data_7249 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Complete 1H, 13C, and 15N Chemical Shift Assignments for the 15.5K Protein ; _BMRB_accession_number 7249 _BMRB_flat_file_name bmr7249.str _Entry_type original _Submission_date 2006-08-02 _Accession_date 2006-08-03 _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 Soss Sarah E. . 2 Flynn Peter F. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 741 "13C chemical shifts" 557 "15N chemical shifts" 130 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-07-16 update BMRB 'complete entry citation' 2006-12-04 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR assignment of the human spliceosomeal 15.5K protein' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17122951 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Soss Sarah E. . 2 Flynn Peter F. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 38 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 175 _Page_last 175 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name His-15.5K _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label His-15.5K $15_5K_protein stop_ _System_molecular_weight 16000 _System_physical_state native _System_oligomer_state protein _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'component of U4 snRNP' stop_ _Database_query_date . _Details 'The human 15.5K protein with N-terminal 6x His tag' save_ ######################## # Monomeric polymers # ######################## save_15_5K_protein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common His-15.5K _Molecular_mass 16000 _Mol_thiol_state 'all free' loop_ _Biological_function 'component of U4 snRNP' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 144 _Mol_residue_sequence ; MGHHHHHHSSGIEEGRMTEA DVNPKAYPLADAHLTKKLLD LVQQSCNYKQLRKGANEATK TLNRGISEFIVMAADAEPLE IILHLPLLCEDKNVPYVFVR SKQALGRACGVSRPVIACSV TIKEGSQLKQQIQSIQQSIE RLLV ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -15 MET 2 -14 GLY 3 -13 HIS 4 -12 HIS 5 -11 HIS 6 -10 HIS 7 -9 HIS 8 -8 HIS 9 -7 SER 10 -6 SER 11 -5 GLY 12 -4 ILE 13 -3 GLU 14 -2 GLU 15 -1 GLY 16 0 ARG 17 1 MET 18 2 THR 19 3 GLU 20 4 ALA 21 5 ASP 22 6 VAL 23 7 ASN 24 8 PRO 25 9 LYS 26 10 ALA 27 11 TYR 28 12 PRO 29 13 LEU 30 14 ALA 31 15 ASP 32 16 ALA 33 17 HIS 34 18 LEU 35 19 THR 36 20 LYS 37 21 LYS 38 22 LEU 39 23 LEU 40 24 ASP 41 25 LEU 42 26 VAL 43 27 GLN 44 28 GLN 45 29 SER 46 30 CYS 47 31 ASN 48 32 TYR 49 33 LYS 50 34 GLN 51 35 LEU 52 36 ARG 53 37 LYS 54 38 GLY 55 39 ALA 56 40 ASN 57 41 GLU 58 42 ALA 59 43 THR 60 44 LYS 61 45 THR 62 46 LEU 63 47 ASN 64 48 ARG 65 49 GLY 66 50 ILE 67 51 SER 68 52 GLU 69 53 PHE 70 54 ILE 71 55 VAL 72 56 MET 73 57 ALA 74 58 ALA 75 59 ASP 76 60 ALA 77 61 GLU 78 62 PRO 79 63 LEU 80 64 GLU 81 65 ILE 82 66 ILE 83 67 LEU 84 68 HIS 85 69 LEU 86 70 PRO 87 71 LEU 88 72 LEU 89 73 CYS 90 74 GLU 91 75 ASP 92 76 LYS 93 77 ASN 94 78 VAL 95 79 PRO 96 80 TYR 97 81 VAL 98 82 PHE 99 83 VAL 100 84 ARG 101 85 SER 102 86 LYS 103 87 GLN 104 88 ALA 105 89 LEU 106 90 GLY 107 91 ARG 108 92 ALA 109 93 CYS 110 94 GLY 111 95 VAL 112 96 SER 113 97 ARG 114 98 PRO 115 99 VAL 116 100 ILE 117 101 ALA 118 102 CYS 119 103 SER 120 104 VAL 121 105 THR 122 106 ILE 123 107 LYS 124 108 GLU 125 109 GLY 126 110 SER 127 111 GLN 128 112 LEU 129 113 LYS 130 114 GLN 131 115 GLN 132 116 ILE 133 117 GLN 134 118 SER 135 119 ILE 136 120 GLN 137 121 GLN 138 122 SER 139 123 ILE 140 124 GLU 141 125 ARG 142 126 LEU 143 127 LEU 144 128 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-03-02 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 15445 15.5K 100.00 144 100.00 100.00 6.28e-101 PDB 1E7K "Crystal Structure Of The Spliceosomal 15.5kd Protein Bound To A U4 Snrna Fragment" 88.89 128 100.00 100.00 2.80e-87 PDB 2JNB "Solution Structure Of Rna-Binding Protein 15.5k" 100.00 144 100.00 100.00 6.28e-101 PDB 2OZB "Structure Of A Human Prp31-15.5k-U4 Snrna Complex" 90.28 130 99.23 99.23 3.88e-88 PDB 3SIU "Structure Of A Hprp31-15.5k-U4atac 5' Stem Loop Complex, Monomeric Form" 90.28 130 99.23 99.23 3.88e-88 PDB 3SIV "Structure Of A Hprp31-15.5k-U4atac 5' Stem Loop Complex, Dimeric Form" 90.28 130 99.23 99.23 3.88e-88 DBJ BAA23363 "OTK27 [Homo sapiens]" 88.89 128 100.00 100.00 2.80e-87 DBJ BAB23329 "unnamed protein product [Mus musculus]" 88.89 128 99.22 100.00 6.57e-87 DBJ BAE01699 "unnamed protein product [Macaca fascicularis]" 88.89 128 100.00 100.00 2.80e-87 DBJ BAE22349 "unnamed protein product [Mus musculus]" 88.89 128 100.00 100.00 2.80e-87 DBJ BAE26537 "unnamed protein product [Mus musculus]" 88.89 128 100.00 100.00 2.80e-87 EMBL CAG30417 "NHP2L1 [Homo sapiens]" 88.89 128 100.00 100.00 2.80e-87 EMBL CAG46526 "NHP2L1 [Homo sapiens]" 88.89 128 100.00 100.00 2.80e-87 EMBL CAK54562 "NHP2L1 [synthetic construct]" 88.89 128 100.00 100.00 2.80e-87 EMBL CAK54861 "NHP2L1 [synthetic construct]" 88.89 128 100.00 100.00 2.80e-87 GB AAC72945 "OTK27 [Homo sapiens]" 88.89 128 100.00 100.00 2.80e-87 GB AAF06959 "15.5 kD RNA binding protein [Homo sapiens]" 88.89 128 100.00 100.00 2.80e-87 GB AAH05358 "NHP2 non-histone chromosome protein 2-like 1 (S. cerevisiae) [Homo sapiens]" 88.89 128 100.00 100.00 2.80e-87 GB AAH19282 "NHP2L1 protein, partial [Homo sapiens]" 88.89 128 100.00 100.00 2.80e-87 GB AAH26755 "NHP2 non-histone chromosome protein 2-like 1 (S. cerevisiae) [Mus musculus]" 88.89 128 100.00 100.00 2.80e-87 PRF 2210268A "nuclear protein-NHP2-like protein" 88.89 128 100.00 100.00 2.80e-87 REF NP_001003796 "NHP2-like protein 1 [Homo sapiens]" 88.89 128 100.00 100.00 2.80e-87 REF NP_001070472 "NHP2-like protein 1 [Bos taurus]" 88.89 128 100.00 100.00 2.80e-87 REF NP_001177155 "NHP2 non-histone chromosome protein 2-like 1 [Sus scrofa]" 88.89 128 100.00 100.00 2.80e-87 REF NP_001177156 "NHP2 non-histone chromosome protein 2-like 1 [Sus scrofa]" 88.89 128 100.00 100.00 2.80e-87 REF NP_001271884 "NHP2-like protein 1 [Macaca fascicularis]" 88.89 128 100.00 100.00 2.80e-87 SP P55769 "RecName: Full=NHP2-like protein 1; AltName: Full=High mobility group-like nuclear protein 2 homolog 1; AltName: Full=OTK27; Alt" 88.89 128 100.00 100.00 2.80e-87 SP P55770 "RecName: Full=NHP2-like protein 1; AltName: Full=High mobility group-like nuclear protein 2 homolog 1; AltName: Full=OTK27; Alt" 88.89 128 100.00 100.00 2.80e-87 SP Q3B8S0 "RecName: Full=NHP2-like protein 1; AltName: Full=High mobility group-like nuclear protein 2 homolog 1; AltName: Full=U4/U6.U5 t" 88.89 128 100.00 100.00 2.80e-87 SP Q4R5C6 "RecName: Full=NHP2-like protein 1; AltName: Full=High mobility group-like nuclear protein 2 homolog 1; AltName: Full=U4/U6.U5 t" 88.89 128 100.00 100.00 2.80e-87 SP Q9D0T1 "RecName: Full=NHP2-like protein 1; AltName: Full=Fertilization antigen 1; Short=FA-1; AltName: Full=High mobility group-like nu" 88.89 128 100.00 100.00 2.80e-87 TPG DAA29093 "TPA: NHP2-like protein 1 [Bos taurus]" 88.89 128 100.00 100.00 2.80e-87 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $15_5K_protein 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_type _Vector_name $15_5K_protein 'recombinant technology' 'E. coli' Escherichia coli 'BL21 (DE3)' plasmid pET11a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'Sample first used for backbone assignment' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $15_5K_protein 0.9 mM '[U-98% 13C; U-98% 15N]' 'sodium phosphate' 50 mM . 'sodium chloride' 200 mM . 'sodium azide' 0.1 'w/w %' . stop_ save_ save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $15_5K_protein 1.6 mM '[U-98% 13C; U-98% 15N]' 'sodium phosphate' 100 mM . 'sodium chloride' 100 mM . 'sodium azide' 0.1 'w/w %' . stop_ save_ ############################ # Computer software used # ############################ save_Felix _Saveframe_category software _Name FELIX _Version 97.0 loop_ _Task 'raw data processing' stop_ _Details . save_ save_Sparky _Saveframe_category software _Name SPARKY _Version . loop_ _Task 'peak picking and assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_UofUbiochem_600MHz _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 _Details 'University of Utah Dept of Biochemistry 600 MHz with cold probe' save_ save_EMSL_PNNL _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 _Details 'EMSL 600 MHz equipped with cold probe' save_ ############################# # NMR applied experiments # ############################# save_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_2 save_ save_CBCA_CO_NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA_CO_NH _Sample_label $sample_2 save_ save_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_2 save_ save_HN_CO_CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN_CO_CA _Sample_label $sample_2 save_ save_HCCH-COSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _Sample_label $sample_1 save_ save_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label $sample_1 save_ save_HBHA_CCO_NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA_CCO_NH _Sample_label $sample_1 save_ save_C_CO_NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name C_CO_NH _Sample_label $sample_1 save_ save_HNCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_2 save_ save_1H15N_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC _Sample_label $sample_1 save_ save_1H13C_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name 1H13C_HSQC _Sample_label $sample_1 save_ save_HNCACB _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_CBCA_CO_NH _Saveframe_category NMR_applied_experiment _Experiment_name CBCA_CO_NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCA _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_HN_CO_CA _Saveframe_category NMR_applied_experiment _Experiment_name HN_CO_CA _BMRB_pulse_sequence_accession_number . _Details . save_ save_HCCH-COSY _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_HCCH-TOCSY _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_HBHA_CCO_NH _Saveframe_category NMR_applied_experiment _Experiment_name HBHA_CCO_NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_C_CO_NH _Saveframe_category NMR_applied_experiment _Experiment_name C_CO_NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCO _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_1H15N_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_1H13C_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name 1H13C_HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 0.05 pH temperature 297 0.1 K stop_ save_ save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 0.05 pH temperature 293 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label HNCACB CBCA_CO_NH HNCA HN_CO_CA HCCH-COSY HCCH-TOCSY HBHA_CCO_NH C_CO_NH HNCO 1H15N_HSQC 1H13C_HSQC stop_ loop_ _Sample_label $sample_2 $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name His-15.5K _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 -7 9 SER HA H 4.486 0.003 1 2 -7 9 SER HB2 H 3.894 0.004 1 3 -7 9 SER HB3 H 3.894 0.004 1 4 -7 9 SER C C 174.520 0.200 1 5 -7 9 SER CA C 58.412 0.039 1 6 -7 9 SER CB C 63.801 0.036 1 7 -6 10 SER H H 8.568 0.028 1 8 -6 10 SER HA H 4.489 0.004 1 9 -6 10 SER HB2 H 3.905 0.005 1 10 -6 10 SER HB3 H 3.905 0.005 1 11 -6 10 SER C C 174.978 0.200 1 12 -6 10 SER CA C 58.634 0.099 1 13 -6 10 SER CB C 63.921 0.078 1 14 -6 10 SER N N 118.143 0.060 1 15 -5 11 GLY H H 8.463 0.014 1 16 -5 11 GLY HA2 H 3.999 0.004 1 17 -5 11 GLY HA3 H 3.999 0.004 1 18 -5 11 GLY C C 174.233 0.200 1 19 -5 11 GLY CA C 45.371 0.040 1 20 -5 11 GLY N N 110.808 0.083 1 21 -4 12 ILE H H 8.038 0.018 1 22 -4 12 ILE HA H 4.152 0.004 1 23 -4 12 ILE HB H 1.854 0.003 1 24 -4 12 ILE HG12 H 1.156 0.007 2 25 -4 12 ILE HG13 H 1.416 0.007 2 26 -4 12 ILE HG2 H 0.888 0.006 1 27 -4 12 ILE HD1 H 0.843 0.001 1 28 -4 12 ILE C C 176.464 0.200 1 29 -4 12 ILE CA C 61.503 0.095 1 30 -4 12 ILE CB C 38.736 0.063 1 31 -4 12 ILE CG1 C 27.280 0.060 1 32 -4 12 ILE CG2 C 17.527 0.051 1 33 -4 12 ILE CD1 C 13.116 0.019 1 34 -4 12 ILE N N 119.753 0.022 1 35 -3 13 GLU H H 8.608 0.017 1 36 -3 13 GLU HA H 4.278 0.025 1 37 -3 13 GLU HB2 H 1.826 0.025 1 38 -3 13 GLU HB3 H 1.826 0.025 1 39 -3 13 GLU CA C 57.219 0.052 1 40 -3 13 GLU CB C 29.950 0.200 1 41 -3 13 GLU N N 124.344 0.048 1 42 -2 14 GLU HA H 4.237 0.006 1 43 -2 14 GLU HB2 H 1.964 0.006 2 44 -2 14 GLU HB3 H 2.049 0.014 2 45 -2 14 GLU HG2 H 2.284 0.006 1 46 -2 14 GLU HG3 H 2.284 0.006 1 47 -2 14 GLU C C 177.033 0.200 1 48 -2 14 GLU CA C 57.103 0.045 1 49 -2 14 GLU CB C 29.749 0.148 1 50 -2 14 GLU CG C 36.217 0.047 1 51 -1 15 GLY H H 8.399 0.017 1 52 -1 15 GLY HA2 H 3.946 0.015 1 53 -1 15 GLY HA3 H 3.946 0.015 1 54 -1 15 GLY C C 174.055 0.200 1 55 -1 15 GLY CA C 45.400 0.065 1 56 -1 15 GLY N N 109.859 0.088 1 57 0 16 ARG H H 8.073 0.012 1 58 0 16 ARG HA H 4.362 0.004 1 59 0 16 ARG HB2 H 1.755 0.002 2 60 0 16 ARG HB3 H 1.843 0.002 2 61 0 16 ARG HG2 H 1.603 0.006 1 62 0 16 ARG HG3 H 1.603 0.006 1 63 0 16 ARG HD2 H 3.150 0.003 1 64 0 16 ARG HD3 H 3.150 0.003 1 65 0 16 ARG C C 176.335 0.200 1 66 0 16 ARG CA C 56.071 0.061 1 67 0 16 ARG CB C 30.900 0.049 1 68 0 16 ARG CG C 27.069 0.021 1 69 0 16 ARG CD C 43.347 0.060 1 70 0 16 ARG N N 120.254 0.064 1 71 1 17 MET H H 8.535 0.018 1 72 1 17 MET HA H 4.566 0.004 1 73 1 17 MET HB2 H 2.060 0.014 2 74 1 17 MET HB3 H 2.127 0.003 2 75 1 17 MET HG2 H 2.551 0.003 2 76 1 17 MET HG3 H 2.639 0.004 2 77 1 17 MET HE H 2.087 0.001 1 78 1 17 MET C C 176.373 0.200 1 79 1 17 MET CA C 55.698 0.096 1 80 1 17 MET CB C 32.796 0.089 1 81 1 17 MET CG C 32.052 0.001 1 82 1 17 MET CE C 16.987 0.200 1 83 1 17 MET N N 121.879 0.031 1 84 2 18 THR H H 8.267 0.016 1 85 2 18 THR HA H 4.387 0.004 1 86 2 18 THR HB H 4.250 0.003 1 87 2 18 THR HG2 H 1.214 0.006 1 88 2 18 THR C C 174.575 0.200 1 89 2 18 THR CA C 61.851 0.108 1 90 2 18 THR CB C 70.024 0.130 1 91 2 18 THR CG2 C 21.538 0.161 1 92 2 18 THR N N 115.364 0.057 1 93 3 19 GLU H H 8.499 0.015 1 94 3 19 GLU HA H 4.313 0.004 1 95 3 19 GLU HB2 H 2.047 0.037 1 96 3 19 GLU HB3 H 2.047 0.037 1 97 3 19 GLU HG2 H 2.075 0.008 1 98 3 19 GLU HG3 H 2.075 0.008 1 99 3 19 GLU C C 176.132 0.200 1 100 3 19 GLU CA C 56.565 0.081 1 101 3 19 GLU CB C 30.317 0.078 1 102 3 19 GLU CG C 36.198 0.092 1 103 3 19 GLU N N 122.994 0.037 1 104 4 20 ALA H H 8.319 0.017 1 105 4 20 ALA HA H 4.279 0.004 1 106 4 20 ALA HB H 1.397 0.006 1 107 4 20 ALA C C 177.458 0.200 1 108 4 20 ALA CA C 52.800 0.107 1 109 4 20 ALA CB C 19.379 0.107 1 110 4 20 ALA N N 124.339 0.054 1 111 5 21 ASP H H 8.389 0.011 1 112 5 21 ASP HA H 4.568 0.005 1 113 5 21 ASP HB2 H 2.700 0.007 1 114 5 21 ASP HB3 H 2.700 0.007 1 115 5 21 ASP C C 175.746 0.200 1 116 5 21 ASP CA C 54.510 0.077 1 117 5 21 ASP CB C 40.913 0.064 1 118 5 21 ASP N N 118.737 0.030 1 119 6 22 VAL H H 7.809 0.020 1 120 6 22 VAL HA H 4.150 0.003 1 121 6 22 VAL HB H 1.992 0.007 1 122 6 22 VAL HG1 H 0.904 0.007 1 123 6 22 VAL HG2 H 0.904 0.007 1 124 6 22 VAL C C 175.139 0.200 1 125 6 22 VAL CA C 61.047 0.078 1 126 6 22 VAL CB C 33.615 0.079 1 127 6 22 VAL CG1 C 21.247 0.137 1 128 6 22 VAL CG2 C 21.247 0.137 1 129 6 22 VAL N N 118.498 0.049 1 130 7 23 ASN H H 8.684 0.020 1 131 7 23 ASN HA H 4.712 0.006 1 132 7 23 ASN HB2 H 2.857 0.012 2 133 7 23 ASN HB3 H 2.604 0.003 2 134 7 23 ASN CA C 52.004 0.096 1 135 7 23 ASN CB C 39.428 0.098 1 136 7 23 ASN N N 126.039 0.090 1 137 8 24 PRO HA H 4.351 0.004 1 138 8 24 PRO HB2 H 1.916 0.006 2 139 8 24 PRO HB3 H 2.324 0.007 2 140 8 24 PRO HG2 H 2.014 0.011 1 141 8 24 PRO HG3 H 2.014 0.011 1 142 8 24 PRO HD2 H 3.711 0.002 2 143 8 24 PRO HD3 H 3.891 0.007 2 144 8 24 PRO C C 177.330 0.200 1 145 8 24 PRO CA C 64.121 0.085 1 146 8 24 PRO CB C 32.263 0.045 1 147 8 24 PRO CG C 27.284 0.022 1 148 8 24 PRO CD C 51.063 0.120 1 149 9 25 LYS H H 8.394 0.011 1 150 9 25 LYS HA H 4.152 0.006 1 151 9 25 LYS HB2 H 1.509 0.021 2 152 9 25 LYS HB3 H 1.883 0.017 2 153 9 25 LYS HE2 H 2.856 0.006 1 154 9 25 LYS HE3 H 2.856 0.006 1 155 9 25 LYS C C 176.162 0.200 1 156 9 25 LYS CA C 56.912 0.066 1 157 9 25 LYS CB C 32.604 0.097 1 158 9 25 LYS CE C 41.721 0.200 1 159 9 25 LYS N N 116.048 0.074 1 160 10 26 ALA H H 7.691 0.011 1 161 10 26 ALA HA H 2.761 0.005 1 162 10 26 ALA HB H 0.672 0.008 1 163 10 26 ALA C C 172.824 0.200 1 164 10 26 ALA CA C 49.752 0.151 1 165 10 26 ALA CB C 16.653 0.123 1 166 10 26 ALA N N 123.357 0.055 1 167 11 27 TYR H H 6.756 0.007 1 168 11 27 TYR HA H 4.665 0.007 1 169 11 27 TYR HB2 H 2.635 0.011 2 170 11 27 TYR HB3 H 2.923 0.009 2 171 11 27 TYR HD1 H 7.127 0.001 1 172 11 27 TYR HD2 H 7.127 0.001 1 173 11 27 TYR HE1 H 6.831 0.025 1 174 11 27 TYR HE2 H 6.831 0.025 1 175 11 27 TYR CA C 54.018 0.115 1 176 11 27 TYR CB C 41.799 0.061 1 177 11 27 TYR CD1 C 132.792 0.200 3 178 11 27 TYR CE1 C 117.691 0.200 3 179 11 27 TYR N N 123.468 0.040 1 180 12 28 PRO HA H 3.866 0.006 1 181 12 28 PRO HB2 H 1.425 0.008 2 182 12 28 PRO HB3 H 1.655 0.010 2 183 12 28 PRO HG2 H 1.929 0.006 1 184 12 28 PRO HG3 H 1.929 0.006 1 185 12 28 PRO HD2 H 3.125 0.006 2 186 12 28 PRO HD3 H 3.492 0.008 2 187 12 28 PRO C C 173.565 0.200 1 188 12 28 PRO CA C 62.526 0.035 1 189 12 28 PRO CB C 34.208 0.066 1 190 12 28 PRO CG C 24.816 0.200 1 191 12 28 PRO CD C 50.183 0.030 1 192 13 29 LEU H H 8.574 0.017 1 193 13 29 LEU HA H 4.799 0.003 1 194 13 29 LEU HB2 H 1.392 0.009 2 195 13 29 LEU HB3 H 1.816 0.008 2 196 13 29 LEU HG H 0.832 0.003 1 197 13 29 LEU HD1 H 0.691 0.004 1 198 13 29 LEU HD2 H 0.691 0.004 1 199 13 29 LEU C C 176.020 0.200 1 200 13 29 LEU CA C 53.089 0.118 1 201 13 29 LEU CB C 44.076 0.068 1 202 13 29 LEU CG C 26.483 0.200 1 203 13 29 LEU CD1 C 23.320 0.039 1 204 13 29 LEU N N 124.319 0.064 1 205 14 30 ALA H H 8.768 0.011 1 206 14 30 ALA HA H 4.154 0.004 1 207 14 30 ALA HB H 1.310 0.011 1 208 14 30 ALA C C 176.715 0.200 1 209 14 30 ALA CA C 52.565 0.084 1 210 14 30 ALA CB C 20.197 0.099 1 211 14 30 ALA N N 129.910 0.122 1 212 15 31 ASP H H 8.471 0.043 1 213 15 31 ASP HA H 4.626 0.009 1 214 15 31 ASP HB2 H 2.892 0.006 2 215 15 31 ASP HB3 H 3.292 0.002 2 216 15 31 ASP C C 177.842 0.200 1 217 15 31 ASP CA C 52.486 0.089 1 218 15 31 ASP CB C 40.625 0.086 1 219 15 31 ASP N N 120.433 0.032 1 220 16 32 ALA H H 9.001 0.015 1 221 16 32 ALA HA H 4.055 0.003 1 222 16 32 ALA HB H 1.434 0.007 1 223 16 32 ALA C C 180.251 0.200 1 224 16 32 ALA CA C 56.418 0.075 1 225 16 32 ALA CB C 18.360 0.150 1 226 16 32 ALA N N 124.267 0.069 1 227 17 33 HIS H H 8.162 0.037 1 228 17 33 HIS HA H 4.399 0.003 1 229 17 33 HIS HB2 H 3.309 0.007 1 230 17 33 HIS HB3 H 3.309 0.007 1 231 17 33 HIS C C 177.979 0.200 1 232 17 33 HIS CA C 58.838 0.106 1 233 17 33 HIS CB C 29.066 0.151 1 234 17 33 HIS N N 118.306 0.080 1 235 18 34 LEU H H 8.974 0.015 1 236 18 34 LEU HA H 4.115 0.015 1 237 18 34 LEU HB2 H 1.785 0.013 1 238 18 34 LEU HB3 H 1.785 0.013 1 239 18 34 LEU HG H 1.471 0.009 1 240 18 34 LEU HD1 H 0.918 0.005 1 241 18 34 LEU HD2 H 0.918 0.005 1 242 18 34 LEU C C 178.526 0.200 1 243 18 34 LEU CA C 57.375 0.054 1 244 18 34 LEU CB C 40.271 0.122 1 245 18 34 LEU CG C 26.276 0.006 1 246 18 34 LEU CD1 C 23.008 0.033 1 247 18 34 LEU CD2 C 23.008 0.033 1 248 18 34 LEU N N 122.376 0.037 1 249 19 35 THR H H 8.818 0.013 1 250 19 35 THR HA H 4.311 0.006 1 251 19 35 THR HB H 3.602 0.005 1 252 19 35 THR HG2 H 1.256 0.007 1 253 19 35 THR C C 174.662 0.200 1 254 19 35 THR CA C 68.520 0.210 1 255 19 35 THR CB C 68.612 0.155 1 256 19 35 THR CG2 C 20.550 0.064 1 257 19 35 THR N N 115.846 0.047 1 258 20 36 LYS H H 7.294 0.003 1 259 20 36 LYS HA H 3.964 0.009 1 260 20 36 LYS HB2 H 1.958 0.010 1 261 20 36 LYS HB3 H 1.958 0.010 1 262 20 36 LYS HG2 H 1.433 0.003 1 263 20 36 LYS HG3 H 1.433 0.003 1 264 20 36 LYS HD2 H 1.519 0.025 1 265 20 36 LYS HD3 H 1.519 0.025 1 266 20 36 LYS HE2 H 3.058 0.025 1 267 20 36 LYS HE3 H 3.058 0.025 1 268 20 36 LYS C C 178.371 0.200 1 269 20 36 LYS CA C 59.994 0.096 1 270 20 36 LYS CB C 32.140 0.048 1 271 20 36 LYS CG C 24.946 0.055 1 272 20 36 LYS CD C 28.963 0.200 1 273 20 36 LYS N N 120.466 0.065 1 274 21 37 LYS H H 7.207 0.006 1 275 21 37 LYS HA H 4.111 0.007 1 276 21 37 LYS HB2 H 1.791 0.025 1 277 21 37 LYS HB3 H 1.791 0.025 1 278 21 37 LYS HG2 H 1.409 0.005 2 279 21 37 LYS HG3 H 1.551 0.017 2 280 21 37 LYS HD2 H 1.598 0.005 1 281 21 37 LYS HD3 H 1.598 0.005 1 282 21 37 LYS HE2 H 2.857 0.008 1 283 21 37 LYS HE3 H 2.857 0.008 1 284 21 37 LYS C C 179.936 0.200 1 285 21 37 LYS CA C 59.196 0.051 1 286 21 37 LYS CB C 32.624 0.205 1 287 21 37 LYS CG C 24.920 0.046 1 288 21 37 LYS CD C 29.134 0.022 1 289 21 37 LYS CE C 41.810 0.048 1 290 21 37 LYS N N 117.139 0.051 1 291 22 38 LEU H H 9.009 0.006 1 292 22 38 LEU HA H 3.839 0.009 1 293 22 38 LEU HB2 H 1.946 0.008 2 294 22 38 LEU HB3 H 1.209 0.005 2 295 22 38 LEU HG H 1.557 0.013 1 296 22 38 LEU HD1 H 0.610 0.009 2 297 22 38 LEU HD2 H 0.600 0.010 2 298 22 38 LEU C C 178.123 0.200 1 299 22 38 LEU CA C 58.081 0.059 1 300 22 38 LEU CB C 43.263 0.049 1 301 22 38 LEU CG C 26.868 0.083 1 302 22 38 LEU CD1 C 27.540 0.031 1 303 22 38 LEU CD2 C 25.550 0.051 1 304 22 38 LEU N N 120.956 0.036 1 305 23 39 LEU H H 8.814 0.004 1 306 23 39 LEU HA H 3.906 0.004 1 307 23 39 LEU HB2 H 2.006 0.044 2 308 23 39 LEU HB3 H 1.464 0.025 2 309 23 39 LEU HG H 2.036 0.005 1 310 23 39 LEU HD1 H 0.863 0.011 2 311 23 39 LEU HD2 H 0.704 0.003 2 312 23 39 LEU C C 179.898 0.200 1 313 23 39 LEU CA C 58.123 0.059 1 314 23 39 LEU CB C 39.446 0.066 1 315 23 39 LEU CG C 26.761 0.200 1 316 23 39 LEU CD1 C 26.198 0.114 1 317 23 39 LEU CD2 C 22.027 0.043 1 318 23 39 LEU N N 118.031 0.064 1 319 24 40 ASP H H 8.130 0.007 1 320 24 40 ASP HA H 4.507 0.007 1 321 24 40 ASP HB2 H 2.721 0.035 1 322 24 40 ASP HB3 H 2.721 0.035 1 323 24 40 ASP C C 178.406 0.200 1 324 24 40 ASP CA C 57.517 0.095 1 325 24 40 ASP CB C 40.695 0.056 1 326 24 40 ASP N N 120.431 0.101 1 327 25 41 LEU H H 7.854 0.003 1 328 25 41 LEU HA H 4.346 0.005 1 329 25 41 LEU HB2 H 2.056 0.008 2 330 25 41 LEU HB3 H 1.755 0.018 2 331 25 41 LEU HG H 1.013 0.010 1 332 25 41 LEU HD1 H 1.048 0.003 1 333 25 41 LEU HD2 H 1.048 0.003 1 334 25 41 LEU C C 179.893 0.200 1 335 25 41 LEU CA C 57.350 0.041 1 336 25 41 LEU CB C 40.918 0.073 1 337 25 41 LEU CG C 27.310 0.041 1 338 25 41 LEU CD1 C 24.269 0.071 1 339 25 41 LEU CD2 C 24.269 0.071 1 340 25 41 LEU N N 121.544 0.041 1 341 26 42 VAL H H 9.164 0.008 1 342 26 42 VAL HA H 3.418 0.004 1 343 26 42 VAL HB H 2.191 0.012 1 344 26 42 VAL HG1 H 0.868 0.008 1 345 26 42 VAL HG2 H 0.868 0.008 1 346 26 42 VAL C C 177.889 0.200 1 347 26 42 VAL CA C 67.535 0.104 1 348 26 42 VAL CB C 31.723 0.064 1 349 26 42 VAL CG1 C 23.091 0.024 2 350 26 42 VAL N N 124.000 0.069 1 351 27 43 GLN H H 8.087 0.006 1 352 27 43 GLN HA H 4.562 0.005 1 353 27 43 GLN HB2 H 2.390 0.012 1 354 27 43 GLN HB3 H 2.390 0.012 1 355 27 43 GLN HG2 H 2.629 0.011 1 356 27 43 GLN HG3 H 2.629 0.011 1 357 27 43 GLN C C 179.579 0.200 1 358 27 43 GLN CA C 59.530 0.060 1 359 27 43 GLN CB C 28.686 0.068 1 360 27 43 GLN CG C 34.176 0.108 1 361 27 43 GLN N N 120.944 0.107 1 362 28 44 GLN H H 8.257 0.003 1 363 28 44 GLN HA H 4.192 0.005 1 364 28 44 GLN HB2 H 2.282 0.012 1 365 28 44 GLN HB3 H 2.282 0.012 1 366 28 44 GLN HG2 H 2.456 0.000 2 367 28 44 GLN HG3 H 2.650 0.014 2 368 28 44 GLN C C 179.115 0.200 1 369 28 44 GLN CA C 59.483 0.038 1 370 28 44 GLN CB C 29.722 0.087 1 371 28 44 GLN CG C 34.409 0.140 1 372 28 44 GLN N N 118.904 0.039 1 373 29 45 SER H H 9.170 0.003 1 374 29 45 SER HA H 3.960 0.004 1 375 29 45 SER HB2 H 3.683 0.009 1 376 29 45 SER HB3 H 3.683 0.009 1 377 29 45 SER C C 176.361 0.200 1 378 29 45 SER CA C 63.291 0.096 1 379 29 45 SER CB C 62.284 0.504 1 380 29 45 SER N N 117.258 0.036 1 381 30 46 CYS H H 8.127 0.006 1 382 30 46 CYS HA H 4.149 0.008 1 383 30 46 CYS HB2 H 3.070 0.007 2 384 30 46 CYS HB3 H 3.283 0.006 2 385 30 46 CYS C C 178.565 0.200 1 386 30 46 CYS CA C 62.710 0.050 1 387 30 46 CYS CB C 26.236 0.059 1 388 30 46 CYS N N 123.100 0.050 1 389 31 47 ASN H H 7.758 0.005 1 390 31 47 ASN HA H 4.462 0.004 1 391 31 47 ASN HB2 H 2.737 0.008 2 392 31 47 ASN HB3 H 2.924 0.019 2 393 31 47 ASN C C 176.367 0.200 1 394 31 47 ASN CA C 55.981 0.076 1 395 31 47 ASN CB C 37.881 0.108 1 396 31 47 ASN N N 119.987 0.039 1 397 32 48 TYR H H 7.835 0.008 1 398 32 48 TYR HA H 4.570 0.009 1 399 32 48 TYR HB2 H 2.651 0.011 2 400 32 48 TYR HB3 H 3.620 0.005 2 401 32 48 TYR HD1 H 7.337 0.025 1 402 32 48 TYR HD2 H 7.337 0.025 1 403 32 48 TYR HE1 H 6.896 0.025 1 404 32 48 TYR HE2 H 6.896 0.025 1 405 32 48 TYR C C 174.020 0.200 1 406 32 48 TYR CA C 58.304 0.087 1 407 32 48 TYR CB C 38.224 0.060 1 408 32 48 TYR CD1 C 132.509 0.200 3 409 32 48 TYR CE1 C 117.487 0.200 3 410 32 48 TYR N N 116.884 0.060 1 411 33 49 LYS H H 7.781 0.003 1 412 33 49 LYS HA H 4.154 0.010 1 413 33 49 LYS HB2 H 2.128 0.019 1 414 33 49 LYS HB3 H 2.128 0.019 1 415 33 49 LYS HG2 H 1.424 0.005 1 416 33 49 LYS HG3 H 1.424 0.005 1 417 33 49 LYS HE2 H 3.032 0.003 1 418 33 49 LYS HE3 H 3.032 0.003 1 419 33 49 LYS C C 176.322 0.200 1 420 33 49 LYS CA C 57.427 0.056 1 421 33 49 LYS CB C 28.585 0.186 1 422 33 49 LYS CG C 25.194 0.044 1 423 33 49 LYS CE C 42.352 0.018 1 424 33 49 LYS N N 114.840 0.065 1 425 34 50 GLN H H 8.543 0.008 1 426 34 50 GLN HA H 4.606 0.007 1 427 34 50 GLN HB2 H 1.772 0.004 2 428 34 50 GLN HB3 H 2.524 0.005 2 429 34 50 GLN HG2 H 2.324 0.003 1 430 34 50 GLN HG3 H 2.324 0.003 1 431 34 50 GLN C C 173.384 0.200 1 432 34 50 GLN CA C 54.344 0.077 1 433 34 50 GLN CB C 31.137 0.063 1 434 34 50 GLN CG C 36.093 0.071 1 435 34 50 GLN N N 117.221 0.040 1 436 35 51 LEU H H 7.343 0.007 1 437 35 51 LEU HA H 5.294 0.006 1 438 35 51 LEU HB2 H 1.405 0.014 2 439 35 51 LEU HB3 H 1.667 0.016 2 440 35 51 LEU HG H 0.972 0.006 1 441 35 51 LEU HD1 H 0.883 0.025 1 442 35 51 LEU HD2 H 0.883 0.025 1 443 35 51 LEU C C 176.616 0.200 1 444 35 51 LEU CA C 53.598 0.090 1 445 35 51 LEU CB C 45.873 0.077 1 446 35 51 LEU CG C 25.679 0.076 1 447 35 51 LEU CD1 C 23.695 0.200 1 448 35 51 LEU CD2 C 23.695 0.200 1 449 35 51 LEU N N 119.835 0.042 1 450 36 52 ARG H H 9.174 0.005 1 451 36 52 ARG HA H 4.871 0.047 1 452 36 52 ARG HB2 H 1.684 0.023 1 453 36 52 ARG HB3 H 1.684 0.023 1 454 36 52 ARG HG2 H 1.515 0.013 1 455 36 52 ARG HG3 H 1.515 0.013 1 456 36 52 ARG HD2 H 3.281 0.004 2 457 36 52 ARG HD3 H 3.169 0.009 2 458 36 52 ARG C C 174.979 0.200 1 459 36 52 ARG CA C 53.123 0.131 1 460 36 52 ARG CB C 31.871 0.119 1 461 36 52 ARG CG C 26.114 0.117 1 462 36 52 ARG CD C 42.005 0.095 1 463 36 52 ARG N N 125.462 0.090 1 464 37 53 LYS H H 9.215 0.031 1 465 37 53 LYS HA H 4.583 0.024 1 466 37 53 LYS HB2 H 1.736 0.010 2 467 37 53 LYS HB3 H 1.925 0.006 2 468 37 53 LYS HG2 H 1.425 0.025 1 469 37 53 LYS HG3 H 1.425 0.025 1 470 37 53 LYS HE2 H 2.972 0.024 1 471 37 53 LYS HE3 H 2.972 0.024 1 472 37 53 LYS C C 175.252 0.200 1 473 37 53 LYS CA C 56.074 0.182 1 474 37 53 LYS CB C 35.100 0.079 1 475 37 53 LYS CG C 23.891 0.092 1 476 37 53 LYS N N 122.614 0.062 1 477 38 54 GLY H H 8.404 0.014 1 478 38 54 GLY HA2 H 4.861 0.025 2 479 38 54 GLY HA3 H 4.073 0.007 2 480 38 54 GLY C C 174.044 0.200 1 481 38 54 GLY CA C 44.429 0.106 1 482 38 54 GLY N N 110.534 0.094 1 483 39 55 ALA H H 9.149 0.013 1 484 39 55 ALA HA H 3.751 0.003 1 485 39 55 ALA HB H 1.442 0.007 1 486 39 55 ALA CA C 56.249 0.080 1 487 39 55 ALA CB C 18.613 0.126 1 488 39 55 ALA N N 124.055 0.045 1 489 40 56 ASN H H 9.085 0.030 1 490 40 56 ASN HA H 4.470 0.004 1 491 40 56 ASN HB2 H 2.945 0.008 1 492 40 56 ASN HB3 H 2.945 0.008 1 493 40 56 ASN C C 178.392 0.200 1 494 40 56 ASN CA C 56.776 0.136 1 495 40 56 ASN CB C 37.480 0.060 1 496 40 56 ASN N N 119.942 0.094 1 497 41 57 GLU H H 8.857 0.037 1 498 41 57 GLU HA H 4.038 0.033 1 499 41 57 GLU HB2 H 1.858 0.005 1 500 41 57 GLU HB3 H 1.858 0.005 1 501 41 57 GLU HG2 H 2.508 0.009 1 502 41 57 GLU HG3 H 2.508 0.009 1 503 41 57 GLU C C 179.745 0.200 1 504 41 57 GLU CA C 59.148 0.054 1 505 41 57 GLU CB C 29.180 0.027 1 506 41 57 GLU CG C 36.598 0.053 1 507 41 57 GLU N N 120.930 0.029 1 508 42 58 ALA H H 8.722 0.011 1 509 42 58 ALA HA H 3.804 0.006 1 510 42 58 ALA HB H 1.178 0.008 1 511 42 58 ALA C C 180.520 0.200 1 512 42 58 ALA CA C 55.633 0.073 1 513 42 58 ALA CB C 17.119 0.105 1 514 42 58 ALA N N 121.374 0.091 1 515 43 59 THR H H 8.285 0.008 1 516 43 59 THR HA H 3.582 0.005 1 517 43 59 THR HB H 4.511 0.007 1 518 43 59 THR HG2 H 1.224 0.002 1 519 43 59 THR C C 175.500 0.200 1 520 43 59 THR CA C 67.840 0.131 1 521 43 59 THR CB C 68.639 0.071 1 522 43 59 THR CG2 C 21.272 0.051 1 523 43 59 THR N N 117.504 0.033 1 524 44 60 LYS H H 7.849 0.003 1 525 44 60 LYS HA H 4.131 0.010 1 526 44 60 LYS HB2 H 1.912 0.011 1 527 44 60 LYS HB3 H 1.912 0.011 1 528 44 60 LYS HG2 H 1.607 0.016 1 529 44 60 LYS HG3 H 1.607 0.016 1 530 44 60 LYS HE2 H 3.014 0.009 1 531 44 60 LYS HE3 H 3.014 0.009 1 532 44 60 LYS C C 179.382 0.200 1 533 44 60 LYS CA C 60.426 0.064 1 534 44 60 LYS CB C 32.326 0.075 1 535 44 60 LYS CG C 25.434 0.052 1 536 44 60 LYS CD C 29.701 0.200 1 537 44 60 LYS CE C 42.272 0.040 1 538 44 60 LYS N N 121.232 0.057 1 539 45 61 THR H H 7.975 0.005 1 540 45 61 THR HA H 3.893 0.003 1 541 45 61 THR HB H 3.789 0.004 1 542 45 61 THR HG2 H 1.260 0.006 1 543 45 61 THR C C 175.620 0.200 1 544 45 61 THR CA C 64.695 0.053 1 545 45 61 THR CB C 69.102 0.016 1 546 45 61 THR CG2 C 22.976 0.043 1 547 45 61 THR N N 107.191 0.104 1 548 46 62 LEU H H 7.312 0.006 1 549 46 62 LEU HA H 4.175 0.010 1 550 46 62 LEU HB2 H 2.162 0.021 2 551 46 62 LEU HB3 H 1.171 0.012 2 552 46 62 LEU HG H 1.615 0.001 1 553 46 62 LEU HD1 H 0.810 0.005 1 554 46 62 LEU HD2 H 0.810 0.005 1 555 46 62 LEU C C 179.981 0.200 1 556 46 62 LEU CA C 57.081 0.081 1 557 46 62 LEU CB C 42.273 0.050 1 558 46 62 LEU CD1 C 27.533 0.012 1 559 46 62 LEU CD2 C 27.533 0.012 1 560 46 62 LEU N N 123.229 0.047 1 561 47 63 ASN H H 8.204 0.004 1 562 47 63 ASN HA H 4.470 0.007 1 563 47 63 ASN HB2 H 2.911 0.023 1 564 47 63 ASN HB3 H 2.911 0.023 1 565 47 63 ASN C C 177.496 0.200 1 566 47 63 ASN CA C 56.099 0.134 1 567 47 63 ASN CB C 38.115 0.085 1 568 47 63 ASN N N 119.117 0.043 1 569 48 64 ARG H H 7.996 0.008 1 570 48 64 ARG HA H 4.347 0.008 1 571 48 64 ARG HB2 H 2.040 0.012 2 572 48 64 ARG HB3 H 1.647 0.008 2 573 48 64 ARG HG2 H 1.721 0.011 1 574 48 64 ARG HG3 H 1.721 0.011 1 575 48 64 ARG HD2 H 3.236 0.012 1 576 48 64 ARG HD3 H 3.236 0.012 1 577 48 64 ARG C C 176.333 0.200 1 578 48 64 ARG CA C 56.110 0.092 1 579 48 64 ARG CB C 31.494 0.032 1 580 48 64 ARG CG C 27.602 0.003 1 581 48 64 ARG CD C 43.217 0.006 1 582 48 64 ARG N N 115.846 0.046 1 583 49 65 GLY H H 7.577 0.003 1 584 49 65 GLY HA2 H 4.103 0.008 2 585 49 65 GLY HA3 H 4.050 0.021 2 586 49 65 GLY C C 175.842 0.200 1 587 49 65 GLY CA C 46.848 0.089 1 588 49 65 GLY N N 108.418 0.103 1 589 50 66 ILE H H 7.932 0.006 1 590 50 66 ILE HA H 4.767 0.004 1 591 50 66 ILE HB H 2.448 0.007 1 592 50 66 ILE HG2 H 0.803 0.006 1 593 50 66 ILE HD1 H 0.909 0.008 1 594 50 66 ILE C C 174.772 0.200 1 595 50 66 ILE CA C 60.209 0.074 1 596 50 66 ILE CB C 38.932 0.095 1 597 50 66 ILE CG1 C 27.139 0.016 1 598 50 66 ILE CG2 C 16.868 0.085 1 599 50 66 ILE CD1 C 13.824 0.037 1 600 50 66 ILE N N 109.219 0.076 1 601 50 66 ILE HG12 H 1.044 0.010 1 602 50 66 ILE HG13 H 1.044 0.010 1 603 51 67 SER H H 8.145 0.017 1 604 51 67 SER HA H 4.332 0.005 1 605 51 67 SER HB2 H 3.552 0.002 2 606 51 67 SER HB3 H 3.332 0.003 2 607 51 67 SER C C 176.513 0.200 1 608 51 67 SER CA C 58.237 0.072 1 609 51 67 SER CB C 64.636 0.081 1 610 51 67 SER N N 116.951 0.055 1 611 52 68 GLU H H 9.957 0.013 1 612 52 68 GLU HA H 4.518 0.010 1 613 52 68 GLU HB2 H 1.426 0.009 2 614 52 68 GLU HB3 H 1.922 0.002 2 615 52 68 GLU C C 178.460 0.200 1 616 52 68 GLU CA C 58.149 0.040 1 617 52 68 GLU CB C 30.486 0.092 1 618 52 68 GLU CG C 33.940 0.200 1 619 52 68 GLU N N 127.042 0.079 1 620 53 69 PHE H H 7.172 0.006 1 621 53 69 PHE HA H 4.874 0.006 1 622 53 69 PHE HB2 H 2.722 0.008 2 623 53 69 PHE HB3 H 3.597 0.004 2 624 53 69 PHE HD1 H 6.692 0.004 1 625 53 69 PHE HD2 H 6.692 0.004 1 626 53 69 PHE HE1 H 6.867 0.025 1 627 53 69 PHE HE2 H 6.867 0.025 1 628 53 69 PHE C C 171.863 0.200 1 629 53 69 PHE CA C 57.195 0.067 1 630 53 69 PHE CB C 39.321 0.081 1 631 53 69 PHE CD1 C 131.343 0.200 3 632 53 69 PHE CE1 C 129.145 0.200 3 633 53 69 PHE N N 109.901 0.107 1 634 54 70 ILE H H 8.006 0.006 1 635 54 70 ILE HA H 4.961 0.005 1 636 54 70 ILE HB H 1.954 0.009 1 637 54 70 ILE HG2 H 0.727 0.008 1 638 54 70 ILE HD1 H 0.617 0.006 1 639 54 70 ILE C C 174.753 0.200 1 640 54 70 ILE CA C 57.063 0.080 1 641 54 70 ILE CB C 39.822 0.087 1 642 54 70 ILE CG1 C 27.555 0.059 1 643 54 70 ILE CG2 C 17.067 0.086 1 644 54 70 ILE CD1 C 12.695 0.079 1 645 54 70 ILE N N 118.642 0.048 1 646 54 70 ILE HG12 H 1.231 0.009 1 647 54 70 ILE HG13 H 1.231 0.009 1 648 55 71 VAL H H 8.152 0.005 1 649 55 71 VAL HA H 4.972 0.006 1 650 55 71 VAL HB H 1.895 0.008 1 651 55 71 VAL HG1 H 0.857 0.014 1 652 55 71 VAL HG2 H 0.857 0.014 1 653 55 71 VAL C C 174.788 0.200 1 654 55 71 VAL CA C 60.042 0.043 1 655 55 71 VAL CB C 33.894 0.041 1 656 55 71 VAL CG1 C 23.600 0.113 1 657 55 71 VAL N N 123.274 0.053 1 658 56 72 MET H H 8.448 0.006 1 659 56 72 MET HA H 4.846 0.004 1 660 56 72 MET HB2 H 0.630 0.011 2 661 56 72 MET HB3 H 1.801 0.024 2 662 56 72 MET HG2 H 1.882 0.006 1 663 56 72 MET HG3 H 1.882 0.006 1 664 56 72 MET HE H 2.087 0.001 1 665 56 72 MET C C 173.485 0.200 1 666 56 72 MET CA C 53.331 0.115 1 667 56 72 MET CB C 37.955 0.076 1 668 56 72 MET CG C 32.172 0.047 1 669 56 72 MET CE C 16.987 0.200 1 670 56 72 MET N N 124.356 0.043 1 671 57 73 ALA H H 8.066 0.005 1 672 57 73 ALA HA H 4.966 0.003 1 673 57 73 ALA HB H 1.509 0.001 1 674 57 73 ALA C C 176.961 0.200 1 675 57 73 ALA CA C 50.100 0.128 1 676 57 73 ALA CB C 21.132 0.094 1 677 57 73 ALA N N 121.897 0.061 1 678 58 74 ALA H H 9.593 0.014 1 679 58 74 ALA HA H 4.116 0.005 1 680 58 74 ALA HB H 1.388 0.007 1 681 58 74 ALA C C 176.533 0.200 1 682 58 74 ALA CA C 53.772 0.064 1 683 58 74 ALA CB C 19.806 0.103 1 684 58 74 ALA N N 122.107 0.030 1 685 59 75 ASP H H 8.203 0.004 1 686 59 75 ASP HA H 4.744 0.010 1 687 59 75 ASP HB2 H 2.694 0.010 2 688 59 75 ASP HB3 H 3.183 0.005 2 689 59 75 ASP C C 176.609 0.200 1 690 59 75 ASP CA C 52.437 0.128 1 691 59 75 ASP CB C 38.490 0.061 1 692 59 75 ASP N N 113.425 0.065 1 693 60 76 ALA H H 7.160 0.004 1 694 60 76 ALA HA H 3.953 0.005 1 695 60 76 ALA HB H 1.516 0.006 1 696 60 76 ALA C C 175.302 0.200 1 697 60 76 ALA CA C 54.260 0.091 1 698 60 76 ALA CB C 20.313 0.103 1 699 60 76 ALA N N 122.094 0.035 1 700 61 77 GLU H H 8.082 0.014 1 701 61 77 GLU HA H 4.987 0.004 1 702 61 77 GLU HB2 H 1.952 0.010 2 703 61 77 GLU HB3 H 1.859 0.002 2 704 61 77 GLU HG2 H 2.221 0.007 1 705 61 77 GLU HG3 H 2.221 0.007 1 706 61 77 GLU CA C 52.559 0.095 1 707 61 77 GLU CB C 33.270 0.060 1 708 61 77 GLU CG C 35.999 0.013 1 709 61 77 GLU N N 120.950 0.042 1 710 62 78 PRO HA H 4.953 0.004 1 711 62 78 PRO HB2 H 2.324 0.008 2 712 62 78 PRO HB3 H 2.491 0.007 2 713 62 78 PRO HG2 H 2.073 0.009 1 714 62 78 PRO HG3 H 2.073 0.009 1 715 62 78 PRO HD2 H 3.631 0.007 1 716 62 78 PRO HD3 H 3.631 0.007 1 717 62 78 PRO C C 176.611 0.200 1 718 62 78 PRO CA C 63.223 0.084 1 719 62 78 PRO CB C 33.715 0.045 1 720 62 78 PRO CG C 25.307 0.031 1 721 62 78 PRO CD C 49.946 0.068 1 722 63 79 LEU H H 8.812 0.017 1 723 63 79 LEU HA H 3.880 0.008 1 724 63 79 LEU HB2 H 1.626 0.010 2 725 63 79 LEU HB3 H 1.739 0.005 2 726 63 79 LEU HG H 0.815 0.007 1 727 63 79 LEU HD1 H 1.140 0.006 1 728 63 79 LEU HD2 H 1.140 0.006 1 729 63 79 LEU C C 177.740 0.200 1 730 63 79 LEU CA C 57.569 0.051 1 731 63 79 LEU CB C 41.555 0.092 1 732 63 79 LEU CG C 26.791 0.033 1 733 63 79 LEU CD1 C 23.859 0.043 1 734 63 79 LEU CD2 C 23.859 0.043 1 735 63 79 LEU N N 125.450 0.061 1 736 64 80 GLU H H 8.896 0.007 1 737 64 80 GLU HA H 3.839 0.020 1 738 64 80 GLU HB2 H 2.058 0.016 1 739 64 80 GLU HB3 H 2.058 0.016 1 740 64 80 GLU HG2 H 2.287 0.003 2 741 64 80 GLU HG3 H 2.501 0.023 2 742 64 80 GLU C C 177.780 0.200 1 743 64 80 GLU CA C 60.190 0.177 1 744 64 80 GLU CB C 29.372 0.079 1 745 64 80 GLU CG C 37.282 0.059 1 746 64 80 GLU N N 113.260 0.079 1 747 65 81 ILE H H 7.390 0.003 1 748 65 81 ILE HA H 4.189 0.007 1 749 65 81 ILE HB H 1.970 0.009 1 750 65 81 ILE HG2 H 1.031 0.006 1 751 65 81 ILE HD1 H 0.921 0.006 1 752 65 81 ILE C C 176.257 0.200 1 753 65 81 ILE CA C 63.997 0.118 1 754 65 81 ILE CB C 38.410 0.062 1 755 65 81 ILE CG1 C 27.388 0.048 1 756 65 81 ILE CG2 C 18.061 0.048 1 757 65 81 ILE CD1 C 13.766 0.051 1 758 65 81 ILE N N 116.211 0.084 1 759 65 81 ILE HG12 H 1.585 0.013 1 760 65 81 ILE HG13 H 1.585 0.013 1 761 66 82 ILE H H 7.817 0.007 1 762 66 82 ILE HA H 4.867 0.009 1 763 66 82 ILE HB H 2.364 0.006 1 764 66 82 ILE HG12 H 1.216 0.005 2 765 66 82 ILE HG13 H 1.501 0.004 2 766 66 82 ILE HG2 H 0.892 0.015 1 767 66 82 ILE HD1 H 1.132 0.006 1 768 66 82 ILE C C 177.384 0.200 1 769 66 82 ILE CA C 60.708 0.068 1 770 66 82 ILE CB C 39.830 0.066 1 771 66 82 ILE CG1 C 26.932 0.022 1 772 66 82 ILE CG2 C 20.154 0.152 1 773 66 82 ILE CD1 C 15.500 0.046 1 774 66 82 ILE N N 108.478 0.119 1 775 67 83 LEU H H 7.283 0.003 1 776 67 83 LEU HA H 4.199 0.025 1 777 67 83 LEU HB2 H 1.750 0.025 1 778 67 83 LEU HB3 H 1.750 0.025 1 779 67 83 LEU C C 179.204 0.200 1 780 67 83 LEU CA C 57.468 0.073 1 781 67 83 LEU CB C 40.535 0.068 1 782 67 83 LEU N N 119.293 0.064 1 783 68 84 HIS H H 8.622 0.007 1 784 68 84 HIS HA H 4.602 0.012 1 785 68 84 HIS HB2 H 3.002 0.017 1 786 68 84 HIS HB3 H 3.002 0.017 1 787 68 84 HIS C C 177.860 0.200 1 788 68 84 HIS CA C 57.773 0.088 1 789 68 84 HIS CB C 29.505 0.078 1 790 68 84 HIS N N 116.966 0.047 1 791 69 85 LEU H H 7.452 0.008 1 792 69 85 LEU HA H 3.820 0.005 1 793 69 85 LEU HB2 H 2.363 0.007 2 794 69 85 LEU HB3 H 0.774 0.009 2 795 69 85 LEU HG H 0.565 0.016 1 796 69 85 LEU HD1 H 0.657 0.001 1 797 69 85 LEU HD2 H 0.657 0.001 1 798 69 85 LEU CA C 59.106 0.087 1 799 69 85 LEU CB C 39.109 0.067 1 800 69 85 LEU CG C 24.140 0.052 1 801 69 85 LEU N N 122.195 0.027 1 802 70 86 PRO HA H 2.727 0.005 1 803 70 86 PRO HB2 H 1.644 0.011 2 804 70 86 PRO HB3 H 2.102 0.002 2 805 70 86 PRO HG2 H 1.867 0.025 1 806 70 86 PRO HG3 H 1.867 0.025 1 807 70 86 PRO C C 176.954 0.200 1 808 70 86 PRO CA C 66.216 0.075 1 809 70 86 PRO CB C 31.812 0.049 1 810 70 86 PRO CG C 28.528 0.200 1 811 71 87 LEU H H 6.196 0.002 1 812 71 87 LEU HA H 4.007 0.006 1 813 71 87 LEU HB2 H 1.603 0.005 2 814 71 87 LEU HB3 H 1.743 0.013 2 815 71 87 LEU HG H 1.703 0.009 1 816 71 87 LEU HD1 H 0.980 0.005 1 817 71 87 LEU HD2 H 0.875 0.025 1 818 71 87 LEU C C 179.338 0.200 1 819 71 87 LEU CA C 57.617 0.064 1 820 71 87 LEU CB C 41.522 0.057 1 821 71 87 LEU CG C 27.277 0.035 1 822 71 87 LEU CD1 C 25.283 0.045 1 823 71 87 LEU CD2 C 25.283 0.045 1 824 71 87 LEU N N 113.011 0.098 1 825 72 88 LEU H H 7.567 0.010 1 826 72 88 LEU HA H 4.255 0.010 1 827 72 88 LEU HB2 H 1.705 0.006 1 828 72 88 LEU HB3 H 1.705 0.006 1 829 72 88 LEU HG H 0.989 0.003 1 830 72 88 LEU C C 176.843 0.200 1 831 72 88 LEU CA C 57.444 0.114 1 832 72 88 LEU CB C 42.580 0.119 1 833 72 88 LEU CG C 25.783 0.014 1 834 72 88 LEU N N 121.477 0.095 1 835 73 89 CYS H H 8.615 0.002 1 836 73 89 CYS HA H 3.853 0.005 1 837 73 89 CYS HB2 H 3.913 0.005 2 838 73 89 CYS HB3 H 2.752 0.003 2 839 73 89 CYS C C 176.804 0.200 1 840 73 89 CYS CA C 65.104 0.129 1 841 73 89 CYS CB C 27.241 0.095 1 842 73 89 CYS N N 116.939 0.065 1 843 74 90 GLU H H 8.181 0.009 1 844 74 90 GLU HA H 4.267 0.014 1 845 74 90 GLU HB2 H 2.199 0.016 1 846 74 90 GLU HB3 H 2.199 0.016 1 847 74 90 GLU HG2 H 2.528 0.009 2 848 74 90 GLU HG3 H 2.745 0.005 2 849 74 90 GLU CA C 59.398 0.055 1 850 74 90 GLU CB C 29.071 0.158 1 851 74 90 GLU CG C 36.604 0.050 1 852 74 90 GLU N N 119.480 0.137 1 853 75 91 ASP H H 7.769 0.010 1 854 75 91 ASP HA H 4.468 0.014 1 855 75 91 ASP HB2 H 2.835 0.019 1 856 75 91 ASP HB3 H 2.835 0.019 1 857 75 91 ASP C C 177.854 0.200 1 858 75 91 ASP CA C 57.352 0.100 1 859 75 91 ASP CB C 41.587 0.080 1 860 75 91 ASP N N 119.678 0.055 1 861 76 92 LYS H H 7.809 0.009 1 862 76 92 LYS HA H 4.360 0.010 1 863 76 92 LYS HB2 H 1.685 0.014 2 864 76 92 LYS HB3 H 2.236 0.008 2 865 76 92 LYS HG2 H 1.653 0.005 1 866 76 92 LYS HG3 H 1.653 0.005 1 867 76 92 LYS HD2 H 1.561 0.025 1 868 76 92 LYS HD3 H 1.561 0.025 1 869 76 92 LYS HE2 H 2.989 0.021 1 870 76 92 LYS HE3 H 2.989 0.021 1 871 76 92 LYS C C 175.548 0.200 1 872 76 92 LYS CA C 54.497 0.078 1 873 76 92 LYS CB C 32.455 0.046 1 874 76 92 LYS CG C 24.778 0.056 1 875 76 92 LYS CD C 27.943 0.200 1 876 76 92 LYS CE C 42.267 0.200 1 877 76 92 LYS N N 114.728 0.064 1 878 77 93 ASN H H 7.999 0.002 1 879 77 93 ASN HA H 4.419 0.004 1 880 77 93 ASN HB2 H 2.819 0.003 2 881 77 93 ASN HB3 H 3.179 0.006 2 882 77 93 ASN C C 173.896 0.200 1 883 77 93 ASN CA C 54.456 0.086 1 884 77 93 ASN CB C 37.271 0.052 1 885 77 93 ASN N N 117.991 0.043 1 886 78 94 VAL H H 8.436 0.005 1 887 78 94 VAL HA H 4.566 0.004 1 888 78 94 VAL HB H 1.625 0.006 1 889 78 94 VAL HG1 H 0.936 0.007 1 890 78 94 VAL HG2 H 0.936 0.007 1 891 78 94 VAL CA C 59.540 0.085 1 892 78 94 VAL CB C 35.789 0.060 1 893 78 94 VAL CG1 C 22.446 0.101 1 894 78 94 VAL N N 121.705 0.027 1 895 79 95 PRO HA H 4.408 0.007 1 896 79 95 PRO HB2 H 1.783 0.012 2 897 79 95 PRO HB3 H 2.244 0.002 2 898 79 95 PRO HG2 H 2.111 0.012 1 899 79 95 PRO HG3 H 2.111 0.012 1 900 79 95 PRO HD2 H 4.164 0.005 2 901 79 95 PRO HD3 H 4.064 0.006 2 902 79 95 PRO C C 173.767 0.200 1 903 79 95 PRO CA C 63.167 0.022 1 904 79 95 PRO CB C 32.740 0.037 1 905 79 95 PRO CG C 27.859 0.109 1 906 79 95 PRO CD C 51.300 0.200 1 907 80 96 TYR H H 6.801 0.005 1 908 80 96 TYR HA H 5.862 0.025 1 909 80 96 TYR HB2 H 2.312 0.005 2 910 80 96 TYR HB3 H 3.394 0.010 2 911 80 96 TYR HD1 H 7.052 0.025 1 912 80 96 TYR HD2 H 7.052 0.025 1 913 80 96 TYR C C 171.453 0.200 1 914 80 96 TYR CA C 54.339 0.074 1 915 80 96 TYR CB C 41.872 0.045 1 916 80 96 TYR CD1 C 129.637 0.200 3 917 80 96 TYR N N 115.039 0.057 1 918 81 97 VAL H H 7.863 0.003 1 919 81 97 VAL HA H 4.286 0.008 1 920 81 97 VAL HB H 1.938 0.010 1 921 81 97 VAL HG1 H 0.931 0.007 2 922 81 97 VAL HG2 H 0.762 0.010 2 923 81 97 VAL C C 170.859 0.200 1 924 81 97 VAL CA C 59.761 0.044 1 925 81 97 VAL CB C 35.147 0.051 1 926 81 97 VAL CG1 C 22.370 0.055 1 927 81 97 VAL CG2 C 20.025 0.063 1 928 81 97 VAL N N 114.216 0.073 1 929 82 98 PHE H H 8.675 0.008 1 930 82 98 PHE HA H 5.602 0.005 1 931 82 98 PHE HB2 H 2.554 0.009 2 932 82 98 PHE HB3 H 2.942 0.007 2 933 82 98 PHE HD1 H 6.858 0.025 1 934 82 98 PHE HD2 H 6.858 0.025 1 935 82 98 PHE HE1 H 7.324 0.025 1 936 82 98 PHE HE2 H 7.324 0.025 1 937 82 98 PHE C C 176.124 0.200 1 938 82 98 PHE CA C 56.353 0.095 1 939 82 98 PHE CB C 41.120 0.054 1 940 82 98 PHE CD1 C 131.480 0.200 3 941 82 98 PHE CE1 C 131.164 0.200 3 942 82 98 PHE N N 122.273 0.032 1 943 83 99 VAL H H 9.060 0.006 1 944 83 99 VAL HA H 4.907 0.007 1 945 83 99 VAL HB H 2.577 0.008 1 946 83 99 VAL HG1 H 0.878 0.007 2 947 83 99 VAL HG2 H 0.710 0.011 2 948 83 99 VAL C C 176.854 0.200 1 949 83 99 VAL CA C 58.503 0.047 1 950 83 99 VAL CB C 33.596 0.058 1 951 83 99 VAL CG1 C 22.853 0.025 1 952 83 99 VAL CG2 C 18.438 0.058 1 953 83 99 VAL N N 111.264 0.095 1 954 84 100 ARG H H 8.875 0.004 1 955 84 100 ARG HA H 3.889 0.005 1 956 84 100 ARG HB2 H 1.803 0.018 1 957 84 100 ARG HB3 H 1.803 0.018 1 958 84 100 ARG HD2 H 3.203 0.025 1 959 84 100 ARG HD3 H 3.203 0.025 1 960 84 100 ARG C C 176.646 0.200 1 961 84 100 ARG CA C 60.493 0.086 1 962 84 100 ARG CB C 31.273 0.091 1 963 84 100 ARG CG C 29.873 0.200 1 964 84 100 ARG CD C 43.006 0.200 1 965 84 100 ARG N N 119.200 0.030 1 966 85 101 SER H H 7.828 0.027 1 967 85 101 SER HA H 5.375 0.011 1 968 85 101 SER HB2 H 3.874 0.008 1 969 85 101 SER HB3 H 3.874 0.008 1 970 85 101 SER C C 175.645 0.200 1 971 85 101 SER CA C 55.117 0.083 1 972 85 101 SER CB C 64.400 0.115 1 973 85 101 SER N N 107.793 0.135 1 974 86 102 LYS H H 11.459 0.008 1 975 86 102 LYS HA H 4.453 0.008 1 976 86 102 LYS HB2 H 1.565 0.010 1 977 86 102 LYS HB3 H 1.565 0.010 1 978 86 102 LYS HD2 H 1.136 0.011 2 979 86 102 LYS HD3 H 1.528 0.025 2 980 86 102 LYS HE2 H 3.030 0.014 2 981 86 102 LYS HE3 H 2.880 0.002 2 982 86 102 LYS C C 179.122 0.200 1 983 86 102 LYS CA C 57.741 0.081 1 984 86 102 LYS CB C 32.113 0.096 1 985 86 102 LYS CD C 30.438 0.094 1 986 86 102 LYS CE C 42.461 0.129 1 987 86 102 LYS N N 133.405 0.014 1 988 87 103 GLN H H 8.676 0.008 1 989 87 103 GLN HA H 4.072 0.009 1 990 87 103 GLN HB2 H 1.963 0.007 1 991 87 103 GLN HB3 H 1.963 0.007 1 992 87 103 GLN HG2 H 2.378 0.008 1 993 87 103 GLN HG3 H 2.378 0.008 1 994 87 103 GLN C C 178.243 0.200 1 995 87 103 GLN CA C 59.112 0.052 1 996 87 103 GLN CB C 28.277 0.051 1 997 87 103 GLN CG C 33.499 0.049 1 998 87 103 GLN N N 124.914 0.047 1 999 88 104 ALA H H 8.003 0.013 1 1000 88 104 ALA HA H 4.085 0.008 1 1001 88 104 ALA HB H 1.511 0.005 1 1002 88 104 ALA C C 180.838 0.200 1 1003 88 104 ALA CA C 54.656 0.087 1 1004 88 104 ALA CB C 18.225 0.135 1 1005 88 104 ALA N N 124.060 0.060 1 1006 89 105 LEU H H 8.595 0.020 1 1007 89 105 LEU HA H 4.109 0.009 1 1008 89 105 LEU HB2 H 1.143 0.007 2 1009 89 105 LEU HB3 H 2.365 0.005 2 1010 89 105 LEU HG H 1.274 0.009 1 1011 89 105 LEU HD1 H 0.504 0.008 2 1012 89 105 LEU HD2 H 0.775 0.006 2 1013 89 105 LEU C C 178.750 0.200 1 1014 89 105 LEU CA C 57.584 0.059 1 1015 89 105 LEU CB C 41.059 0.075 1 1016 89 105 LEU CG C 27.173 0.028 1 1017 89 105 LEU CD1 C 24.324 0.018 1 1018 89 105 LEU CD2 C 23.167 0.030 1 1019 89 105 LEU N N 120.590 0.043 1 1020 90 106 GLY H H 8.316 0.006 1 1021 90 106 GLY HA2 H 4.283 0.009 2 1022 90 106 GLY HA3 H 3.530 0.006 2 1023 90 106 GLY C C 175.342 0.200 1 1024 90 106 GLY CA C 48.176 0.094 1 1025 90 106 GLY N N 107.442 0.126 1 1026 91 107 ARG H H 7.751 0.003 1 1027 91 107 ARG HA H 4.284 0.008 1 1028 91 107 ARG HB2 H 1.941 0.006 1 1029 91 107 ARG HB3 H 1.941 0.006 1 1030 91 107 ARG HG2 H 1.772 0.003 2 1031 91 107 ARG HG3 H 1.666 0.002 2 1032 91 107 ARG HD2 H 3.187 0.025 1 1033 91 107 ARG HD3 H 3.187 0.025 1 1034 91 107 ARG C C 181.323 0.200 1 1035 91 107 ARG CA C 59.167 0.076 1 1036 91 107 ARG CB C 29.649 0.062 1 1037 91 107 ARG CG C 27.244 0.034 1 1038 91 107 ARG CD C 43.069 0.200 1 1039 91 107 ARG N N 120.502 0.039 1 1040 92 108 ALA H H 7.960 0.006 1 1041 92 108 ALA HA H 4.199 0.008 1 1042 92 108 ALA HB H 1.675 0.007 1 1043 92 108 ALA C C 177.389 0.200 1 1044 92 108 ALA CA C 55.275 0.077 1 1045 92 108 ALA CB C 19.178 0.101 1 1046 92 108 ALA N N 123.964 0.047 1 1047 93 109 CYS H H 7.496 0.006 1 1048 93 109 CYS HA H 4.113 0.006 1 1049 93 109 CYS HB2 H 2.804 0.007 2 1050 93 109 CYS HB3 H 3.206 0.004 2 1051 93 109 CYS C C 174.005 0.200 1 1052 93 109 CYS CA C 60.408 0.099 1 1053 93 109 CYS CB C 27.882 0.089 1 1054 93 109 CYS N N 111.397 0.095 1 1055 94 110 GLY H H 7.928 0.005 1 1056 94 110 GLY HA2 H 4.108 0.013 2 1057 94 110 GLY HA3 H 3.825 0.012 2 1058 94 110 GLY C C 174.721 0.200 1 1059 94 110 GLY CA C 46.134 0.084 1 1060 94 110 GLY N N 107.000 0.099 1 1061 95 111 VAL H H 7.820 0.006 1 1062 95 111 VAL HA H 4.869 0.011 1 1063 95 111 VAL HB H 2.221 0.008 1 1064 95 111 VAL HG1 H 0.851 0.004 2 1065 95 111 VAL HG2 H 0.775 0.005 2 1066 95 111 VAL C C 175.215 0.200 1 1067 95 111 VAL CA C 59.001 0.084 1 1068 95 111 VAL CB C 35.306 0.048 1 1069 95 111 VAL CG1 C 22.778 0.118 1 1070 95 111 VAL CG2 C 19.289 0.110 1 1071 95 111 VAL N N 111.946 0.071 1 1072 96 112 SER H H 8.490 0.016 1 1073 96 112 SER HA H 4.506 0.005 1 1074 96 112 SER HB2 H 3.930 0.011 1 1075 96 112 SER HB3 H 3.930 0.011 1 1076 96 112 SER C C 173.626 0.200 1 1077 96 112 SER CA C 57.246 0.066 1 1078 96 112 SER CB C 62.807 0.018 1 1079 96 112 SER N N 116.287 0.037 1 1080 97 113 ARG H H 7.086 0.003 1 1081 97 113 ARG HA H 4.900 0.006 1 1082 97 113 ARG HB2 H 1.922 0.000 1 1083 97 113 ARG HB3 H 1.922 0.000 1 1084 97 113 ARG CA C 53.043 0.098 1 1085 97 113 ARG CB C 30.351 0.035 1 1086 97 113 ARG N N 118.701 0.039 1 1087 98 114 PRO HA H 4.210 0.008 1 1088 98 114 PRO HB2 H 1.629 0.006 2 1089 98 114 PRO HB3 H 1.821 0.010 2 1090 98 114 PRO HG2 H 2.098 0.003 1 1091 98 114 PRO HG3 H 2.098 0.003 1 1092 98 114 PRO HD2 H 3.677 0.025 1 1093 98 114 PRO HD3 H 3.677 0.025 1 1094 98 114 PRO C C 176.074 0.200 1 1095 98 114 PRO CA C 62.728 0.040 1 1096 98 114 PRO CB C 32.165 0.100 1 1097 98 114 PRO CG C 27.591 0.075 1 1098 98 114 PRO CD C 50.002 0.064 1 1099 99 115 VAL H H 7.552 0.007 1 1100 99 115 VAL HA H 4.368 0.004 1 1101 99 115 VAL HB H 1.371 0.011 1 1102 99 115 VAL HG1 H 0.913 0.010 2 1103 99 115 VAL HG2 H 0.936 0.004 2 1104 99 115 VAL C C 174.505 0.200 1 1105 99 115 VAL CA C 61.324 0.123 1 1106 99 115 VAL CB C 36.030 0.093 1 1107 99 115 VAL CG1 C 23.617 0.050 1 1108 99 115 VAL CG2 C 22.078 0.092 1 1109 99 115 VAL N N 122.127 0.049 1 1110 100 116 ILE H H 8.521 0.003 1 1111 100 116 ILE HA H 4.599 0.005 1 1112 100 116 ILE HB H 2.230 0.012 1 1113 100 116 ILE HG12 H 1.213 0.006 2 1114 100 116 ILE HG13 H 1.408 0.005 2 1115 100 116 ILE HG2 H 0.935 0.009 1 1116 100 116 ILE HD1 H 0.950 0.007 1 1117 100 116 ILE C C 175.068 0.200 1 1118 100 116 ILE CA C 61.042 0.055 1 1119 100 116 ILE CB C 39.135 0.071 1 1120 100 116 ILE CG1 C 25.235 0.070 1 1121 100 116 ILE CG2 C 18.462 0.064 1 1122 100 116 ILE CD1 C 15.225 0.020 1 1123 100 116 ILE N N 115.103 0.104 1 1124 101 117 ALA H H 7.114 0.004 1 1125 101 117 ALA HA H 5.249 0.005 1 1126 101 117 ALA HB H 0.987 0.005 1 1127 101 117 ALA C C 174.703 0.200 1 1128 101 117 ALA CA C 51.127 0.120 1 1129 101 117 ALA CB C 21.468 0.095 1 1130 101 117 ALA N N 119.177 0.028 1 1131 102 118 CYS H H 9.280 0.007 1 1132 102 118 CYS HA H 5.003 0.004 1 1133 102 118 CYS HB2 H 2.867 0.027 2 1134 102 118 CYS HB3 H 2.943 0.014 2 1135 102 118 CYS C C 170.220 0.200 1 1136 102 118 CYS CA C 56.511 0.068 1 1137 102 118 CYS CB C 31.192 0.060 1 1138 102 118 CYS N N 114.438 0.058 1 1139 103 119 SER H H 8.770 0.003 1 1140 103 119 SER HA H 5.092 0.005 1 1141 103 119 SER HB2 H 3.226 0.019 2 1142 103 119 SER HB3 H 3.459 0.008 2 1143 103 119 SER C C 173.881 0.200 1 1144 103 119 SER CA C 54.433 0.100 1 1145 103 119 SER CB C 66.269 0.086 1 1146 103 119 SER N N 113.021 0.080 1 1147 104 120 VAL H H 7.536 0.008 1 1148 104 120 VAL HA H 4.804 0.004 1 1149 104 120 VAL HB H 0.589 0.012 1 1150 104 120 VAL HG1 H 0.750 0.001 2 1151 104 120 VAL HG2 H 0.540 0.007 2 1152 104 120 VAL C C 176.128 0.200 1 1153 104 120 VAL CA C 61.302 0.043 1 1154 104 120 VAL CB C 31.795 0.069 1 1155 104 120 VAL CG1 C 22.102 0.048 1 1156 104 120 VAL CG2 C 22.102 0.048 1 1157 104 120 VAL N N 130.180 0.100 1 1158 105 121 THR H H 8.496 0.004 1 1159 105 121 THR HA H 5.116 0.008 1 1160 105 121 THR HB H 4.304 0.001 1 1161 105 121 THR HG2 H 0.947 0.002 1 1162 105 121 THR C C 173.741 0.200 1 1163 105 121 THR CA C 60.268 0.051 1 1164 105 121 THR CB C 70.571 0.068 1 1165 105 121 THR CG2 C 22.635 0.011 1 1166 105 121 THR N N 118.447 0.050 1 1167 106 122 ILE H H 8.116 0.008 1 1168 106 122 ILE HA H 3.938 0.005 1 1169 106 122 ILE HB H 1.433 0.006 1 1170 106 122 ILE HG2 H 0.785 0.006 1 1171 106 122 ILE HD1 H 0.822 0.006 1 1172 106 122 ILE C C 176.871 0.200 1 1173 106 122 ILE CA C 61.669 0.127 1 1174 106 122 ILE CB C 40.049 0.097 1 1175 106 122 ILE CG1 C 27.704 0.200 1 1176 106 122 ILE CG2 C 16.496 0.068 1 1177 106 122 ILE CD1 C 14.347 0.082 1 1178 106 122 ILE N N 119.519 0.027 1 1179 106 122 ILE HG12 H 1.340 0.002 1 1180 106 122 ILE HG13 H 1.340 0.002 1 1181 107 123 LYS H H 8.932 0.028 1 1182 107 123 LYS HA H 4.542 0.004 1 1183 107 123 LYS HB2 H 1.638 0.009 1 1184 107 123 LYS HB3 H 1.638 0.009 1 1185 107 123 LYS HG2 H 1.295 0.002 2 1186 107 123 LYS HG3 H 1.389 0.025 2 1187 107 123 LYS HD2 H 1.713 0.001 1 1188 107 123 LYS HD3 H 1.713 0.001 1 1189 107 123 LYS HE2 H 3.058 0.008 1 1190 107 123 LYS HE3 H 3.058 0.008 1 1191 107 123 LYS C C 175.593 0.200 1 1192 107 123 LYS CA C 55.460 0.073 1 1193 107 123 LYS CB C 35.574 0.062 1 1194 107 123 LYS CG C 24.616 0.200 1 1195 107 123 LYS CD C 29.381 0.004 1 1196 107 123 LYS CE C 42.416 0.057 1 1197 107 123 LYS N N 131.306 0.152 1 1198 108 124 GLU H H 9.183 0.013 1 1199 108 124 GLU HA H 4.091 0.002 1 1200 108 124 GLU HB2 H 1.976 0.004 1 1201 108 124 GLU HB3 H 1.976 0.004 1 1202 108 124 GLU HG2 H 2.276 0.006 1 1203 108 124 GLU HG3 H 2.276 0.006 1 1204 108 124 GLU C C 177.568 0.200 1 1205 108 124 GLU CA C 58.174 0.049 1 1206 108 124 GLU CB C 29.114 0.019 1 1207 108 124 GLU CG C 35.740 0.081 1 1208 108 124 GLU N N 131.131 0.096 1 1209 109 125 GLY H H 9.075 0.020 1 1210 109 125 GLY HA2 H 4.072 0.008 2 1211 109 125 GLY HA3 H 3.795 0.004 2 1212 109 125 GLY C C 174.743 0.200 1 1213 109 125 GLY CA C 45.684 0.114 1 1214 109 125 GLY N N 114.300 0.062 1 1215 110 126 SER H H 7.465 0.010 1 1216 110 126 SER HA H 4.122 0.005 1 1217 110 126 SER HB2 H 3.716 0.008 1 1218 110 126 SER HB3 H 3.716 0.008 1 1219 110 126 SER C C 178.076 0.200 1 1220 110 126 SER CA C 58.520 0.062 1 1221 110 126 SER CB C 63.673 0.070 1 1222 110 126 SER N N 111.588 0.064 1 1223 111 127 GLN H H 9.247 0.018 1 1224 111 127 GLN HA H 4.306 0.006 1 1225 111 127 GLN HB2 H 1.835 0.005 2 1226 111 127 GLN HB3 H 2.174 0.006 2 1227 111 127 GLN HG2 H 2.458 0.006 1 1228 111 127 GLN HG3 H 2.458 0.006 1 1229 111 127 GLN C C 176.430 0.200 1 1230 111 127 GLN CA C 57.460 0.091 1 1231 111 127 GLN CB C 28.462 0.069 1 1232 111 127 GLN CG C 34.134 0.057 1 1233 111 127 GLN N N 129.097 0.074 1 1234 112 128 LEU H H 8.387 0.009 1 1235 112 128 LEU HA H 4.417 0.006 1 1236 112 128 LEU HB2 H 1.460 0.030 1 1237 112 128 LEU HB3 H 1.460 0.030 1 1238 112 128 LEU HG H 1.034 0.004 1 1239 112 128 LEU HD1 H 0.596 0.007 2 1240 112 128 LEU HD2 H 0.646 0.008 2 1241 112 128 LEU C C 176.897 0.200 1 1242 112 128 LEU CA C 53.907 0.097 1 1243 112 128 LEU CB C 41.938 0.038 1 1244 112 128 LEU CG C 26.256 0.039 1 1245 112 128 LEU CD1 C 22.243 0.053 1 1246 112 128 LEU CD2 C 25.167 0.061 1 1247 112 128 LEU N N 117.383 0.051 1 1248 113 129 LYS H H 7.134 0.005 1 1249 113 129 LYS HA H 3.833 0.002 1 1250 113 129 LYS HB2 H 1.990 0.003 1 1251 113 129 LYS HB3 H 1.990 0.003 1 1252 113 129 LYS HE2 H 2.987 0.031 1 1253 113 129 LYS HE3 H 2.987 0.031 1 1254 113 129 LYS C C 177.027 0.200 1 1255 113 129 LYS CA C 59.926 0.063 1 1256 113 129 LYS CB C 32.868 0.045 1 1257 113 129 LYS CD C 28.806 0.200 1 1258 113 129 LYS CE C 42.293 0.042 1 1259 113 129 LYS N N 119.454 0.060 1 1260 114 130 GLN H H 8.659 0.013 1 1261 114 130 GLN HA H 4.137 0.009 1 1262 114 130 GLN HB2 H 2.111 0.006 1 1263 114 130 GLN HB3 H 2.111 0.006 1 1264 114 130 GLN HG2 H 2.441 0.006 1 1265 114 130 GLN HG3 H 2.441 0.006 1 1266 114 130 GLN HE21 H 7.579 0.025 2 1267 114 130 GLN HE22 H 6.905 0.008 2 1268 114 130 GLN C C 179.124 0.200 1 1269 114 130 GLN CA C 59.641 0.081 1 1270 114 130 GLN CB C 27.934 0.048 1 1271 114 130 GLN CG C 34.424 0.088 1 1272 114 130 GLN N N 117.061 0.048 1 1273 114 130 GLN NE2 N 111.853 0.071 1 1274 115 131 GLN H H 8.107 0.012 1 1275 115 131 GLN HA H 4.358 0.002 1 1276 115 131 GLN HB2 H 2.115 0.025 1 1277 115 131 GLN HB3 H 2.115 0.025 1 1278 115 131 GLN C C 179.100 0.200 1 1279 115 131 GLN CA C 55.920 0.117 1 1280 115 131 GLN CB C 30.004 0.037 1 1281 115 131 GLN CG C 35.147 0.200 1 1282 115 131 GLN N N 120.498 0.065 1 1283 116 132 ILE H H 8.705 0.013 1 1284 116 132 ILE HA H 3.499 0.007 1 1285 116 132 ILE HB H 1.973 0.007 1 1286 116 132 ILE HG12 H 0.862 0.020 2 1287 116 132 ILE HG13 H 1.880 0.007 2 1288 116 132 ILE HG2 H 0.849 0.008 1 1289 116 132 ILE HD1 H 0.714 0.006 1 1290 116 132 ILE C C 177.270 0.200 1 1291 116 132 ILE CA C 66.087 0.049 1 1292 116 132 ILE CB C 38.124 0.058 1 1293 116 132 ILE CG1 C 31.164 0.100 1 1294 116 132 ILE CG2 C 17.063 0.094 1 1295 116 132 ILE CD1 C 14.500 0.035 1 1296 116 132 ILE N N 121.130 0.089 1 1297 117 133 GLN H H 8.600 0.007 1 1298 117 133 GLN HA H 4.543 0.007 1 1299 117 133 GLN HB2 H 2.050 0.016 2 1300 117 133 GLN HB3 H 2.246 0.011 2 1301 117 133 GLN HG2 H 2.599 0.020 1 1302 117 133 GLN HG3 H 2.599 0.020 1 1303 117 133 GLN HE21 H 7.371 0.000 2 1304 117 133 GLN HE22 H 6.988 0.013 2 1305 117 133 GLN C C 179.070 0.200 1 1306 117 133 GLN CA C 58.916 0.067 1 1307 117 133 GLN CB C 28.451 0.068 1 1308 117 133 GLN CG C 34.672 0.087 1 1309 117 133 GLN N N 119.083 0.044 1 1310 117 133 GLN NE2 N 111.787 0.051 1 1311 118 134 SER H H 7.846 0.006 1 1312 118 134 SER HA H 4.225 0.007 1 1313 118 134 SER HB2 H 3.989 0.007 1 1314 118 134 SER HB3 H 3.989 0.007 1 1315 118 134 SER C C 177.796 0.200 1 1316 118 134 SER CA C 61.346 0.064 1 1317 118 134 SER CB C 62.836 0.037 1 1318 118 134 SER N N 113.864 0.082 1 1319 119 135 ILE H H 7.903 0.004 1 1320 119 135 ILE HA H 3.718 0.004 1 1321 119 135 ILE HB H 1.819 0.005 1 1322 119 135 ILE HG12 H 1.227 0.001 2 1323 119 135 ILE HG13 H 1.334 0.006 2 1324 119 135 ILE HG2 H 0.017 0.007 1 1325 119 135 ILE HD1 H 0.613 0.009 1 1326 119 135 ILE C C 177.749 0.200 1 1327 119 135 ILE CA C 62.680 0.082 1 1328 119 135 ILE CB C 35.594 0.072 1 1329 119 135 ILE CG1 C 29.791 0.044 1 1330 119 135 ILE CG2 C 18.218 0.075 1 1331 119 135 ILE CD1 C 11.289 0.049 1 1332 119 135 ILE N N 123.434 0.043 1 1333 120 136 GLN H H 8.803 0.006 1 1334 120 136 GLN HA H 3.470 0.006 1 1335 120 136 GLN HB2 H 2.038 0.015 2 1336 120 136 GLN HB3 H 2.567 0.003 2 1337 120 136 GLN HG2 H 2.613 0.010 2 1338 120 136 GLN HG3 H 2.094 0.004 2 1339 120 136 GLN C C 178.201 0.200 1 1340 120 136 GLN CA C 60.247 0.053 1 1341 120 136 GLN CB C 27.787 0.108 1 1342 120 136 GLN CG C 35.117 0.090 1 1343 120 136 GLN N N 120.604 0.040 1 1344 121 137 GLN H H 7.941 0.004 1 1345 121 137 GLN HA H 4.057 0.002 1 1346 121 137 GLN HB2 H 2.172 0.039 1 1347 121 137 GLN HB3 H 2.172 0.039 1 1348 121 137 GLN C C 178.860 0.200 1 1349 121 137 GLN CA C 58.920 0.045 1 1350 121 137 GLN CB C 28.299 0.097 1 1351 121 137 GLN CG C 34.245 0.200 1 1352 121 137 GLN N N 116.932 0.061 1 1353 122 138 SER H H 7.961 0.010 1 1354 122 138 SER C C 176.371 0.200 1 1355 122 138 SER CB C 62.914 0.038 1 1356 122 138 SER N N 116.458 0.038 1 1357 123 139 ILE H H 8.410 0.006 1 1358 123 139 ILE HA H 3.400 0.004 1 1359 123 139 ILE HB H 1.582 0.007 1 1360 123 139 ILE HG12 H 1.691 0.001 2 1361 123 139 ILE HG13 H 0.363 0.008 2 1362 123 139 ILE HG2 H 0.633 0.007 1 1363 123 139 ILE HD1 H 0.199 0.007 1 1364 123 139 ILE C C 177.385 0.200 1 1365 123 139 ILE CA C 65.563 0.096 1 1366 123 139 ILE CB C 37.882 0.052 1 1367 123 139 ILE CG1 C 28.376 0.059 1 1368 123 139 ILE CG2 C 19.505 0.035 1 1369 123 139 ILE CD1 C 14.086 0.028 1 1370 123 139 ILE N N 121.595 0.033 1 1371 124 140 GLU H H 8.205 0.009 1 1372 124 140 GLU HA H 3.897 0.003 1 1373 124 140 GLU HB2 H 2.101 0.027 1 1374 124 140 GLU HB3 H 2.101 0.027 1 1375 124 140 GLU C C 179.433 0.200 1 1376 124 140 GLU CA C 59.729 0.055 1 1377 124 140 GLU CB C 29.130 0.059 1 1378 124 140 GLU CG C 36.017 0.200 1 1379 124 140 GLU N N 119.039 0.068 1 1380 125 141 ARG H H 7.370 0.007 1 1381 125 141 ARG HA H 4.120 0.011 1 1382 125 141 ARG HB2 H 1.943 0.012 1 1383 125 141 ARG HB3 H 1.943 0.012 1 1384 125 141 ARG HD2 H 3.204 0.015 1 1385 125 141 ARG HD3 H 3.204 0.015 1 1386 125 141 ARG C C 177.595 0.200 1 1387 125 141 ARG CA C 58.157 0.051 1 1388 125 141 ARG CB C 30.328 0.070 1 1389 125 141 ARG CD C 43.385 0.081 1 1390 125 141 ARG N N 115.719 0.066 1 1391 126 142 LEU H H 7.694 0.007 1 1392 126 142 LEU HA H 4.224 0.010 1 1393 126 142 LEU HB2 H 1.949 0.008 2 1394 126 142 LEU HB3 H 1.445 0.009 2 1395 126 142 LEU HG H 0.731 0.006 1 1396 126 142 LEU HD1 H 0.868 0.034 1 1397 126 142 LEU HD2 H 0.868 0.034 1 1398 126 142 LEU C C 177.909 0.200 1 1399 126 142 LEU CA C 55.717 0.077 1 1400 126 142 LEU CB C 41.957 0.048 1 1401 126 142 LEU CG C 25.520 0.036 1 1402 126 142 LEU CD1 C 21.824 0.037 1 1403 126 142 LEU CD2 C 21.824 0.037 1 1404 126 142 LEU N N 117.042 0.103 1 1405 127 143 LEU H H 7.259 0.005 1 1406 127 143 LEU HA H 4.462 0.005 1 1407 127 143 LEU HB2 H 1.725 0.007 2 1408 127 143 LEU HB3 H 1.578 0.015 2 1409 127 143 LEU HG H 0.794 0.009 1 1410 127 143 LEU HD1 H 0.640 0.009 1 1411 127 143 LEU HD2 H 0.640 0.009 1 1412 127 143 LEU C C 176.353 0.200 1 1413 127 143 LEU CA C 54.761 0.073 1 1414 127 143 LEU CB C 42.219 0.051 1 1415 127 143 LEU CG C 25.888 0.030 1 1416 127 143 LEU CD1 C 22.914 0.094 1 1417 127 143 LEU CD2 C 22.914 0.094 1 1418 127 143 LEU N N 118.656 0.072 1 1419 128 144 VAL H H 7.289 0.002 1 1420 128 144 VAL HA H 4.043 0.004 1 1421 128 144 VAL HB H 2.158 0.007 1 1422 128 144 VAL HG1 H 0.960 0.005 1 1423 128 144 VAL HG2 H 0.960 0.005 1 1424 128 144 VAL CA C 63.836 0.053 1 1425 128 144 VAL CB C 32.926 0.056 1 1426 128 144 VAL CG1 C 20.162 0.032 1 1427 128 144 VAL CG2 C 20.162 0.032 1 1428 128 144 VAL N N 122.695 0.038 1 stop_ save_