 . 12 PHE N N 118.9 0.20 1 112 . 13 LYS H H 9.24 0.02 1 113 . 13 LYS HA H 3.99 0.02 1 114 . 13 LYS HB2 H 1.96 0.02 2 115 . 13 LYS HB3 H 1.85 0.02 2 116 . 13 LYS HG2 H 1.01 0.02 2 117 . 13 LYS HG3 H 0.98 0.02 2 118 . 13 LYS HD2 H 1.32 0.02 1 119 . 13 LYS HD3 H 1.32 0.02 1 120 . 13 LYS HE2 H 3.14 0.02 1 121 . 13 LYS HE3 H 3.14 0.02 1 122 . 13 LYS C C 179.3 0.20 1 123 . 13 LYS CA C 59.9 0.20 1 124 . 13 LYS CB C 31.4 0.20 1 125 . 13 LYS CG C 25.4 0.20 1 126 . 13 LYS CD C 28.6 0.20 1 127 . 13 LYS CE C 41.7 0.20 1 128 . 13 LYS N N 124.0 0.20 1 129 . 14 GLU H H 8.01 0.02 1 130 . 14 GLU HA H 4.21 0.02 1 131 . 14 GLU HB2 H 2.24 0.02 2 132 . 14 GLU HB3 H 2.18 0.02 2 133 . 14 GLU HG2 H 2.38 0.02 1 134 . 14 GLU HG3 H 2.38 0.02 1 135 . 14 GLU C C 179.8 0.20 1 136 . 14 GLU CA C 59.3 0.20 1 137 . 14 GLU CB C 29.5 0.20 1 138 . 14 GLU CG C 36.3 0.20 1 139 . 14 GLU N N 119.5 0.20 1 140 . 15 ALA H H 7.75 0.02 1 141 . 15 ALA HA H 4.23 0.02 1 142 . 15 ALA HB H 1.91 0.02 1 143 . 15 ALA C C 177.8 0.20 1 144 . 15 ALA CA C 55.2 0.20 1 145 . 15 ALA CB C 17.5 0.20 1 146 . 15 ALA N N 121.0 0.20 1 147 . 16 PHE H H 8.64 0.02 1 148 . 16 PHE HA H 3.37 0.02 1 149 . 16 PHE HB2 H 3.32 0.02 2 150 . 16 PHE HB3 H 2.89 0.02 2 151 . 16 PHE C C 177.9 0.20 1 152 . 16 PHE CA C 61.4 0.20 1 153 . 16 PHE CB C 39.6 0.20 1 154 . 16 PHE N N 119.0 0.20 1 155 . 17 SER H H 8.20 0.02 1 156 . 17 SER HA H 4.06 0.02 1 157 . 17 SER HB2 H 4.06 0.02 1 158 . 17 SER HB3 H 4.06 0.02 1 159 . 17 SER C C 174.3 0.20 1 160 . 17 SER CA C 61.4 0.20 1 161 . 17 SER CB C 62.9 0.20 1 162 . 17 SER N N 113.8 0.20 1 163 . 18 LEU H H 7.21 0.02 1 164 . 18 LEU HA H 3.97 0.02 1 165 . 18 LEU HB2 H 1.66 0.02 2 166 . 18 LEU HB3 H 1.44 0.02 2 167 . 18 LEU HD1 H 0.68 0.02 1 168 . 18 LEU C C 176.1 0.20 1 169 . 18 LEU CA C 57.1 0.20 1 170 . 18 LEU CB C 41.6 0.20 1 171 . 18 LEU CG C 25.4 0.20 1 172 . 18 LEU CD1 C 23.6 0.20 1 173 . 18 LEU N N 120.6 0.20 1 174 . 19 PHE H H 6.94 0.02 1 175 . 19 PHE HA H 4.18 0.02 1 176 . 19 PHE HB2 H 2.72 0.02 2 177 . 19 PHE HB3 H 2.60 0.02 2 178 . 19 PHE C C 176.1 0.20 1 179 . 19 PHE CA C 58.6 0.20 1 180 . 19 PHE CB C 41.5 0.20 1 181 . 19 PHE N N 112.5 0.20 1 182 . 20 ASP H H 7.49 0.02 1 183 . 20 ASP HA H 4.58 0.02 1 184 . 20 ASP HB2 H 2.24 0.02 2 185 . 20 ASP HB3 H 1.46 0.02 2 186 . 20 ASP C C 177.1 0.20 1 187 . 20 ASP CA C 52.1 0.20 1 188 . 20 ASP CB C 39.2 0.20 1 189 . 20 ASP N N 116.1 0.20 1 190 . 21 LYS H H 7.66 0.02 1 191 . 21 LYS HA H 3.96 0.02 1 192 . 21 LYS HB2 H 1.89 0.02 1 193 . 21 LYS HB3 H 1.89 0.02 1 194 . 21 LYS HG2 H 1.53 0.02 1 195 . 21 LYS HG3 H 1.53 0.02 1 196 . 21 LYS HD2 H 1.68 0.02 1 197 . 21 LYS HD3 H 1.68 0.02 1 198 . 21 LYS HE2 H 2.97 0.02 1 199 . 21 LYS HE3 H 2.97 0.02 1 200 . 21 LYS C C 178.4 0.20 1 201 . 21 LYS CA C 58.0 0.20 1 202 . 21 LYS CB C 32.2 0.20 1 203 . 21 LYS CG C 24.2 0.20 1 204 . 21 LYS CD C 28.2 0.20 1 205 . 21 LYS CE C 41.7 0.20 1 206 . 21 LYS N N 124.1 0.20 1 207 . 22 ASP H H 8.16 0.02 1 208 . 22 ASP HA H 4.60 0.02 1 209 . 22 ASP HB2 H 3.08 0.02 2 210 . 22 ASP HB3 H 2.64 0.02 2 211 . 22 ASP C C 177.8 0.20 1 212 . 22 ASP CA C 52.7 0.20 1 213 . 22 ASP CB C 39.4 0.20 1 214 . 22 ASP N N 114.1 0.20 1 215 . 23 GLY H H 7.63 0.02 1 216 . 23 GLY HA2 H 3.89 0.02 1 217 . 23 GLY HA3 H 3.89 0.02 1 218 . 23 GLY C C 175.3 0.20 1 219 . 23 GLY CA C 47.1 0.20 1 220 . 23 GLY N N 109.2 0.20 1 221 . 24 ASP H H 8.48 0.02 1 222 . 24 ASP HA H 4.52 0.02 1 223 . 24 ASP HB2 H 3.08 0.02 2 224 . 24 ASP HB3 H 2.48 0.02 2 225 . 24 ASP C C 177.6 0.20 1 226 . 24 ASP CA C 53.6 0.20 1 227 . 24 ASP CB C 40.2 0.20 1 228 . 24 ASP N N 121.0 0.20 1 229 . 25 GLY H H 10.52 0.02 1 230 . 25 GLY HA2 H 4.41 0.02 2 231 . 25 GLY HA3 H 3.73 0.02 2 232 . 25 GLY C C 174.0 0.20 1 233 . 25 GLY CA C 45.2 0.20 1 234 . 25 GLY N N 112.8 0.20 1 235 . 26 THR H H 8.24 0.02 1 236 . 26 THR HA H 5.41 0.02 1 237 . 26 THR HB H 3.86 0.02 1 238 . 26 THR HG2 H 1.07 0.02 1 239 . 26 THR C C 173.4 0.20 1 240 . 26 THR CA C 59.6 0.20 1 241 . 26 THR CB C 72.3 0.20 1 242 . 26 THR CG2 C 21.8 0.20 1 243 . 26 THR N N 112.6 0.20 1 244 . 27 ILE H H 9.80 0.02 1 245 . 27 ILE HA H 4.78 0.02 1 246 . 27 ILE HB H 1.76 0.02 1 247 . 27 ILE HG12 H 1.29 0.02 1 248 . 27 ILE HG13 H 1.29 0.02 1 249 . 27 ILE HG2 H 1.29 0.02 1 250 . 27 ILE C C 176.2 0.20 1 251 . 27 ILE CA C 60.8 0.20 1 252 . 27 ILE CB C 39.5 0.20 1 253 . 27 ILE CG1 C 26.3 0.20 1 254 . 27 ILE CG2 C 17.5 0.20 1 255 . 27 ILE CD1 C 15.0 0.20 1 256 . 27 ILE N N 126.9 0.20 1 257 . 28 THR H H 8.49 0.02 1 258 . 28 THR HA H 4.88 0.02 1 259 . 28 THR HB H 4.88 0.02 1 260 . 28 THR HG2 H 1.31 0.02 1 261 . 28 THR C C 176.9 0.20 1 262 . 28 THR CA C 59.3 0.20 1 263 . 28 THR CB C 72.1 0.20 1 264 . 28 THR CG2 C 21.8 0.20 1 265 . 28 THR N N 116.6 0.20 1 266 . 29 THR H H 9.19 0.02 1 267 . 29 THR HA H 4.23 0.02 1 268 . 29 THR HB H 3.80 0.02 1 269 . 29 THR HG2 H 1.31 0.02 1 270 . 29 THR C C 177.5 0.20 1 271 . 29 THR CA C 66.2 0.20 1 272 . 29 THR CB C 67.3 0.20 1 273 . 29 THR CG2 C 23.3 0.20 1 274 . 29 THR N N 112.5 0.20 1 275 . 30 LYS H H 7.60 0.02 1 276 . 30 LYS HA H 4.14 0.02 1 277 . 30 LYS HB2 H 1.85 0.02 1 278 . 30 LYS HB3 H 1.85 0.02 1 279 . 30 LYS HG2 H 1.46 0.02 1 280 . 30 LYS HG3 H 1.46 0.02 1 281 . 30 LYS HD2 H 1.71 0.02 1 282 . 30 LYS HD3 H 1.71 0.02 1 283 . 30 LYS HE2 H 3.02 0.02 1 284 . 30 LYS HE3 H 3.02 0.02 1 285 . 30 LYS C C 180.1 0.20 1 286 . 30 LYS CA C 59.0 0.20 1 287 . 30 LYS CB C 32.2 0.20 1 288 . 30 LYS CG C 24.9 0.20 1 289 . 30 LYS CD C 29.1 0.20 1 290 . 30 LYS CE C 42.0 0.20 1 291 . 30 LYS N N 121.1 0.20 1 292 . 31 GLU H H 7.69 0.02 1 293 . 31 GLU HA H 4.01 0.02 1 294 . 31 GLU HB2 H 2.89 0.02 2 295 . 31 GLU HB3 H 2.37 0.02 2 296 . 31 GLU HG2 H 2.62 0.02 1 297 . 31 GLU C C 179.1 0.20 1 298 . 31 GLU CA C 59.5 0.20 1 299 . 31 GLU CB C 29.3 0.20 1 300 . 31 GLU CG C 38.3 0.20 1 301 . 31 GLU N N 122.0 0.20 1 302 . 32 LEU H H 8.65 0.02 1 303 . 32 LEU HA H 4.16 0.02 1 304 . 32 LEU HB2 H 1.87 0.02 2 305 . 32 LEU HB3 H 1.51 0.02 2 306 . 32 LEU HD1 H 0.88 0.02 1 307 . 32 LEU HD2 H 0.88 0.02 1 308 . 32 LEU C C 179.3 0.20 1 309 . 32 LEU CA C 58.1 0.20 1 310 . 32 LEU CB C 42.2 0.20 1 311 . 32 LEU CG C 26.0 0.20 1 312 . 32 LEU CD1 C 23.8 0.20 1 313 . 32 LEU N N 119.8 0.20 1 314 . 33 GLY H H 8.79 0.02 1 315 . 33 GLY HA2 H 3.97 0.02 2 316 . 33 GLY HA3 H 3.52 0.02 2 317 . 33 GLY C C 175.2 0.20 1 318 . 33 GLY CA C 48.3 0.20 1 319 . 33 GLY N N 105.7 0.20 1 320 . 34 THR H H 8.07 0.02 1 321 . 34 THR HA H 4.42 0.02 1 322 . 34 THR HB H 3.97 0.02 1 323 . 34 THR HG2 H 1.30 0.02 1 324 . 34 THR C C 177.3 0.20 1 325 . 34 THR CA C 66.9 0.20 1 326 . 34 THR CB C 68.0 0.20 1 327 . 34 THR CG2 C 21.2 0.20 1 328 . 34 THR N N 118.5 0.20 1 329 . 35 VAL H H 7.75 0.02 1 330 . 35 VAL HA H 3.66 0.02 2 331 . 35 VAL HB H 2.12 0.02 2 332 . 35 VAL HG1 H 0.93 0.02 2 333 . 35 VAL HG2 H 0.61 0.02 2 334 . 35 VAL C C 179.1 0.20 1 335 . 35 VAL CA C 66.5 0.20 1 336 . 35 VAL CB C 31.4 0.20 1 337 . 35 VAL CG1 C 20.5 0.20 1 338 . 35 VAL CG2 C 23.2 0.20 1 339 . 35 VAL N N 121.8 0.20 1 340 . 36 MET H H 8.44 0.02 1 341 . 36 MET HA H 4.12 0.02 1 342 . 36 MET HB2 H 1.95 0.02 2 343 . 36 MET HB3 H 1.72 0.02 2 344 . 36 MET HG2 H 2.59 0.02 2 345 . 36 MET HG3 H 2.44 0.02 2 346 . 36 MET C C 179.3 0.20 1 347 . 36 MET CA C 58.3 0.20 1 348 . 36 MET CB C 30.6 0.20 1 349 . 36 MET CG C 32.6 0.20 1 350 . 36 MET N N 117.3 0.20 1 351 . 37 ARG H H 8.67 0.02 1 352 . 37 ARG HA H 4.77 0.02 1 353 . 37 ARG HB2 H 1.92 0.02 1 354 . 37 ARG HB3 H 1.92 0.02 1 355 . 37 ARG HG2 H 1.89 0.02 1 356 . 37 ARG HG3 H 1.89 0.02 1 357 . 37 ARG HD2 H 3.30 0.02 2 358 . 37 ARG HD3 H 3.15 0.02 2 359 . 37 ARG C C 181.8 0.20 1 360 . 37 ARG CA C 59.0 0.20 1 361 . 37 ARG CB C 29.7 0.20 1 362 . 37 ARG CG C 29.4 0.20 1 363 . 37 ARG CD C 43.6 0.20 1 364 . 37 ARG N N 119.1 0.20 1 365 . 38 SER H H 7.99 0.02 1 366 . 38 SER HA H 4.36 0.02 1 367 . 38 SER HB2 H 4.11 0.02 2 368 . 38 SER HB3 H 4.00 0.02 2 369 . 38 SER C C 174.9 0.20 1 370 . 38 SER CA C 61.7 0.20 1 371 . 38 SER CB C 62.6 0.20 1 372 . 38 SER N N 119.1 0.20 1 373 . 39 LEU H H 7.32 0.02 1 374 . 39 LEU HA H 4.40 0.02 1 375 . 39 LEU HB2 H 1.86 0.02 2 376 . 39 LEU HB3 H 1.80 0.02 2 377 . 39 LEU HD1 H 0.83 0.02 1 378 . 39 LEU C C 177.4 0.20 1 379 . 39 LEU CA C 54.2 0.20 1 380 . 39 LEU CB C 41.3 0.20 1 381 . 39 LEU CG C 26.2 0.20 1 382 . 39 LEU CD1 C 22.8 0.20 1 383 . 39 LEU N N 119.4 0.20 1 384 . 40 GLY H H 7.88 0.02 1 385 . 40 GLY HA2 H 4.28 0.02 2 386 . 40 GLY HA3 H 3.82 0.02 2 387 . 40 GLY C C 174.4 0.20 1 388 . 40 GLY CA C 45.5 0.20 1 389 . 40 GLY N N 106.9 0.20 1 390 . 41 GLN H H 7.86 0.02 1 391 . 41 GLN HA H 4.52 0.02 1 392 . 41 GLN HB2 H 1.98 0.02 2 393 . 41 GLN HB3 H 1.55 0.02 2 394 . 41 GLN HG2 H 2.16 0.02 1 395 . 41 GLN HG3 H 2.16 0.02 1 396 . 41 GLN C C 174.3 0.20 1 397 . 41 GLN CA C 53.9 0.20 1 398 . 41 GLN CB C 30.0 0.20 1 399 . 41 GLN CG C 33.4 0.20 1 400 . 41 GLN N N 118.3 0.20 1 401 . 42 ASN H H 8.59 0.02 1 402 . 42 ASN HA H 4.58 0.02 1 403 . 42 ASN HB2 H 2.72 0.02 1 404 . 42 ASN HB3 H 2.72 0.02 1 405 . 42 ASN C C 172.3 0.20 1 406 . 42 ASN CA C 51.1 0.20 1 407 . 42 ASN CB C 39.0 0.20 1 408 . 42 ASN N N 116.5 0.20 1 409 . 43 PRO HA H 4.81 0.02 1 410 . 43 PRO HB2 H 1.83 0.02 1 411 . 43 PRO HB3 H 1.83 0.02 1 412 . 43 PRO C C 177.6 0.20 1 413 . 43 PRO CA C 62.0 0.20 1 414 . 43 PRO CB C 31.6 0.20 1 415 . 43 PRO CG C 27.4 0.20 1 416 . 43 PRO CD C 49.9 0.20 1 417 . 44 THR H H 9.16 0.02 1 418 . 44 THR HA H 4.74 0.02 1 419 . 44 THR HB H 4.47 0.02 1 420 . 44 THR HG2 H 1.37 0.02 1 421 . 44 THR C C 175.4 0.20 1 422 . 44 THR CA C 60.3 0.20 1 423 . 44 THR CB C 70.7 0.20 1 424 . 44 THR CG2 C 21.8 0.20 1 425 . 44 THR N N 113.8 0.20 1 426 . 45 GLU H H 8.77 0.02 1 427 . 45 GLU HA H 4.01 0.02 1 428 . 45 GLU HB2 H 2.07 0.02 1 429 . 45 GLU HB3 H 2.07 0.02 1 430 . 45 GLU HG2 H 2.35 0.02 1 431 . 45 GLU HG3 H 2.35 0.02 1 432 . 45 GLU C C 179.0 0.20 1 433 . 45 GLU CA C 60.0 0.20 1 434 . 45 GLU CB C 28.7 0.20 1 435 . 45 GLU CG C 36.0 0.20 1 436 . 45 GLU N N 120.6 0.20 1 437 . 46 ALA H H 8.19 0.02 1 438 . 46 ALA HA H 4.12 0.02 1 439 . 46 ALA HB H 1.43 0.02 1 440 . 46 ALA C C 180.6 0.20 1 441 . 46 ALA CA C 54.9 0.20 1 442 . 46 ALA CB C 18.0 0.20 1 443 . 46 ALA N N 120.5 0.20 1 444 . 47 GLU H H 7.68 0.02 1 445 . 47 GLU HA H 4.07 0.02 1 446 . 47 GLU HB2 H 2.44 0.02 2 447 . 47 GLU HB3 H 1.87 0.02 2 448 . 47 GLU HG2 H 2.39 0.02 1 449 . 47 GLU HG3 H 2.39 0.02 1 450 . 47 GLU C C 179.6 0.20 1 451 . 47 GLU CA C 58.9 0.20 1 452 . 47 GLU CB C 29.3 0.20 1 453 . 47 GLU CG C 37.4 0.20 1 454 . 47 GLU N N 118.8 0.20 1 455 . 48 LEU H H 8.25 0.02 1 456 . 48 LEU HA H 4.12 0.02 1 457 . 48 LEU HB2 H 2.12 0.02 2 458 . 48 LEU HB3 H 1.22 0.02 2 459 . 48 LEU HD1 H 0.83 0.02 1 460 . 48 LEU HD2 H 0.83 0.02 1 461 . 48 LEU C C 179.1 0.20 1 462 . 48 LEU CA C 57.9 0.20 1 463 . 48 LEU CB C 42.2 0.20 1 464 . 48 LEU CG C 25.9 0.20 1 465 . 48 LEU CD1 C 23.4 0.20 1 466 . 48 LEU N N 119.5 0.20 1 467 . 49 GLN H H 8.14 0.02 1 468 . 49 GLN HA H 3.85 0.02 1 469 . 49 GLN HB2 H 2.20 0.02 1 470 . 49 GLN HB3 H 2.20 0.02 1 471 . 49 GLN HG2 H 2.48 0.02 1 472 . 49 GLN HG3 H 2.48 0.02 1 473 . 49 GLN C C 178.7 0.20 1 474 . 49 GLN CA C 58.5 0.20 1 475 . 49 GLN CB C 27.9 0.20 1 476 . 49 GLN CG C 34.1 0.20 1 477 . 49 GLN N N 117.9 0.20 1 478 . 50 ASP H H 8.05 0.02 1 479 . 50 ASP HA H 4.47 0.02 1 480 . 50 ASP HB2 H 2.89 0.02 2 481 . 50 ASP HB3 H 2.67 0.02 2 482 . 50 ASP C C 179.2 0.20 1 483 . 50 ASP CA C 57.3 0.20 1 484 . 50 ASP CB C 40.2 0.20 1 485 . 50 ASP N N 120.6 0.20 1 486 . 51 MET H H 8.17 0.02 1 487 . 51 MET HA H 3.94 0.02 1 488 . 51 MET HB2 H 2.28 0.02 2 489 . 51 MET HB3 H 2.06 0.02 2 490 . 51 MET HG2 H 2.80 0.02 2 491 . 51 MET HG3 H 2.44 0.02 2 492 . 51 MET C C 178.3 0.20 1 493 . 51 MET CA C 59.5 0.20 1 494 . 51 MET CB C 33.6 0.20 1 495 . 51 MET CG C 32.5 0.20 1 496 . 51 MET N N 120.2 0.20 1 497 . 52 ILE H H 7.80 0.02 1 498 . 52 ILE HA H 3.52 0.02 1 499 . 52 ILE HB H 1.99 0.02 1 500 . 52 ILE HG12 H 1.65 0.02 1 501 . 52 ILE HG2 H 1.11 0.02 1 502 . 52 ILE C C 178.3 0.20 1 503 . 52 ILE CA C 64.4 0.20 1 504 . 52 ILE CB C 36.7 0.20 1 505 . 52 ILE CG1 C 29.1 0.20 1 506 . 52 ILE CG2 C 16.4 0.20 1 507 . 52 ILE CD1 C 12.1 0.20 1 508 . 52 ILE N N 117.3 0.20 1 509 . 53 ASN H H 8.50 0.02 1 510 . 53 ASN HA H 4.45 0.02 1 511 . 53 ASN HB2 H 3.02 0.02 2 512 . 53 ASN HB3 H 2.93 0.02 2 513 . 53 ASN C C 177.1 0.20 1 514 . 53 ASN CA C 55.8 0.20 1 515 . 53 ASN CB C 38.1 0.20 1 516 . 53 ASN N N 117.6 0.20 1 517 . 54 GLU H H 7.49 0.02 1 518 . 54 GLU HA H 4.09 0.02 1 519 . 54 GLU HB2 H 2.14 0.02 1 520 . 54 GLU HB3 H 2.14 0.02 1 521 . 54 GLU HG2 H 2.36 0.02 1 522 . 54 GLU HG3 H 2.36 0.02 1 523 . 54 GLU C C 177.3 0.20 1 524 . 54 GLU CA C 58.3 0.20 1 525 . 54 GLU CB C 29.6 0.20 1 526 . 54 GLU CG C 35.6 0.20 1 527 . 54 GLU N N 116.7 0.20 1 528 . 55 VAL H H 7.26 0.02 1 529 . 55 VAL HA H 4.27 0.02 1 530 . 55 VAL HB H 2.15 0.02 1 531 . 55 VAL HG1 H 0.94 0.02 2 532 . 55 VAL HG2 H 0.74 0.02 2 533 . 55 VAL C C 175.7 0.20 1 534 . 55 VAL CA C 61.0 0.20 1 535 . 55 VAL CB C 32.9 0.20 1 536 . 55 VAL CG1 C 22.5 0.20 1 537 . 55 VAL CG2 C 20.4 0.20 1 538 . 55 VAL N N 111.8 0.20 1 539 . 56 ASP H H 7.81 0.02 1 540 . 56 ASP HA H 4.52 0.02 1 541 . 56 ASP HB2 H 2.74 0.02 2 542 . 56 ASP HB3 H 2.49 0.02 2 543 . 56 ASP C C 176.0 0.20 1 544 . 56 ASP CA C 53.7 0.20 1 545 . 56 ASP CB C 40.7 0.20 1 546 . 56 ASP N N 120.8 0.20 1 547 . 57 ALA H H 8.16 0.02 1 548 . 57 ALA HA H 4.26 0.02 1 549 . 57 ALA HB H 1.55 0.02 1 550 . 57 ALA C C 178.9 0.20 1 551 . 57 ALA CA C 53.9 0.20 1 552 . 57 ALA CB C 19.7 0.20 1 553 . 57 ALA N N 131.4 0.20 1 554 . 58 ASP H H 8.28 0.02 1 555 . 58 ASP HA H 4.64 0.02 1 556 . 58 ASP HB2 H 3.07 0.02 2 557 . 58 ASP HB3 H 2.68 0.02 2 558 . 58 ASP C C 178.1 0.20 1 559 . 58 ASP CA C 52.7 0.20 1 560 . 58 ASP CB C 39.7 0.20 1 561 . 58 ASP N N 114.3 0.20 1 562 . 59 GLY H H 7.61 0.02 1 563 . 59 GLY HA2 H 3.94 0.02 2 564 . 59 GLY HA3 H 3.81 0.02 2 565 . 59 GLY C C 175.3 0.20 1 566 . 59 GLY CA C 47.1 0.20 1 567 . 59 GLY N N 108.7 0.20 1 568 . 60 ASN H H 8.20 0.02 1 569 . 60 ASN HA H 4.63 0.02 1 570 . 60 ASN HB2 H 3.32 0.02 2 571 . 60 ASN HB3 H 2.70 0.02 2 572 . 60 ASN C C 177.0 0.20 1 573 . 60 ASN CA C 52.5 0.20 1 574 . 60 ASN CB C 37.2 0.20 1 575 . 60 ASN N N 118.9 0.20 1 576 . 61 GLY H H 10.43 0.02 1 577 . 61 GLY HA2 H 4.26 0.02 2 578 . 61 GLY HA3 H 3.50 0.02 2 579 . 61 GLY C C 173.5 0.20 1 580 . 61 GLY CA C 45.5 0.20 1 581 . 61 GLY N N 112.9 0.20 1 582 . 62 THR H H 7.68 0.02 1 583 . 62 THR HA H 4.82 0.02 1 584 . 62 THR HB H 4.02 0.02 1 585 . 62 THR HG2 H 1.12 0.02 1 586 . 62 THR C C 173.8 0.20 1 587 . 62 THR CA C 59.3 0.20 1 588 . 62 THR CB C 71.9 0.20 1 589 . 62 THR CG2 C 22.5 0.20 1 590 . 62 THR N N 108.5 0.20 1 591 . 63 ILE H H 8.64 0.02 1 592 . 63 ILE HA H 5.04 0.02 1 593 . 63 ILE HB H 2.02 0.02 1 594 . 63 ILE HG12 H 1.62 0.02 1 595 . 63 ILE HG13 H 1.62 0.02 1 596 . 63 ILE HD1 H 0.91 0.02 1 597 . 63 ILE C C 175.7 0.20 1 598 . 63 ILE CA C 60.1 0.20 1 599 . 63 ILE CB C 39.5 0.20 1 600 . 63 ILE CG1 C 27.1 0.20 1 601 . 63 ILE CG2 C 18.2 0.20 1 602 . 63 ILE CD1 C 13.2 0.20 1 603 . 63 ILE N N 123.2 0.20 1 604 . 64 ASP H H 9.13 0.02 1 605 . 64 ASP HA H 5.51 0.02 1 606 . 64 ASP HB2 H 3.05 0.02 2 607 . 64 ASP HB3 H 2.86 0.02 2 608 . 64 ASP C C 176.5 0.20 1 609 . 64 ASP CA C 52.2 0.20 1 610 . 64 ASP CB C 42.3 0.20 1 611 . 64 ASP N N 128.9 0.20 1 612 . 65 PHE H H 8.94 0.02 1 613 . 65 PHE C C 173.9 0.20 1 614 . 65 PHE CA C 62.9 0.20 1 615 . 65 PHE CB C 35.8 0.20 1 616 . 65 PHE N N 119.1 0.20 1 617 . 66 PRO HA H 3.87 0.02 1 618 . 66 PRO HB2 H 2.25 0.02 2 619 . 66 PRO HB3 H 1.91 0.02 2 620 . 66 PRO C C 180.0 0.20 1 621 . 66 PRO CA C 66.6 0.20 1 622 . 66 PRO CB C 30.3 0.20 1 623 . 66 PRO CG C 28.4 0.20 1 624 . 67 GLU H H 8.11 0.02 1 625 . 67 GLU HA H 4.05 0.02 1 626 . 67 GLU HB2 H 2.67 0.02 2 627 . 67 GLU HB3 H 2.09 0.02 2 628 . 67 GLU HG2 H 2.95 0.02 2 629 . 67 GLU HG3 H 2.41 0.02 2 630 . 67 GLU C C 179.6 0.20 1 631 . 67 GLU CA C 58.7 0.20 1 632 . 67 GLU CB C 29.3 0.20 1 633 . 67 GLU CG C 37.2 0.20 1 634 . 67 GLU N N 117.7 0.20 1 635 . 68 PHE H H 8.61 0.02 1 636 . 68 PHE HA H 3.97 0.02 1 637 . 68 PHE HB2 H 3.49 0.02 2 638 . 68 PHE HB3 H 3.16 0.02 2 639 . 68 PHE C C 176.7 0.20 1 640 . 68 PHE CA C 61.2 0.20 1 641 . 68 PHE CB C 40.3 0.20 1 642 . 68 PHE N N 123.5 0.20 1 643 . 69 LEU H H 8.82 0.02 1 644 . 69 LEU HA H 3.26 0.02 1 645 . 69 LEU HB2 H 1.18 0.02 1 646 . 69 LEU HB3 H 1.18 0.02 1 647 . 69 LEU HD1 H 0.55 0.02 1 648 . 69 LEU HD2 H 0.55 0.02 1 649 . 69 LEU C C 178.8 0.20 1 650 . 69 LEU CA C 57.8 0.20 1 651 . 69 LEU CB C 40.7 0.20 1 652 . 69 LEU CG C 24.7 0.20 1 653 . 69 LEU CD1 C 21.6 0.20 1 654 . 69 LEU N N 120.1 0.20 1 655 . 70 THR H H 7.79 0.02 1 656 . 70 THR HA H 4.17 0.02 1 657 . 70 THR HB H 3.70 0.02 1 658 . 70 THR HG2 H 1.17 0.02 1 659 . 70 THR C C 176.4 0.20 1 660 . 70 THR CA C 66.4 0.20 1 661 . 70 THR CB C 67.9 0.20 1 662 . 70 THR CG2 C 21.6 0.20 1 663 . 70 THR N N 115.0 0.20 1 664 . 71 MET H H 7.46 0.02 1 665 . 71 MET HA H 3.93 0.02 1 666 . 71 MET HB2 H 2.08 0.02 1 667 . 71 MET HB3 H 2.08 0.02 1 668 . 71 MET HG2 H 2.43 0.02 2 669 . 71 MET HG3 H 2.18 0.02 2 670 . 71 MET C C 177.9 0.20 1 671 . 71 MET CA C 58.5 0.20 1 672 . 71 MET CB C 32.0 0.20 1 673 . 71 MET CG C 31.4 0.20 1 674 . 71 MET N N 120.2 0.20 1 675 . 72 MET H H 7.86 0.02 1 676 . 72 MET HA H 4.05 0.02 1 677 . 72 MET HB2 H 1.98 0.02 2 678 . 72 MET HB3 H 1.30 0.02 2 679 . 72 MET HG2 H 1.62 0.02 2 680 . 72 MET HG3 H 1.51 0.02 2 681 . 72 MET C C 178.2 0.20 1 682 . 72 MET CA C 55.3 0.20 1 683 . 72 MET CB C 30.1 0.20 1 684 . 72 MET CG C 32.0 0.20 1 685 . 72 MET N N 115.9 0.20 1 686 . 73 ALA H H 8.06 0.02 1 687 . 73 ALA HA H 4.21 0.02 1 688 . 73 ALA HB H 1.31 0.02 1 689 . 73 ALA C C 178.2 0.20 1 690 . 73 ALA CA C 52.9 0.20 1 691 . 73 ALA CB C 18.5 0.20 1 692 . 73 ALA N N 121.1 0.20 1 693 . 74 ARG H H 7.19 0.02 1 694 . 74 ARG HA H 4.05 0.02 1 695 . 74 ARG HB2 H 1.80 0.02 1 696 . 74 ARG HB3 H 1.80 0.02 1 697 . 74 ARG C C 176.9 0.20 1 698 . 74 ARG CA C 57.2 0.20 1 699 . 74 ARG CB C 30.5 0.20 1 700 . 74 ARG N N 118.3 0.20 1 701 . 75 LYS HA H 4.32 0.02 1 702 . 75 LYS HB2 H 1.79 0.02 1 703 . 75 LYS HB3 H 1.79 0.02 1 704 . 75 LYS HG2 H 1.47 0.02 1 705 . 75 LYS HG3 H 1.47 0.02 1 706 . 75 LYS HD2 H 1.67 0.02 1 707 . 75 LYS HD3 H 1.67 0.02 1 708 . 75 LYS HE2 H 3.01 0.02 1 709 . 75 LYS HE3 H 3.01 0.02 1 710 . 75 LYS C C 176.7 0.20 1 711 . 75 LYS CA C 56.2 0.20 1 712 . 75 LYS CB C 32.3 0.20 1 713 . 75 LYS CG C 24.9 0.20 1 714 . 75 LYS CD C 28.7 0.20 1 715 . 75 LYS CE C 42.0 0.20 1 716 . 76 MET H H 8.33 0.02 1 717 . 76 MET HA H 4.63 0.02 1 718 . 76 MET HB2 H 2.15 0.02 2 719 . 76 MET HB3 H 2.00 0.02 2 720 . 76 MET HG2 H 2.56 0.02 1 721 . 76 MET HG3 H 2.56 0.02 1 722 . 76 MET C C 176.7 0.20 1 723 . 76 MET CA C 54.6 0.20 1 724 . 76 MET CB C 33.1 0.20 1 725 . 76 MET CG C 31.8 0.20 1 726 . 76 MET N N 122.3 0.20 1 727 . 77 LYS H H 8.54 0.02 1 728 . 77 LYS HA H 4.37 0.02 1 729 . 77 LYS HB2 H 1.84 0.02 2 730 . 77 LYS HB3 H 1.93 0.02 2 731 . 77 LYS HG2 H 1.54 0.02 1 732 . 77 LYS HG3 H 1.54 0.02 1 733 . 77 LYS HD2 H 1.77 0.02 1 734 . 77 LYS HD3 H 1.77 0.02 1 735 . 77 LYS C C 178.3 0.20 1 736 . 77 LYS CA C 56.4 0.20 1 737 . 77 LYS CB C 32.9 0.20 1 738 . 77 LYS CG C 25.0 0.20 1 739 . 77 LYS CD C 29.2 0.20 1 740 . 77 LYS CE C 42.2 0.20 1 741 . 77 LYS N N 122.1 0.20 1 742 . 78 ASP H H 8.55 0.02 1 743 . 78 ASP HA H 4.57 0.02 1 744 . 78 ASP C C 177.4 0.20 1 745 . 78 ASP CA C 56.1 0.20 1 746 . 78 ASP CB C 40.2 0.20 1 747 . 78 ASP N N 122.1 0.20 1 748 . 79 THR HA H 4.25 0.02 1 749 . 79 THR HB H 4.25 0.02 1 750 . 79 THR HG2 H 1.25 0.02 1 751 . 79 THR C C 175.5 0.20 1 752 . 79 THR CA C 63.3 0.20 1 753 . 79 THR CG2 C 21.9 0.20 1 754 . 80 ASP H H 7.63 0.02 1 755 . 80 ASP HA H 4.60 0.02 1 756 . 80 ASP HB2 H 2.74 0.02 1 757 . 80 ASP HB3 H 2.74 0.02 1 758 . 80 ASP C C 177.6 0.20 1 759 . 80 ASP CA C 55.5 0.20 1 760 . 80 ASP CB C 41.2 0.20 1 761 . 80 ASP N N 122.7 0.20 1 762 . 81 SER H H 8.33 0.02 1 763 . 81 SER HA H 4.15 0.02 1 764 . 81 SER HB2 H 3.95 0.02 1 765 . 81 SER HB3 H 3.95 0.02 1 766 . 81 SER C C 176.8 0.20 1 767 . 81 SER CA C 60.9 0.20 1 768 . 81 SER CB C 62.2 0.20 1 769 . 81 SER N N 116.3 0.20 1 770 . 82 GLU H H 8.26 0.02 1 771 . 82 GLU HA H 4.09 0.02 1 772 . 82 GLU HB2 H 2.15 0.02 1 773 . 82 GLU HB3 H 2.15 0.02 1 774 . 82 GLU HG2 H 2.38 0.02 1 775 . 82 GLU HG3 H 2.38 0.02 1 776 . 82 GLU C C 178.8 0.20 1 777 . 82 GLU CA C 59.2 0.20 1 778 . 82 GLU CB C 28.9 0.20 1 779 . 82 GLU CG C 36.3 0.20 1 780 . 82 GLU N N 121.2 0.20 1 781 . 83 GLU H H 7.94 0.02 1 782 . 83 GLU HA H 4.12 0.02 1 783 . 83 GLU HB2 H 2.13 0.02 1 784 . 83 GLU HB3 H 2.13 0.02 1 785 . 83 GLU HG2 H 2.48 0.02 2 786 . 83 GLU HG3 H 2.36 0.02 2 787 . 83 GLU C C 179.2 0.20 1 788 . 83 GLU CA C 59.1 0.20 1 789 . 83 GLU CB C 29.1 0.20 1 790 . 83 GLU CG C 36.3 0.20 1 791 . 83 GLU N N 118.7 0.20 1 792 . 84 GLU H H 7.96 0.02 1 793 . 84 GLU HA H 3.88 0.02 1 794 . 84 GLU HB2 H 2.35 0.02 2 795 . 84 GLU HB3 H 1.91 0.02 2 796 . 84 GLU HG2 H 2.62 0.02 2 797 . 84 GLU HG3 H 2.17 0.02 2 798 . 84 GLU C C 178.7 0.20 1 799 . 84 GLU CA C 59.3 0.20 1 800 . 84 GLU CB C 29.5 0.20 1 801 . 84 GLU CG C 36.9 0.20 1 802 . 84 GLU N N 117.7 0.20 1 803 . 85 ILE H H 7.70 0.02 1 804 . 85 ILE HA H 3.91 0.02 1 805 . 85 ILE HB H 2.29 0.02 1 806 . 85 ILE HG12 H 1.84 0.02 2 807 . 85 ILE HG13 H 1.15 0.02 2 808 . 85 ILE HG2 H 1.15 0.02 1 809 . 85 ILE C C 178.3 0.20 1 810 . 85 ILE CA C 64.5 0.20 1 811 . 85 ILE CB C 36.6 0.20 1 812 . 85 ILE CG1 C 29.1 0.20 1 813 . 85 ILE CG2 C 19.2 0.20 1 814 . 85 ILE CD1 C 12.4 0.20 1 815 . 85 ILE N N 119.6 0.20 1 816 . 86 ARG H H 8.57 0.02 1 817 . 86 ARG HA H 4.18 0.02 1 818 . 86 ARG HB2 H 2.12 0.02 2 819 . 86 ARG HB3 H 1.98 0.02 2 820 . 86 ARG HG2 H 1.57 0.02 1 821 . 86 ARG HG3 H 1.57 0.02 1 822 . 86 ARG HD2 H 3.01 0.02 1 823 . 86 ARG HD3 H 3.01 0.02 1 824 . 86 ARG C C 179.4 0.20 1 825 . 86 ARG CA C 60.0 0.20 1 826 . 86 ARG CB C 29.6 0.20 1 827 . 86 ARG CG C 27.1 0.20 1 828 . 86 ARG CD C 43.0 0.20 1 829 . 86 ARG N N 122.1 0.20 1 830 . 87 GLU H H 8.26 0.02 1 831 . 87 GLU HA H 4.25 0.02 1 832 . 87 GLU HB2 H 2.18 0.02 1 833 . 87 GLU HB3 H 2.18 0.02 1 834 . 87 GLU HG2 H 2.55 0.02 1 835 . 87 GLU HG3 H 2.55 0.02 1 836 . 87 GLU C C 179.6 0.20 1 837 . 87 GLU CA C 58.4 0.20 1 838 . 87 GLU CB C 28.7 0.20 1 839 . 87 GLU CG C 35.7 0.20 1 840 . 87 GLU N N 117.4 0.20 1 841 . 88 ALA H H 8.10 0.02 1 842 . 88 ALA HA H 3.90 0.02 1 843 . 88 ALA HB H 1.67 0.02 1 844 . 88 ALA C C 178.3 0.20 1 845 . 88 ALA CA C 55.3 0.20 1 846 . 88 ALA CB C 17.4 0.20 1 847 . 88 ALA N N 120.7 0.20 1 848 . 89 PHE H H 8.61 0.02 1 849 . 89 PHE HA H 3.34 0.02 1 850 . 89 PHE HB2 H 3.12 0.02 2 851 . 89 PHE HB3 H 2.97 0.02 2 852 . 89 PHE C C 176.5 0.20 1 853 . 89 PHE CA C 62.3 0.20 1 854 . 89 PHE CB C 38.6 0.20 1 855 . 89 PHE N N 118.4 0.20 1 856 . 90 ARG H H 7.83 0.02 1 857 . 90 ARG HA H 3.92 0.02 1 858 . 90 ARG HB2 H 1.99 0.02 1 859 . 90 ARG HB3 H 1.99 0.02 1 860 . 90 ARG HG2 H 1.96 0.02 2 861 . 90 ARG HG3 H 1.71 0.02 2 862 . 90 ARG HD2 H 3.22 0.02 1 863 . 90 ARG HD3 H 3.22 0.02 1 864 . 90 ARG C C 178.7 0.20 1 865 . 90 ARG CA C 58.9 0.20 1 866 . 90 ARG CB C 30.0 0.20 1 867 . 90 ARG CG C 27.6 0.20 1 868 . 90 ARG CD C 43.5 0.20 1 869 . 90 ARG N N 115.7 0.20 1 870 . 91 VAL H H 7.49 0.02 1 871 . 91 VAL HA H 3.59 0.02 1 872 . 91 VAL HB H 2.24 0.02 1 873 . 91 VAL HG1 H 0.99 0.02 2 874 . 91 VAL HG2 H 0.80 0.02 2 875 . 91 VAL C C 177.3 0.20 1 876 . 91 VAL CA C 65.3 0.20 1 877 . 91 VAL CB C 30.9 0.20 1 878 . 91 VAL CG1 C 22.3 0.20 1 879 . 91 VAL N N 117.4 0.20 1 880 . 92 PHE H H 7.45 0.02 1 881 . 92 PHE HA H 4.24 0.02 1 882 . 92 PHE HB2 H 2.71 0.02 1 883 . 92 PHE HB3 H 2.71 0.02 1 884 . 92 PHE C C 176.8 0.20 1 885 . 92 PHE CA C 59.5 0.20 1 886 . 92 PHE CB C 39.8 0.20 1 887 . 92 PHE N N 116.4 0.20 1 888 . 93 ASP H H 7.81 0.02 1 889 . 93 ASP HA H 4.55 0.02 1 890 . 93 ASP HB2 H 2.39 0.02 2 891 . 93 ASP HB3 H 1.43 0.02 2 892 . 93 ASP C C 177.6 0.20 1 893 . 93 ASP CA C 52.1 0.20 1 894 . 93 ASP CB C 37.9 0.20 1 895 . 93 ASP N N 116.6 0.20 1 896 . 94 LYS H H 7.79 0.02 1 897 . 94 LYS HA H 3.96 0.02 1 898 . 94 LYS HB2 H 1.89 0.02 1 899 . 94 LYS HB3 H 1.89 0.02 1 900 . 94 LYS HG2 H 1.53 0.02 1 901 . 94 LYS HG3 H 1.53 0.02 1 902 . 94 LYS HD2 H 1.67 0.02 1 903 . 94 LYS HD3 H 1.67 0.02 1 904 . 94 LYS HE2 H 2.91 0.02 1 905 . 94 LYS HE3 H 2.91 0.02 1 906 . 94 LYS C C 178.4 0.20 1 907 . 94 LYS CA C 58.9 0.20 1 908 . 94 LYS CB C 32.4 0.20 1 909 . 94 LYS CG C 24.0 0.20 1 910 . 94 LYS CD C 28.1 0.20 1 911 . 94 LYS CE C 41.7 0.20 1 912 . 94 LYS N N 126.5 0.20 1 913 . 95 ASP H H 8.17 0.02 1 914 . 95 ASP HA H 4.58 0.02 1 915 . 95 ASP HB2 H 3.10 0.02 2 916 . 95 ASP HB3 H 2.67 0.02 2 917 . 95 ASP C C 177.8 0.20 1 918 . 95 ASP CA C 52.8 0.20 1 919 . 95 ASP CB C 39.4 0.20 1 920 . 95 ASP N N 113.9 0.20 1 921 . 96 GLY H H 7.83 0.02 1 922 . 96 GLY HA2 H 4.32 0.02 2 923 . 96 GLY HA3 H 3.86 0.02 2 924 . 96 GLY C C 175.3 0.20 1 925 . 96 GLY CA C 47.0 0.20 1 926 . 96 GLY N N 109.3 0.20 1 927 . 97 ASN H H 8.33 0.02 1 928 . 97 ASN HA H 4.66 0.02 1 929 . 97 ASN HB2 H 3.44 0.02 2 930 . 97 ASN HB3 H 2.69 0.02 2 931 . 97 ASN C C 176.2 0.20 1 932 . 97 ASN CA C 52.5 0.20 1 933 . 97 ASN CB C 38.0 0.20 1 934 . 97 ASN N N 119.4 0.20 1 935 . 98 GLY H H 10.70 0.02 1 936 . 98 GLY HA2 H 4.80 0.02 2 937 . 98 GLY HA3 H 3.46 0.02 2 938 . 98 GLY C C 172.7 0.20 1 939 . 98 GLY CA C 44.9 0.20 1 940 . 98 GLY N N 112.9 0.20 1 941 . 99 TYR H H 7.64 0.02 1 942 . 99 TYR HA H 5.07 0.02 1 943 . 99 TYR HB2 H 2.53 0.02 1 944 . 99 TYR HB3 H 2.53 0.02 1 945 . 99 TYR C C 174.9 0.20 1 946 . 99 TYR CA C 55.9 0.20 1 947 . 99 TYR CB C 42.7 0.20 1 948 . 99 TYR N N 115.8 0.20 1 949 . 100 ILE H H 10.09 0.02 1 950 . 100 ILE HA H 5.80 0.02 1 951 . 100 ILE HB H 1.82 0.02 1 952 . 100 ILE HG12 H 1.16 0.02 1 953 . 100 ILE HG13 H 1.16 0.02 1 954 . 100 ILE HD1 H 0.32 0.02 1 955 . 100 ILE C C 175.8 0.20 1 956 . 100 ILE CA C 60.5 0.20 1 957 . 100 ILE CB C 38.6 0.20 1 958 . 100 ILE CG1 C 27.0 0.20 1 959 . 100 ILE CG2 C 17.8 0.20 1 960 . 100 ILE CD1 C 15.2 0.20 1 961 . 100 ILE N N 127.1 0.20 1 962 . 101 SER H H 9.02 0.02 1 963 . 101 SER HA H 4.85 0.02 1 964 . 101 SER HB2 H 4.46 0.02 2 965 . 101 SER HB3 H 4.01 0.02 2 966 . 101 SER C C 175.4 0.20 1 967 . 101 SER CA C 55.7 0.20 1 968 . 101 SER CB C 66.3 0.20 1 969 . 101 SER N N 124.0 0.20 1 970 . 102 ALA H H 9.25 0.02 1 971 . 102 ALA HA H 3.94 0.02 1 972 . 102 ALA HB H 1.48 0.02 1 973 . 102 ALA C C 179.5 0.20 1 974 . 102 ALA CA C 55.8 0.20 1 975 . 102 ALA CB C 17.8 0.20 1 976 . 102 ALA N N 123.1 0.20 1 977 . 103 ALA H H 8.20 0.02 1 978 . 103 ALA HA H 4.06 0.02 1 979 . 103 ALA HB H 1.45 0.02 1 980 . 103 ALA C C 181.6 0.20 1 981 . 103 ALA CA C 55.0 0.20 1 982 . 103 ALA CB C 18.1 0.20 1 983 . 103 ALA N N 118.3 0.20 1 984 . 104 GLU H H 7.89 0.02 1 985 . 104 GLU HA H 4.03 0.02 1 986 . 104 GLU HB2 H 2.57 0.02 1 987 . 104 GLU HB3 H 2.57 0.02 1 988 . 104 GLU HG2 H 2.58 0.02 2 989 . 104 GLU HG3 H 2.38 0.02 2 990 . 104 GLU C C 179.2 0.20 1 991 . 104 GLU CA C 59.4 0.20 1 992 . 104 GLU CB C 29.0 0.20 1 993 . 104 GLU CG C 37.9 0.20 1 994 . 104 GLU N N 119.9 0.20 1 995 . 105 LEU H H 8.59 0.02 1 996 . 105 LEU HA H 4.10 0.02 1 997 . 105 LEU HB2 H 1.93 0.02 2 998 . 105 LEU HB3 H 1.56 0.02 2 999 . 105 LEU HD1 H 0.85 0.02 1 1000 . 105 LEU C C 178.7 0.20 1 1001 . 105 LEU CA C 58.4 0.20 1 1002 . 105 LEU CB C 41.8 0.20 1 1003 . 105 LEU CG C 25.8 0.20 1 1004 . 105 LEU CD1 C 23.9 0.20 1 1005 . 105 LEU N N 120.2 0.20 1 1006 . 106 ARG H H 8.63 0.02 1 1007 . 106 ARG HA H 3.82 0.02 1 1008 . 106 ARG HB2 H 1.98 0.02 1 1009 . 106 ARG HB3 H 1.98 0.02 1 1010 . 106 ARG HG2 H 1.71 0.02 1 1011 . 106 ARG HG3 H 1.71 0.02 1 1012 . 106 ARG HD2 H 3.26 0.02 1 1013 . 106 ARG HD3 H 3.26 0.02 1 1014 . 106 ARG C C 179.0 0.20 1 1015 . 106 ARG CA C 59.9 0.20 1 1016 . 106 ARG CB C 30.4 0.20 1 1017 . 106 ARG CG C 28.1 0.20 1 1018 . 106 ARG CD C 43.6 0.20 1 1019 . 106 ARG N N 117.6 0.20 1 1020 . 107 HIS H H 8.04 0.02 1 1021 . 107 HIS HA H 4.33 0.02 1 1022 . 107 HIS HB2 H 3.32 0.02 1 1023 . 107 HIS HB3 H 3.32 0.02 1 1024 . 107 HIS C C 178.1 0.20 1 1025 . 107 HIS CA C 59.8 0.20 1 1026 . 107 HIS CB C 30.5 0.20 1 1027 . 107 HIS N N 119.2 0.20 1 1028 . 108 VAL H H 8.20 0.02 1 1029 . 108 VAL HA H 3.47 0.02 1 1030 . 108 VAL HB H 1.91 0.02 1 1031 . 108 VAL HG1 H 0.91 0.02 2 1032 . 108 VAL HG2 H 0.89 0.02 2 1033 . 108 VAL C C 178.3 0.20 1 1034 . 108 VAL CA C 66.6 0.20 1 1035 . 108 VAL CB C 30.8 0.20 1 1036 . 108 VAL CG1 C 23.6 0.20 1 1037 . 108 VAL CG2 C 20.4 0.20 1 1038 . 108 VAL N N 118.9 0.20 1 1039 . 109 MET H H 8.30 0.02 1 1040 . 109 MET HA H 4.26 0.02 1 1041 . 109 MET HB2 H 2.32 0.02 2 1042 . 109 MET HB3 H 2.01 0.02 2 1043 . 109 MET HG2 H 2.84 0.02 2 1044 . 109 MET HG3 H 2.67 0.02 2 1045 . 109 MET C C 179.2 0.20 1 1046 . 109 MET CA C 57.7 0.20 1 1047 . 109 MET CB C 30.4 0.20 1 1048 . 109 MET CG C 33.7 0.20 1 1049 . 109 MET N N 115.6 0.20 1 1050 . 110 THR H H 8.08 0.02 1 1051 . 110 THR HA H 4.27 0.02 1 1052 . 110 THR HB H 4.01 0.02 1 1053 . 110 THR HG2 H 1.23 0.02 1 1054 . 110 THR C C 178.3 0.20 1 1055 . 110 THR CA C 66.6 0.20 1 1056 . 110 THR CB C 68.1 0.20 1 1057 . 110 THR CG2 C 21.4 0.20 1 1058 . 110 THR N N 115.4 0.20 1 1059 . 111 ASN H H 7.65 0.02 1 1060 . 111 ASN HA H 4.51 0.02 1 1061 . 111 ASN HB2 H 2.70 0.02 1 1062 . 111 ASN HB3 H 2.70 0.02 1 1063 . 111 ASN C C 175.9 0.20 1 1064 . 111 ASN CA C 55.8 0.20 1 1065 . 111 ASN CB C 38.0 0.20 1 1066 . 111 ASN N N 122.2 0.20 1 1067 . 112 LEU H H 7.81 0.02 1 1068 . 112 LEU HA H 4.38 0.02 1 1069 . 112 LEU HB2 H 1.87 0.02 2 1070 . 112 LEU HB3 H 1.74 0.02 2 1071 . 112 LEU HD1 H 0.78 0.02 1 1072 . 112 LEU C C 176.8 0.20 1 1073 . 112 LEU CA C 54.4 0.20 1 1074 . 112 LEU CB C 41.3 0.20 1 1075 . 112 LEU CG C 25.6 0.20 1 1076 . 112 LEU CD1 C 23.5 0.20 1 1077 . 112 LEU N N 118.4 0.20 1 1078 . 113 GLY H H 7.83 0.02 1 1079 . 113 GLY HA2 H 3.76 0.02 1 1080 . 113 GLY HA3 H 3.76 0.02 1 1081 . 113 GLY C C 174.3 0.20 1 1082 . 113 GLY CA C 45.8 0.20 1 1083 . 113 GLY N N 107.6 0.20 1 1084 . 114 GLU H H 7.87 0.02 1 1085 . 114 GLU HA H 4.39 0.02 1 1086 . 114 GLU HB2 H 1.90 0.02 2 1087 . 114 GLU HB3 H 1.64 0.02 2 1088 . 114 GLU HG2 H 2.08 0.02 1 1089 . 114 GLU C C 175.1 0.20 1 1090 . 114 GLU CA C 60.0 0.20 1 1091 . 114 GLU CB C 30.3 0.20 1 1092 . 114 GLU CG C 35.4 0.20 1 1093 . 114 GLU N N 119.3 0.20 1 1094 . 115 LYS H H 8.56 0.02 1 1095 . 115 LYS HA H 4.34 0.02 1 1096 . 115 LYS HB2 H 1.75 0.02 2 1097 . 115 LYS HB3 H 1.67 0.02 2 1098 . 115 LYS HG2 H 1.33 0.02 1 1099 . 115 LYS HG3 H 1.33 0.02 1 1100 . 115 LYS HD2 H 1.66 0.02 1 1101 . 115 LYS HD3 H 1.66 0.02 1 1102 . 115 LYS HE2 H 2.98 0.02 1 1103 . 115 LYS HE3 H 2.98 0.02 1 1104 . 115 LYS C C 175.6 0.20 1 1105 . 115 LYS CA C 55.4 0.20 1 1106 . 115 LYS CB C 31.4 0.20 1 1107 . 115 LYS CG C 24.5 0.20 1 1108 . 115 LYS CD C 29.1 0.20 1 1109 . 115 LYS CE C 42.1 0.20 1 1110 . 115 LYS N N 124.8 0.20 1 1111 . 116 LEU H H 8.09 0.02 1 1112 . 116 LEU HA H 4.79 0.02 1 1113 . 116 LEU HB2 H 1.53 0.02 1 1114 . 116 LEU HB3 H 1.53 0.02 1 1115 . 116 LEU HD1 H 0.78 0.02 1 1116 . 116 LEU C C 178.2 0.20 1 1117 . 116 LEU CA C 53.8 0.20 1 1118 . 116 LEU CB C 44.3 0.20 1 1119 . 116 LEU CG C 26.7 0.20 1 1120 . 116 LEU CD1 C 23.9 0.20 1 1121 . 116 LEU N N 125.5 0.20 1 1122 . 117 THR H H 9.20 0.02 1 1123 . 117 THR HA H 4.76 0.02 1 1124 . 117 THR HB H 4.47 0.02 1 1125 . 117 THR HG2 H 1.34 0.02 1 1126 . 117 THR C C 175.4 0.20 1 1127 . 117 THR CA C 60.6 0.20 1 1128 . 117 THR CB C 70.6 0.20 1 1129 . 117 THR CG2 C 21.8 0.20 1 1130 . 117 THR N N 114.7 0.20 1 1131 . 118 ASP H H 8.83 0.02 1 1132 . 118 ASP HA H 4.23 0.02 1 1133 . 118 ASP HB2 H 2.75 0.02 2 1134 . 118 ASP HB3 H 2.62 0.02 2 1135 . 118 ASP C C 178.8 0.20 1 1136 . 118 ASP CA C 57.8 0.20 1 1137 . 118 ASP CB C 39.5 0.20 1 1138 . 118 ASP N N 121.1 0.20 1 1139 . 119 GLU H H 8.61 0.02 1 1140 . 119 GLU HA H 4.11 0.02 1 1141 . 119 GLU HB2 H 2.06 0.02 2 1142 . 119 GLU HB3 H 1.98 0.02 2 1143 . 119 GLU HG2 H 2.37 0.02 1 1144 . 119 GLU HG3 H 2.37 0.02 1 1145 . 119 GLU C C 179.3 0.20 1 1146 . 119 GLU CA C 59.7 0.20 1 1147 . 119 GLU CB C 28.9 0.20 1 1148 . 119 GLU CG C 36.6 0.20 1 1149 . 119 GLU N N 119.1 0.20 1 1150 . 120 GLU H H 7.78 0.02 1 1151 . 120 GLU HA H 4.02 0.02 1 1152 . 120 GLU HB2 H 2.42 0.02 2 1153 . 120 GLU HB3 H 1.89 0.02 2 1154 . 120 GLU HG2 H 2.21 0.02 1 1155 . 120 GLU HG3 H 2.21 0.02 1 1156 . 120 GLU C C 180.1 0.20 1 1157 . 120 GLU CA C 59.1 0.20 1 1158 . 120 GLU CB C 30.3 0.20 1 1159 . 120 GLU CG C 37.9 0.20 1 1160 . 120 GLU N N 120.4 0.20 1 1161 . 121 VAL H H 8.10 0.02 1 1162 . 121 VAL HA H 3.54 0.02 1 1163 . 121 VAL HB H 2.23 0.02 1 1164 . 121 VAL HG1 H 0.99 0.02 1 1165 . 121 VAL HG2 H 0.99 0.02 1 1166 . 121 VAL C C 177.3 0.20 1 1167 . 121 VAL CA C 66.9 0.20 1 1168 . 121 VAL CB C 30.8 0.20 1 1169 . 121 VAL CG1 C 24.1 0.20 1 1170 . 121 VAL CG2 C 21.8 0.20 1 1171 . 121 VAL N N 120.9 0.20 1 1172 . 122 ASP H H 8.03 0.02 1 1173 . 122 ASP HA H 4.34 0.02 1 1174 . 122 ASP HB2 H 2.78 0.02 2 1175 . 122 ASP HB3 H 2.65 0.02 2 1176 . 122 ASP C C 179.2 0.20 1 1177 . 122 ASP CA C 57.5 0.20 1 1178 . 122 ASP CB C 40.5 0.20 1 1179 . 122 ASP N N 119.4 0.20 1 1180 . 123 GLU H H 8.12 0.02 1 1181 . 123 GLU HA H 3.98 0.02 1 1182 . 123 GLU HB2 H 2.11 0.02 1 1183 . 123 GLU HB3 H 2.11 0.02 1 1184 . 123 GLU HG2 H 2.31 0.02 1 1185 . 123 GLU HG3 H 2.31 0.02 1 1186 . 123 GLU C C 178.2 0.20 1 1187 . 123 GLU CA C 59.2 0.20 1 1188 . 123 GLU CB C 29.4 0.20 1 1189 . 123 GLU CG C 36.0 0.20 1 1190 . 123 GLU N N 119.2 0.20 1 1191 . 124 MET H H 7.80 0.02 1 1192 . 124 MET HA H 4.08 0.02 1 1193 . 124 MET HB2 H 2.25 0.02 1 1194 . 124 MET HB3 H 2.25 0.02 1 1195 . 124 MET HG2 H 2.69 0.02 2 1196 . 124 MET HG3 H 2.43 0.02 2 1197 . 124 MET C C 179.1 0.20 1 1198 . 124 MET CA C 59.1 0.20 1 1199 . 124 MET CB C 32.6 0.20 1 1200 . 124 MET CG C 32.3 0.20 1 1201 . 124 MET N N 119.3 0.20 1 1202 . 125 ILE H H 8.00 0.02 1 1203 . 125 ILE HA H 3.47 0.02 1 1204 . 125 ILE HB H 2.11 0.02 1 1205 . 125 ILE HG12 H 1.57 0.02 2 1206 . 125 ILE HG13 H 1.21 0.02 2 1207 . 125 ILE C C 177.4 0.20 1 1208 . 125 ILE CA C 64.1 0.20 1 1209 . 125 ILE CB C 36.2 0.20 1 1210 . 125 ILE CG1 C 28.4 0.20 1 1211 . 125 ILE CG2 C 16.2 0.20 1 1212 . 125 ILE CD1 C 11.0 0.20 1 1213 . 125 ILE N N 118.1 0.20 1 1214 . 126 ARG H H 8.37 0.02 1 1215 . 126 ARG HA H 4.04 0.02 1 1216 . 126 ARG HB2 H 1.92 0.02 1 1217 . 126 ARG HB3 H 1.92 0.02 1 1218 . 126 ARG HG2 H 1.83 0.02 2 1219 . 126 ARG HG3 H 1.66 0.02 2 1220 . 126 ARG HD2 H 3.22 0.02 1 1221 . 126 ARG HD3 H 3.22 0.02 1 1222 . 126 ARG C C 179.5 0.20 1 1223 . 126 ARG CA C 59.6 0.20 1 1224 . 126 ARG CB C 29.9 0.20 1 1225 . 126 ARG CG C 27.8 0.20 1 1226 . 126 ARG CD C 43.4 0.20 1 1227 . 126 ARG N N 118.3 0.20 1 1228 . 127 GLU H H 7.94 0.02 1 1229 . 127 GLU HA H 4.01 0.02 1 1230 . 127 GLU HB2 H 2.06 0.02 1 1231 . 127 GLU HB3 H 2.06 0.02 1 1232 . 127 GLU HG2 H 2.44 0.02 2 1233 . 127 GLU HG3 H 2.28 0.02 2 1234 . 127 GLU C C 177.4 0.20 1 1235 . 127 GLU CA C 58.4 0.20 1 1236 . 127 GLU CB C 29.5 0.20 1 1237 . 127 GLU CG C 36.3 0.20 1 1238 . 127 GLU N N 116.3 0.20 1 1239 . 128 ALA H H 7.36 0.02 1 1240 . 128 ALA HA H 4.45 0.02 1 1241 . 128 ALA HB H 1.41 0.02 1 1242 . 128 ALA C C 178.0 0.20 1 1243 . 128 ALA CA C 51.9 0.20 1 1244 . 128 ALA CB C 20.5 0.20 1 1245 . 128 ALA N N 119.0 0.20 1 1246 . 129 ASP H H 7.96 0.02 1 1247 . 129 ASP HA H 4.51 0.02 1 1248 . 129 ASP HB2 H 2.87 0.02 2 1249 . 129 ASP HB3 H 2.53 0.02 2 1250 . 129 ASP C C 176.2 0.20 1 1251 . 129 ASP CA C 54.1 0.20 1 1252 . 129 ASP CB C 40.2 0.20 1 1253 . 129 ASP N N 117.6 0.20 1 1254 . 130 ILE H H 8.46 0.02 1 1255 . 130 ILE HA H 3.94 0.02 1 1256 . 130 ILE HB H 2.01 0.02 1 1257 . 130 ILE HG12 H 1.71 0.02 2 1258 . 130 ILE HG13 H 1.34 0.02 2 1259 . 130 ILE C C 178.0 0.20 1 1260 . 130 ILE CA C 63.1 0.20 1 1261 . 130 ILE CB C 38.3 0.20 1 1262 . 130 ILE CG1 C 27.8 0.20 1 1263 . 130 ILE CG2 C 17.2 0.20 1 1264 . 130 ILE CD1 C 12.3 0.20 1 1265 . 130 ILE N N 128.0 0.20 1 1266 . 131 ASP H H 8.29 0.02 1 1267 . 131 ASP HA H 4.57 0.02 1 1268 . 131 ASP HB2 H 3.09 0.02 2 1269 . 131 ASP HB3 H 2.66 0.02 2 1270 . 131 ASP C C 178.5 0.20 1 1271 . 131 ASP CA C 53.7 0.20 1 1272 . 131 ASP CB C 39.7 0.20 1 1273 . 131 ASP N N 116.8 0.20 1 1274 . 132 GLY H H 7.59 0.02 1 1275 . 132 GLY HA2 H 4.00 0.02 2 1276 . 132 GLY HA3 H 3.82 0.02 2 1277 . 132 GLY C C 175.5 0.20 1 1278 . 132 GLY CA C 47.3 0.20 1 1279 . 132 GLY N N 108.5 0.20 1 1280 . 133 ASP H H 8.34 0.02 1 1281 . 133 ASP HA H 4.49 0.02 1 1282 . 133 ASP HB2 H 2.96 0.02 2 1283 . 133 ASP HB3 H 2.51 0.02 2 1284 . 133 ASP C C 177.8 0.20 1 1285 . 133 ASP CA C 53.5 0.20 1 1286 . 133 ASP CB C 39.9 0.20 1 1287 . 133 ASP N N 120.8 0.20 1 1288 . 134 GLY H H 10.33 0.02 1 1289 . 134 GLY HA2 H 4.05 0.02 2 1290 . 134 GLY HA3 H 3.43 0.02 2 1291 . 134 GLY C C 173.0 0.20 1 1292 . 134 GLY CA C 45.6 0.20 1 1293 . 134 GLY N N 112.8 0.20 1 1294 . 135 GLN H H 8.01 0.02 1 1295 . 135 GLN HA H 4.86 0.02 1 1296 . 135 GLN HB2 H 2.02 0.02 2 1297 . 135 GLN HB3 H 1.71 0.02 2 1298 . 135 GLN HG2 H 1.96 0.02 1 1299 . 135 GLN HG3 H 1.96 0.02 1 1300 . 135 GLN C C 175.0 0.20 1 1301 . 135 GLN CA C 53.0 0.20 1 1302 . 135 GLN CB C 32.0 0.20 1 1303 . 135 GLN CG C 32.5 0.20 1 1304 . 135 GLN N N 115.4 0.20 1 1305 . 136 VAL H H 9.09 0.02 1 1306 . 136 VAL HA H 5.18 0.02 1 1307 . 136 VAL HB H 2.30 0.02 1 1308 . 136 VAL HG1 H 1.28 0.02 2 1309 . 136 VAL HG2 H 0.91 0.02 2 1310 . 136 VAL C C 176.0 0.20 1 1311 . 136 VAL CA C 61.5 0.20 1 1312 . 136 VAL CB C 33.3 0.20 1 1313 . 136 VAL CG1 C 22.0 0.20 1 1314 . 136 VAL N N 125.3 0.20 1 1315 . 137 ASN H H 9.63 0.02 1 1316 . 137 ASN HA H 5.30 0.02 1 1317 . 137 ASN HB2 H 3.27 0.02 1 1318 . 137 ASN HB3 H 3.27 0.02 1 1319 . 137 ASN C C 175.1 0.20 1 1320 . 137 ASN CA C 51.0 0.20 1 1321 . 137 ASN CB C 37.9 0.20 1 1322 . 137 ASN N N 129.1 0.20 1 1323 . 138 TYR H H 8.44 0.02 1 1324 . 138 TYR HA H 3.39 0.02 1 1325 . 138 TYR HB2 H 2.40 0.02 2 1326 . 138 TYR HB3 H 2.06 0.02 2 1327 . 138 TYR C C 176.3 0.20 1 1328 . 138 TYR CA C 62.5 0.20 1 1329 . 138 TYR CB C 37.5 0.20 1 1330 . 138 TYR N N 118.6 0.20 1 1331 . 139 GLU H H 8.09 0.02 1 1332 . 139 GLU HA H 3.63 0.02 1 1333 . 139 GLU HB2 H 2.09 0.02 2 1334 . 139 GLU HB3 H 1.98 0.02 2 1335 . 139 GLU HG2 H 2.34 0.02 1 1336 . 139 GLU HG3 H 2.34 0.02 1 1337 . 139 GLU C C 180.6 0.20 1 1338 . 139 GLU CA C 60.1 0.20 1 1339 . 139 GLU CB C 28.6 0.20 1 1340 . 139 GLU CG C 36.9 0.20 1 1341 . 139 GLU N N 118.6 0.20 1 1342 . 140 GLU H H 8.78 0.02 1 1343 . 140 GLU HA H 4.01 0.02 1 1344 . 140 GLU HB2 H 2.59 0.02 2 1345 . 140 GLU HB3 H 2.27 0.02 2 1346 . 140 GLU HG2 H 2.88 0.02 2 1347 . 140 GLU HG3 H 2.47 0.02 2 1348 . 140 GLU C C 179.6 0.20 1 1349 . 140 GLU CA C 58.4 0.20 1 1350 . 140 GLU CB C 29.2 0.20 1 1351 . 140 GLU CG C 37.0 0.20 1 1352 . 140 GLU N N 119.8 0.20 1 1353 . 141 PHE H H 8.84 0.02 1 1354 . 141 PHE HA H 4.03 0.02 1 1355 . 141 PHE HB2 H 3.36 0.02 2 1356 . 141 PHE HB3 H 3.24 0.02 2 1357 . 141 PHE C C 177.1 0.20 1 1358 . 141 PHE CA C 61.6 0.20 1 1359 . 141 PHE CB C 39.9 0.20 1 1360 . 141 PHE N N 124.8 0.20 1 1361 . 142 VAL H H 8.68 0.02 1 1362 . 142 VAL HA H 3.19 0.02 1 1363 . 142 VAL HB H 1.87 0.02 1 1364 . 142 VAL HG1 H 0.74 0.02 2 1365 . 142 VAL HG2 H 0.51 0.02 2 1366 . 142 VAL C C 179.9 0.20 1 1367 . 142 VAL CA C 67.0 0.20 1 1368 . 142 VAL CB C 31.1 0.20 1 1369 . 142 VAL CG1 C 21.2 0.20 1 1370 . 142 VAL CG2 C 22.8 0.20 1 1371 . 142 VAL N N 119.5 0.20 1 1372 . 143 GLN H H 7.74 0.02 1 1373 . 143 GLN HA H 3.91 0.02 1 1374 . 143 GLN HB2 H 2.13 0.02 1 1375 . 143 GLN HB3 H 2.13 0.02 1 1376 . 143 GLN HG2 H 2.42 0.02 1 1377 . 143 GLN HG3 H 2.42 0.02 1 1378 . 143 GLN C C 178.4 0.20 1 1379 . 143 GLN CA C 59.1 0.20 1 1380 . 143 GLN CB C 27.6 0.20 1 1381 . 143 GLN CG C 33.9 0.20 1 1382 . 143 GLN N N 119.6 0.20 1 1383 . 144 MET H H 7.96 0.02 1 1384 . 144 MET HA H 4.13 0.02 1 1385 . 144 MET HB2 H 2.10 0.02 1 1386 . 144 MET HB3 H 2.10 0.02 1 1387 . 144 MET HG2 H 2.54 0.02 2 1388 . 144 MET HG3 H 2.36 0.02 2 1389 . 144 MET C C 178.3 0.20 1 1390 . 144 MET CA C 58.2 0.20 1 1391 . 144 MET CB C 32.3 0.20 1 1392 . 144 MET CG C 31.8 0.20 1 1393 . 144 MET N N 119.5 0.20 1 1394 . 145 MET H H 7.77 0.02 1 1395 . 145 MET HA H 4.46 0.02 1 1396 . 145 MET HB2 H 1.89 0.02 1 1397 . 145 MET HB3 H 1.89 0.02 1 1398 . 145 MET HG2 H 1.81 0.02 1 1399 . 145 MET HG3 H 1.81 0.02 1 1400 . 145 MET C C 177.6 0.20 1 1401 . 145 MET CA C 54.4 0.20 1 1402 . 145 MET CB C 30.9 0.20 1 1403 . 145 MET CG C 31.8 0.20 1 1404 . 145 MET N N 115.0 0.20 1 1405 . 146 THR H H 7.70 0.02 1 1406 . 146 THR HA H 4.37 0.02 1 1407 . 146 THR HB H 4.28 0.02 1 1408 . 146 THR HG2 H 1.16 0.02 1 1409 . 146 THR C C 174.4 0.20 1 1410 . 146 THR CA C 62.0 0.20 1 1411 . 146 THR CB C 70.1 0.20 1 1412 . 146 THR CG2 C 21.1 0.20 1 1413 . 146 THR N N 111.0 0.20 1 1414 . 147 ALA H H 7.70 0.02 1 1415 . 147 ALA HA H 4.29 0.02 1 1416 . 147 ALA HB H 1.42 0.02 1 1417 . 147 ALA C C 177.0 0.20 1 1418 . 147 ALA CA C 52.8 0.20 1 1419 . 147 ALA CB C 18.9 0.20 1 1420 . 147 ALA N N 127.1 0.20 1 1421 . 148 LYS H H 7.96 0.02 1 1422 . 148 LYS HA H 4.07 0.02 1 1423 . 148 LYS HG2 H 1.40 0.02 2 1424 . 148 LYS HG3 H 1.01 0.02 2 1425 . 148 LYS HD2 H 1.68 0.02 1 1426 . 148 LYS HD3 H 1.68 0.02 1 1427 . 148 LYS HE2 H 3.22 0.02 1 1428 . 148 LYS HE3 H 3.22 0.02 1 1429 . 148 LYS C C 181.7 0.20 1 1430 . 148 LYS CA C 57.7 0.20 1 1431 . 148 LYS CB C 33.3 0.20 1 1432 . 148 LYS N N 126.4 0.20 1 stop_ save_