data_4965 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N, and 13C Assignments and Secondary Structure Identification for Full-length Ribosomal Protein L11 from Thermus thermophilus ; _BMRB_accession_number 4965 _BMRB_flat_file_name bmr4965.str _Entry_type original _Submission_date 2001-03-05 _Accession_date 2001-03-05 _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 Markus Michelle A. . 2 Triantafillidou Dimitra . . 3 Choli-Papadopoulou Theodora . . 4 Torchia Dennis A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 747 "13C chemical shifts" 635 "15N chemical shifts" 146 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-10-06 update BMRB 'relation loop added' 2001-07-30 update BMRB 'citation updated' 2001-04-01 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 7308 'L11 - RNA (- Thiostrepton) complex' 7307 'L11 - RNA complex' 5513 'Free L11 of Thermotoga maritima' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: 1H, 15N, and 13C Assignments and Secondary Structure Identification for Full-length Ribosomal Protein L11 from Thermus thermophilus ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 21410523 _PubMed_ID 11519754 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Markus Michelle A. . 2 Triantafillidou Dimitra . . 3 Choli-Papadopoulou Theodora . . 4 Torchia Dennis A. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 20 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 293 _Page_last 294 _Year 2001 _Details . loop_ _Keyword 'antibiotic target' 'chemical shift assignments' 'ribosomal protein' 'RNA-protein interaction' 'secondary structure' stop_ save_ ################################## # Molecular system description # ################################## save_system_Tth_L11 _Saveframe_category molecular_system _Mol_system_name L11 _Abbreviation_common 'Tth L11' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Tth L11' $L11 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function 'ribosomal protein' 'binds RNA' 'part of the GTPase center' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_L11 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'ribosomal protein L11' _Abbreviation_common L11 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 147 _Mol_residue_sequence ; MKKVVAVVKLQLPAGKATPA PPVGPALGQHGANIMEFVKA FNAATANMGDAIVPVEITIY ADRSFTFVTKTPPASYLIRK AAGLEKGAHKPGREKVGRIT WEQVLEIAKQKMPDLNTTDL EAAARMIAGSARSMGVEVVG APEVKDA ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 LYS 4 VAL 5 VAL 6 ALA 7 VAL 8 VAL 9 LYS 10 LEU 11 GLN 12 LEU 13 PRO 14 ALA 15 GLY 16 LYS 17 ALA 18 THR 19 PRO 20 ALA 21 PRO 22 PRO 23 VAL 24 GLY 25 PRO 26 ALA 27 LEU 28 GLY 29 GLN 30 HIS 31 GLY 32 ALA 33 ASN 34 ILE 35 MET 36 GLU 37 PHE 38 VAL 39 LYS 40 ALA 41 PHE 42 ASN 43 ALA 44 ALA 45 THR 46 ALA 47 ASN 48 MET 49 GLY 50 ASP 51 ALA 52 ILE 53 VAL 54 PRO 55 VAL 56 GLU 57 ILE 58 THR 59 ILE 60 TYR 61 ALA 62 ASP 63 ARG 64 SER 65 PHE 66 THR 67 PHE 68 VAL 69 THR 70 LYS 71 THR 72 PRO 73 PRO 74 ALA 75 SER 76 TYR 77 LEU 78 ILE 79 ARG 80 LYS 81 ALA 82 ALA 83 GLY 84 LEU 85 GLU 86 LYS 87 GLY 88 ALA 89 HIS 90 LYS 91 PRO 92 GLY 93 ARG 94 GLU 95 LYS 96 VAL 97 GLY 98 ARG 99 ILE 100 THR 101 TRP 102 GLU 103 GLN 104 VAL 105 LEU 106 GLU 107 ILE 108 ALA 109 LYS 110 GLN 111 LYS 112 MET 113 PRO 114 ASP 115 LEU 116 ASN 117 THR 118 THR 119 ASP 120 LEU 121 GLU 122 ALA 123 ALA 124 ALA 125 ARG 126 MET 127 ILE 128 ALA 129 GLY 130 SER 131 ALA 132 ARG 133 SER 134 MET 135 GLY 136 VAL 137 GLU 138 VAL 139 VAL 140 GLY 141 ALA 142 PRO 143 GLU 144 VAL 145 LYS 146 ASP 147 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 7314 L11 100.00 147 100.00 100.00 1.03e-99 BMRB 7315 L11 100.00 147 100.00 100.00 1.03e-99 PDB 2E34 "L11 Structure With Rdc And Rg Refinement" 100.00 147 100.00 100.00 1.03e-99 PDB 2E35 "The Minimized Average Structure Of L11 With Rg Refinement" 100.00 147 100.00 100.00 1.03e-99 PDB 2E36 "L11 With Sans Refinement" 100.00 147 100.00 100.00 1.03e-99 PDB 2H8W "Solution Structure Of Ribosomal Protein L11" 100.00 147 100.00 100.00 1.03e-99 PDB 2HGJ "Crystal Structure Of The 70s Thermus Thermophilus Ribosome Showing How The 16s 3'-End Mimicks Mrna E And P Codons. This Entry 2" 100.00 147 100.00 100.00 1.03e-99 PDB 2HGQ "Crystal Structure Of The 70s Thermus Thermophilus Ribosome With Translocated And Rotated Shine-Dalgarno Duplex. This Entry 2hgq" 100.00 147 100.00 100.00 1.03e-99 PDB 2HGU "70s T.Th. Ribosome Functional Complex With Mrna And E- And P-Site Trnas At 4.5a. This Entry 2hgu Contains 50s Ribosomal Subunit" 100.00 147 100.00 100.00 1.03e-99 PDB 2J01 "Structure Of The Thermus Thermophilus 70s Ribosome Complexed With Mrna, Trna And Paromomycin (Part 2 Of 4). This File Contains " 100.00 147 100.00 100.00 1.03e-99 PDB 2J03 "Structure Of The Thermus Thermophilus 70s Ribosome Complexed With Mrna, Trna And Paromomycin (Part 4 Of 4). This File Contains " 100.00 147 100.00 100.00 1.03e-99 PDB 2KLM "Solution Structure Of L11 With Saxs And Rdc" 100.00 147 100.00 100.00 1.03e-99 PDB 2NXN "T. Thermophilus Ribosomal Protein L11 Methyltransferase (Prma) In Complex With Ribosomal Protein L11" 100.00 147 100.00 100.00 1.03e-99 PDB 2WH2 "Insights Into Translational Termination From The Structure Of Rf2 Bound To The Ribosome" 100.00 147 100.00 100.00 1.03e-99 PDB 2WH4 "Insights Into Translational Termination From The Structure Of Rf2 Bound To The Ribosome" 100.00 147 100.00 100.00 1.03e-99 PDB 2WRJ "The Structure Of The Ribosome With Elongation Factor G Trapped In The Post-Translocational State (Part 2 Of 4)." 100.00 147 100.00 100.00 1.03e-99 PDB 2WRL "The Structure Of The Ribosome With Elongation Factor G Trapped In The Post-Translocational State. (Part 4 Of 4)." 100.00 147 100.00 100.00 1.03e-99 PDB 2X9S "Structure Of The 70s Ribosome Bound To Release Factor 2 And A Substrate Analog Provides Insights Into Catalysis Of Peptide Rele" 100.00 147 100.00 100.00 1.03e-99 PDB 2X9U "Structure Of The 70s Ribosome Bound To Release Factor 2 And A Substrate Analog Provides Insights Into Catalysis Of Peptide Rele" 100.00 147 100.00 100.00 1.03e-99 PDB 2XTG "Trna Tranlocation On The 70s Ribosome: The Pre- Translocational Translocation Intermediate Ti(Pre)" 100.00 147 100.00 100.00 1.03e-99 PDB 2XUX "Trna Translocation On The 70s Ribosome: The Post- Translocational Translocation Intermediate Ti(Post)" 100.00 147 100.00 100.00 1.03e-99 PDB 3CJQ "Ribosomal Protein L11 Methyltransferase (Prma) In Complex With Dimethylated Ribosomal Protein L11 In Space Group P212121" 99.32 146 99.32 99.32 6.00e-98 PDB 3CJR "Ribosomal Protein L11 Methyltransferase (prma) In Complex With Ribosomal Protein L11 (k39a) And Inhibitor Sinefungin" 100.00 147 99.32 99.32 7.70e-99 PDB 3CJT "Ribosomal Protein L11 Methyltransferase (prma) In Complex With Dimethylated Ribosomal Protein L11" 100.00 147 100.00 100.00 1.03e-99 PDB 3EGV "Ribosomal Protein L11 Methyltransferase (Prma) In Complex With Trimethylated Ribosomal Protein L11" 99.32 146 99.32 99.32 6.00e-98 PDB 3F1F "Crystal Structure Of A Translation Termination Complex Formed With Release Factor Rf2. This File Contains The 50s Subunit Of On" 100.00 147 100.00 100.00 1.03e-99 PDB 3F1H "Crystal Structure Of A Translation Termination Complex Formed With Release Factor Rf2. This File Contains The 50s Subunit Of Th" 100.00 147 100.00 100.00 1.03e-99 PDB 3FIN "T. Thermophilus 70s Ribosome In Complex With Mrna, Trnas And Ef- Tu.Gdp.Kirromycin Ternary Complex, Fitted To A 6.4 A Cryo-Em M" 93.88 138 100.00 100.00 4.55e-93 PDB 3I8I "Elongation Complex Of The 70s Ribosome With Three Trnas And Entry 3i8i Contains 50s Ribosomal Subnit. The 30s Ribosomal Can Be " 100.00 147 100.00 100.00 1.03e-99 PDB 4JUX "Crystal Structure Of The Ribosome Bound To Elongation Factor G In The Guanosine Triphosphatase State (this File Contains The 50" 100.00 147 100.00 100.00 1.03e-99 PDB 4KBU "70s Ribosome Translocation Intermediate Gdpnp-ii Containing Elongation Factor Efg/gdpnp, Mrna, And Trna Bound In The Pe*/e Stat" 95.24 140 100.00 100.00 2.52e-94 PDB 4KBW "70s Ribosome Translocation Intermediate Gdpnp-ii Containing Elongation Factor Efg/gdpnp, Mrna, And Trna Bound In The Pe*/e Stat" 95.24 140 100.00 100.00 2.52e-94 PDB 4KCZ "70s Ribosome Translocation Intermediate Gdpnp-i Containing Elongation Factor Efg/gdpnp, Mrna, And Trna Bound In The Pe*/e State" 95.24 140 100.00 100.00 2.52e-94 PDB 4KD2 "70s Ribosome Translocation Intermediate Gdpnp-i Containing Elongation Factor Efg/gdpnp, Mrna, And Trna Bound In The Pe*/e State" 95.24 140 100.00 100.00 2.52e-94 PDB 4KD9 "70s Ribosome Translocation Intermediate Fa-3.6a Containing Elongation Factor Efg/fusidic Acid/gdp, Mrna, And Trna Bound In The " 95.24 140 100.00 100.00 2.52e-94 PDB 4KDB "70s Ribosome Translocation Intermediate Fa-3.6a Containing Elongation Factor Efg/fusidic Acid/gdp, Mrna, And Trna Bound In The " 95.24 140 100.00 100.00 2.52e-94 PDB 4KDH "70s Ribosome Translocation Intermediate Fa-4.2a Containing Elongation Factor Efg/fusidic Acid/gdp, Mrna, And Trna Bound In The " 95.24 140 100.00 100.00 2.52e-94 PDB 4KDK "70s Ribosome Translocation Intermediate Fa-4.2a Containing Elongation Factor Efg/fusidic Acid/gdp, Mrna, And Trna Bound In The " 95.24 140 100.00 100.00 2.52e-94 PDB 4KFI "Crystal Structure Of The 70s Ribosome Bound With The Q253p Mutant Of Release Factor Rf2. 50s Of The A Subunit" 100.00 147 100.00 100.00 1.03e-99 PDB 4KFL "Crystal Structure Of The 70s Ribosome Bound With The Q253p Mutant Of Release Factor Rf2. 50s Of The B Subunit" 100.00 147 100.00 100.00 1.03e-99 PDB 4QJS "Crystal Structure Of Elongation Factor 4 (ef4/lepa) Bound To The Thermus Thermophilus 70s Ribosome, 50s Subunit Of The 70s Ribo" 100.00 147 100.00 100.00 1.03e-99 DBJ BAD70070 "50S ribosomal protein L11 [Thermus thermophilus HB8]" 100.00 147 100.00 100.00 1.03e-99 EMBL CAA57138 "ribosomal protein L11 [Thermus thermophilus]" 100.00 147 100.00 100.00 1.03e-99 GB AAS82080 "LSU ribosomal protein L11P [Thermus thermophilus HB27]" 100.00 147 100.00 100.00 1.03e-99 GB ADW20820 "50S ribosomal protein L11 [Thermus scotoductus SA-01]" 100.00 147 97.96 100.00 8.98e-99 GB AEG32574 "ribosomal protein L11 [Thermus thermophilus SG0.5JP17-16]" 100.00 147 99.32 100.00 4.27e-99 GB AEV17153 "50S ribosomal protein L11 [Thermus sp. CCB_US3_UF1]" 100.00 147 97.28 100.00 7.98e-98 GB AFH38065 "50S ribosomal protein L11 [Thermus thermophilus JL-18]" 100.00 147 97.96 99.32 3.40e-98 PIR S66576 "ribosomal protein L11 - Thermus aquaticus" 100.00 147 100.00 100.00 1.03e-99 PRF 2004301A "ribosomal protein L11" 100.00 147 97.28 97.28 1.24e-96 REF WP_008630514 "MULTISPECIES: 50S ribosomal protein L11 [Thermus]" 100.00 147 99.32 100.00 4.27e-99 REF WP_011174097 "50S ribosomal protein L11 [Thermus thermophilus]" 100.00 147 100.00 100.00 1.03e-99 REF WP_014516502 "50S ribosomal protein L11 [Thermus sp. CCB_US3_UF1]" 100.00 147 97.28 100.00 7.98e-98 REF WP_014628913 "50S ribosomal protein L11 [Thermus thermophilus]" 100.00 147 97.96 99.32 3.40e-98 REF WP_015716108 "MULTISPECIES: 50S ribosomal protein L11 [Thermus]" 100.00 147 97.96 100.00 8.98e-99 SP P36238 "RecName: Full=50S ribosomal protein L11 [Thermus thermophilus]" 100.00 147 100.00 100.00 1.03e-99 SP P62442 "RecName: Full=50S ribosomal protein L11 [Thermus thermophilus HB27]" 100.00 147 100.00 100.00 1.03e-99 SP Q5SLP6 "RecName: Full=50S ribosomal protein L11 [Thermus thermophilus HB8]" 100.00 147 100.00 100.00 1.03e-99 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $L11 . 274 Eubacteria . Thermus thermophilus 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 $L11 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3) plasmid pET11a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $L11 1.06 mM '[U-99% 15N]' KH2PO4 10 mM . KCl 70 mM . 'sodium azide' 0.1 mM . stop_ save_ save_13C_15N_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $L11 1.12 mM '[U-99% 15N; U-95% 13C]' KH2PO4 10 mM . KCl 70 mM . 'sodium azide' 0.1 mM . stop_ save_ save_13C_15N_in_D2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $L11 0.886 mM '[U-99% 15N; U-95% 13C]' D2O 100 % . KH2PO4 10 mM . KCl 70 mM . 'sodium azide' 0.1 mM . stop_ save_ ############################ # Computer software used # ############################ save_nmrDraw _Saveframe_category software _Name nmrDraw _Version . loop_ _Task 'data processing' stop_ _Details . save_ save_nmrPipe _Saveframe_category software _Name nmrPipe _Version . loop_ _Task 'data processing' stop_ _Details . save_ save_PIPP _Saveframe_category software _Name PIPP _Version . loop_ _Task 'interactive peak-picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer DMX _Model Bruker _Field_strength 500 _Details 'We used two different spectrometers. One was equipped with a cryoprobe.' save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer DMX _Model Bruker _Field_strength 750 _Details 'Some of the NOESY spectra were recorded on this spectrometer.' save_ ############################# # NMR applied experiments # ############################# save_15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '15N HSQC' _Sample_label . save_ save_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HCACO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HCACO _Sample_label . save_ save_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH _Sample_label . save_ save_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CO)NH _Sample_label . save_ save_H(CCO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCO)NH _Sample_label . save_ save_HNHA_10 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_HNHB_11 _Saveframe_category NMR_applied_experiment _Experiment_name HNHB _Sample_label . save_ save_HAHB_12 _Saveframe_category NMR_applied_experiment _Experiment_name HAHB _Sample_label . save_ save_LRCC_13 _Saveframe_category NMR_applied_experiment _Experiment_name LRCC _Sample_label . save_ save_2D_1H-1H_TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label . save_ save_13C-separated_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-separated NOESY' _Sample_label . save_ save_15N-separated_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-separated NOESY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HCACO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CO)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 HNHA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name HNHB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name HAHB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name LRCC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_15 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_16 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_NMR_buffer _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.2 n/a temperature 298 0.5 K 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 TSP H 1 'methyl protons' ppm 0.000 external direct cylindrical external parallel . TSP C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 'liquid ammonia' N 15 nitrogen ppm . external indirect . . . . 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_L11_shifts _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '15N HSQC' HNCACB CBCA(CO)NH HNCO HCACO C(CO)NH HCCH-TOCSY HBHA(CO)NH H(CCO)NH HNHA HNHB HAHB LRCC '2D 1H-1H TOCSY' '13C-separated NOESY' '15N-separated NOESY' stop_ _Sample_conditions_label $NMR_buffer _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Tth L11' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 MET HA H 4.04 0.03 1 2 . 1 MET HB3 H 2.14 0.03 2 3 . 1 MET HG3 H 2.64 0.03 2 4 . 1 MET HE H 2.14 0.03 1 5 . 1 MET C C 175.25 0.50 1 6 . 1 MET CA C 63.76 0.50 1 7 . 1 MET CB C 33.45 0.50 1 8 . 1 MET CG C 31.13 0.50 1 9 . 1 MET CE C 16.80 0.50 1 10 . 2 LYS HA H 4.35 0.03 1 11 . 2 LYS HB3 H 1.65 0.03 2 12 . 2 LYS HB2 H 1.44 0.03 2 13 . 2 LYS HG3 H 1.26 0.03 2 14 . 2 LYS HD3 H 1.28 0.03 2 15 . 2 LYS HD2 H 1.06 0.03 2 16 . 2 LYS HE3 H 2.55 0.03 2 17 . 2 LYS HE2 H 2.51 0.03 2 18 . 2 LYS C C 175.49 0.50 1 19 . 2 LYS CA C 56.40 0.50 1 20 . 2 LYS CB C 34.06 0.50 1 21 . 2 LYS CG C 25.15 0.50 1 22 . 2 LYS CD C 29.11 0.50 1 23 . 2 LYS CE C 41.89 0.50 1 24 . 3 LYS H H 8.61 0.03 1 25 . 3 LYS HA H 4.37 0.03 1 26 . 3 LYS HB3 H 1.81 0.03 2 27 . 3 LYS HB2 H 1.73 0.03 2 28 . 3 LYS HG3 H 1.48 0.03 2 29 . 3 LYS HG2 H 1.36 0.03 2 30 . 3 LYS HD3 H 1.72 0.03 2 31 . 3 LYS HE3 H 3.01 0.03 2 32 . 3 LYS C C 175.94 0.50 1 33 . 3 LYS CA C 56.36 0.50 1 34 . 3 LYS CB C 33.62 0.50 1 35 . 3 LYS CG C 24.86 0.50 1 36 . 3 LYS CD C 29.16 0.50 1 37 . 3 LYS CE C 42.45 0.50 1 38 . 3 LYS N N 123.19 0.25 1 39 . 4 VAL H H 8.69 0.03 1 40 . 4 VAL HA H 3.76 0.03 1 41 . 4 VAL HB H 1.91 0.03 1 42 . 4 VAL HG1 H 0.94 0.03 2 43 . 4 VAL HG2 H 0.68 0.03 2 44 . 4 VAL C C 177.01 0.50 1 45 . 4 VAL CA C 63.96 0.50 1 46 . 4 VAL CB C 33.26 0.50 1 47 . 4 VAL CG1 C 22.43 0.50 2 48 . 4 VAL CG2 C 21.52 0.50 2 49 . 4 VAL N N 127.14 0.25 1 50 . 5 VAL H H 9.18 0.03 1 51 . 5 VAL HA H 4.34 0.03 1 52 . 5 VAL HB H 1.96 0.03 1 53 . 5 VAL HG1 H 0.87 0.03 2 54 . 5 VAL HG2 H 0.71 0.03 2 55 . 5 VAL C C 175.45 0.50 1 56 . 5 VAL CA C 62.09 0.50 1 57 . 5 VAL CB C 32.89 0.50 1 58 . 5 VAL CG1 C 20.94 0.50 2 59 . 5 VAL CG2 C 19.56 0.50 2 60 . 5 VAL N N 122.84 0.25 1 61 . 6 ALA H H 7.56 0.03 1 62 . 6 ALA HA H 4.31 0.03 1 63 . 6 ALA HB H 0.67 0.03 1 64 . 6 ALA C C 174.19 0.50 1 65 . 6 ALA CA C 52.29 0.50 1 66 . 6 ALA CB C 21.43 0.50 1 67 . 6 ALA N N 121.30 0.25 1 68 . 7 VAL H H 8.03 0.03 1 69 . 7 VAL HA H 4.82 0.03 1 70 . 7 VAL HB H 1.77 0.03 1 71 . 7 VAL HG1 H 0.84 0.03 2 72 . 7 VAL HG2 H 0.68 0.03 2 73 . 7 VAL C C 175.91 0.50 1 74 . 7 VAL CA C 61.67 0.50 1 75 . 7 VAL CB C 33.61 0.50 1 76 . 7 VAL CG1 C 20.67 0.50 2 77 . 7 VAL CG2 C 20.55 0.50 2 78 . 7 VAL N N 119.34 0.25 1 79 . 8 VAL H H 9.46 0.03 1 80 . 8 VAL HA H 4.23 0.03 1 81 . 8 VAL HB H 1.76 0.03 1 82 . 8 VAL HG1 H 0.77 0.03 2 83 . 8 VAL HG2 H 0.80 0.03 2 84 . 8 VAL C C 174.29 0.50 1 85 . 8 VAL CA C 60.99 0.50 1 86 . 8 VAL CB C 34.75 0.50 1 87 . 8 VAL CG1 C 21.11 0.50 2 88 . 8 VAL CG2 C 20.70 0.50 2 89 . 8 VAL N N 128.76 0.25 1 90 . 9 LYS H H 8.65 0.03 1 91 . 9 LYS HA H 5.22 0.03 1 92 . 9 LYS HB2 H 1.69 0.03 1 93 . 9 LYS HB3 H 1.89 0.03 1 94 . 9 LYS HG3 H 1.38 0.03 2 95 . 9 LYS HG2 H 1.21 0.03 2 96 . 9 LYS HD3 H 1.66 0.03 2 97 . 9 LYS HE3 H 2.85 0.03 2 98 . 9 LYS C C 175.42 0.50 1 99 . 9 LYS CA C 55.50 0.50 1 100 . 9 LYS CB C 33.52 0.50 1 101 . 9 LYS CG C 25.58 0.50 1 102 . 9 LYS CD C 29.53 0.50 1 103 . 9 LYS CE C 42.28 0.50 1 104 . 9 LYS N N 127.26 0.25 1 105 . 10 LEU H H 8.47 0.03 1 106 . 10 LEU HA H 4.76 0.03 1 107 . 10 LEU HB3 H 1.23 0.03 2 108 . 10 LEU HG H 1.26 0.03 2 109 . 10 LEU HD1 H 0.43 0.03 2 110 . 10 LEU HD2 H 0.74 0.03 2 111 . 10 LEU C C 175.36 0.50 1 112 . 10 LEU CA C 52.95 0.50 1 113 . 10 LEU CB C 47.10 0.50 1 114 . 10 LEU CG C 26.70 0.50 1 115 . 10 LEU CD1 C 26.53 0.50 2 116 . 10 LEU CD2 C 23.06 0.50 2 117 . 10 LEU N N 121.67 0.25 1 118 . 11 GLN H H 8.38 0.03 1 119 . 11 GLN HA H 4.96 0.03 1 120 . 11 GLN HB2 H 1.87 0.03 1 121 . 11 GLN HB3 H 1.73 0.03 1 122 . 11 GLN HG3 H 2.27 0.03 2 123 . 11 GLN HG2 H 2.10 0.03 2 124 . 11 GLN HE21 H 7.39 0.03 2 125 . 11 GLN HE22 H 6.70 0.03 2 126 . 11 GLN C C 174.81 0.50 1 127 . 11 GLN CA C 55.39 0.50 1 128 . 11 GLN CB C 29.66 0.50 1 129 . 11 GLN CG C 33.68 0.50 1 130 . 11 GLN CD C 180.07 0.50 1 131 . 11 GLN N N 119.87 0.25 1 132 . 11 GLN NE2 N 110.17 0.25 1 133 . 12 LEU H H 8.27 0.03 1 134 . 12 LEU HA H 4.99 0.03 1 135 . 12 LEU HB3 H 1.40 0.03 2 136 . 12 LEU HG H 1.17 0.03 2 137 . 12 LEU HD1 H 0.05 0.03 2 138 . 12 LEU HD2 H 0.80 0.03 2 139 . 12 LEU CA C 51.12 0.50 1 140 . 12 LEU CB C 45.61 0.50 1 141 . 12 LEU CG C 26.14 0.50 1 142 . 12 LEU CD1 C 24.89 0.50 2 143 . 12 LEU CD2 C 23.40 0.50 2 144 . 12 LEU N N 122.50 0.25 1 145 . 13 PRO HA H 4.72 0.03 1 146 . 13 PRO HB3 H 2.12 0.03 2 147 . 13 PRO HB2 H 1.87 0.03 2 148 . 13 PRO HG3 H 2.12 0.03 2 149 . 13 PRO HG2 H 2.02 0.03 2 150 . 13 PRO HD3 H 3.74 0.03 2 151 . 13 PRO HD2 H 3.50 0.03 2 152 . 13 PRO C C 176.51 0.50 1 153 . 13 PRO CA C 62.13 0.50 1 154 . 13 PRO CB C 31.51 0.50 1 155 . 13 PRO CG C 27.38 0.50 1 156 . 13 PRO CD C 50.15 0.50 1 157 . 14 ALA H H 8.75 0.03 1 158 . 14 ALA HA H 3.89 0.03 1 159 . 14 ALA HB H 1.54 0.03 1 160 . 14 ALA C C 179.07 0.50 1 161 . 14 ALA CA C 53.71 0.50 1 162 . 14 ALA CB C 18.93 0.50 1 163 . 14 ALA N N 126.95 0.25 1 164 . 15 GLY H H 8.65 0.03 1 165 . 15 GLY HA3 H 4.04 0.03 2 166 . 15 GLY HA2 H 3.58 0.03 2 167 . 15 GLY C C 174.44 0.50 1 168 . 15 GLY CA C 46.06 0.50 1 169 . 15 GLY N N 108.72 0.25 1 170 . 16 LYS H H 7.70 0.03 1 171 . 16 LYS HA H 4.63 0.03 1 172 . 16 LYS HB2 H 1.31 0.03 1 173 . 16 LYS HB3 H 2.12 0.03 1 174 . 16 LYS HG3 H 1.49 0.03 2 175 . 16 LYS HD3 H 1.68 0.03 2 176 . 16 LYS HE3 H 3.02 0.03 2 177 . 16 LYS C C 176.25 0.50 1 178 . 16 LYS CA C 55.41 0.50 1 179 . 16 LYS CB C 34.03 0.50 1 180 . 16 LYS CG C 24.45 0.50 1 181 . 16 LYS CD C 29.31 0.50 1 182 . 16 LYS CE C 42.41 0.50 1 183 . 16 LYS N N 119.70 0.25 1 184 . 17 ALA H H 9.86 0.03 1 185 . 17 ALA HA H 4.46 0.03 1 186 . 17 ALA HB H 1.33 0.03 1 187 . 17 ALA C C 177.14 0.50 1 188 . 17 ALA CA C 53.32 0.50 1 189 . 17 ALA CB C 19.57 0.50 1 190 . 17 ALA N N 124.90 0.25 1 191 . 18 THR H H 7.87 0.03 1 192 . 18 THR HA H 4.84 0.03 1 193 . 18 THR HB H 4.62 0.03 1 194 . 18 THR HG2 H 1.24 0.03 1 195 . 18 THR C C 172.10 0.50 1 196 . 18 THR CA C 59.29 0.50 1 197 . 18 THR CB C 69.95 0.50 1 198 . 18 THR CG2 C 21.27 0.50 1 199 . 18 THR N N 111.04 0.25 1 200 . 19 PRO HA H 4.10 0.03 1 201 . 19 PRO HB3 H 2.23 0.03 2 202 . 19 PRO HB2 H 2.00 0.03 2 203 . 19 PRO HG3 H 2.06 0.03 2 204 . 19 PRO HG2 H 1.87 0.03 2 205 . 19 PRO HD3 H 3.86 0.03 2 206 . 19 PRO HD2 H 3.71 0.03 2 207 . 19 PRO C C 176.03 0.50 1 208 . 19 PRO CA C 63.51 0.50 1 209 . 19 PRO CB C 32.35 0.50 1 210 . 19 PRO CG C 27.96 0.50 1 211 . 19 PRO CD C 50.93 0.50 1 212 . 20 ALA H H 7.34 0.03 1 213 . 20 ALA HA H 4.45 0.03 1 214 . 20 ALA HB H 1.39 0.03 1 215 . 20 ALA C C 175.06 0.50 1 216 . 20 ALA CA C 51.46 0.50 1 217 . 20 ALA CB C 17.12 0.50 1 218 . 20 ALA N N 121.05 0.25 1 219 . 22 PRO HA H 4.53 0.03 1 220 . 22 PRO HB3 H 2.39 0.03 2 221 . 22 PRO HB2 H 2.16 0.03 2 222 . 22 PRO HG3 H 1.56 0.03 2 223 . 22 PRO HD3 H 3.62 0.03 2 224 . 22 PRO HD2 H 3.56 0.03 2 225 . 22 PRO C C 176.92 0.50 1 226 . 22 PRO CA C 64.10 0.50 1 227 . 22 PRO CB C 35.21 0.50 1 228 . 22 PRO CG C 24.78 0.50 1 229 . 22 PRO CD C 49.82 0.50 1 230 . 23 VAL H H 8.14 0.03 1 231 . 23 VAL HA H 3.19 0.03 1 232 . 23 VAL HB H 2.42 0.03 1 233 . 23 VAL HG1 H 1.02 0.03 2 234 . 23 VAL HG2 H 0.74 0.03 2 235 . 23 VAL C C 177.27 0.50 1 236 . 23 VAL CA C 67.40 0.50 1 237 . 23 VAL CB C 31.73 0.50 1 238 . 23 VAL CG1 C 24.98 0.50 2 239 . 23 VAL CG2 C 21.92 0.50 2 240 . 23 VAL N N 126.56 0.25 1 241 . 24 GLY H H 6.77 0.03 1 242 . 24 GLY HA3 H 4.13 0.03 2 243 . 24 GLY HA2 H 3.72 0.03 2 244 . 24 GLY C C 174.80 0.50 1 245 . 24 GLY CA C 49.09 0.50 1 246 . 24 GLY N N 102.35 0.25 1 247 . 25 PRO HA H 4.28 0.03 1 248 . 25 PRO HB3 H 2.39 0.03 2 249 . 25 PRO HB2 H 1.83 0.03 2 250 . 25 PRO HG3 H 2.06 0.03 2 251 . 25 PRO HG2 H 1.99 0.03 2 252 . 25 PRO HD3 H 3.57 0.03 2 253 . 25 PRO HD2 H 3.33 0.03 2 254 . 25 PRO C C 178.72 0.50 1 255 . 25 PRO CA C 64.56 0.50 1 256 . 25 PRO CB C 31.87 0.50 1 257 . 25 PRO CG C 27.91 0.50 1 258 . 25 PRO CD C 50.56 0.50 1 259 . 26 ALA H H 6.93 0.03 1 260 . 26 ALA HA H 4.15 0.03 1 261 . 26 ALA HB H 1.40 0.03 1 262 . 26 ALA C C 178.66 0.50 1 263 . 26 ALA CA C 54.56 0.50 1 264 . 26 ALA CB C 18.85 0.50 1 265 . 26 ALA N N 116.79 0.25 1 266 . 27 LEU H H 7.61 0.03 1 267 . 27 LEU HA H 4.13 0.03 1 268 . 27 LEU HB2 H 1.48 0.03 1 269 . 27 LEU HB3 H 1.24 0.03 1 270 . 27 LEU HG H 1.26 0.03 2 271 . 27 LEU HD1 H 0.27 0.03 2 272 . 27 LEU HD2 H 0.19 0.03 2 273 . 27 LEU C C 179.91 0.50 1 274 . 27 LEU CA C 56.91 0.50 1 275 . 27 LEU CB C 42.27 0.50 1 276 . 27 LEU CG C 29.47 0.50 1 277 . 27 LEU CD1 C 24.69 0.50 2 278 . 27 LEU CD2 C 23.97 0.50 2 279 . 27 LEU N N 113.85 0.25 1 280 . 28 GLY H H 8.84 0.03 1 281 . 28 GLY HA3 H 4.07 0.03 2 282 . 28 GLY HA2 H 3.95 0.03 2 283 . 28 GLY C C 177.73 0.50 1 284 . 28 GLY CA C 47.05 0.50 1 285 . 28 GLY N N 108.91 0.25 1 286 . 29 GLN H H 7.43 0.03 1 287 . 29 GLN HA H 4.04 0.03 1 288 . 29 GLN HB2 H 1.57 0.03 1 289 . 29 GLN HB3 H 1.98 0.03 1 290 . 29 GLN HG3 H 1.93 0.03 2 291 . 29 GLN HG2 H 1.51 0.03 2 292 . 29 GLN HE21 H 7.37 0.03 2 293 . 29 GLN HE22 H 6.77 0.03 2 294 . 29 GLN C C 175.78 0.50 1 295 . 29 GLN CA C 57.83 0.50 1 296 . 29 GLN CB C 27.95 0.50 1 297 . 29 GLN CG C 32.53 0.50 1 298 . 29 GLN CD C 179.91 0.50 1 299 . 29 GLN N N 118.44 0.25 1 300 . 29 GLN NE2 N 111.35 0.25 1 301 . 30 HIS H H 6.78 0.03 1 302 . 30 HIS HA H 4.82 0.03 1 303 . 30 HIS HB2 H 3.34 0.03 1 304 . 30 HIS HB3 H 2.60 0.03 1 305 . 30 HIS HD2 H 6.99 0.03 1 306 . 30 HIS HE1 H 7.70 0.03 1 307 . 30 HIS C C 175.35 0.50 1 308 . 30 HIS CA C 55.09 0.50 1 309 . 30 HIS CB C 32.91 0.50 1 310 . 30 HIS CD2 C 119.47 0.50 1 311 . 30 HIS CE1 C 138.99 0.50 1 312 . 30 HIS N N 114.11 0.25 1 313 . 31 GLY H H 7.75 0.03 1 314 . 31 GLY HA3 H 4.09 0.03 2 315 . 31 GLY HA2 H 3.91 0.03 2 316 . 31 GLY C C 173.94 0.50 1 317 . 31 GLY CA C 46.00 0.50 1 318 . 31 GLY N N 105.63 0.25 1 319 . 32 ALA H H 7.11 0.03 1 320 . 32 ALA HA H 4.63 0.03 1 321 . 32 ALA HB H 1.23 0.03 1 322 . 32 ALA C C 176.11 0.50 1 323 . 32 ALA CA C 51.34 0.50 1 324 . 32 ALA CB C 19.82 0.50 1 325 . 32 ALA N N 119.70 0.25 1 326 . 33 ASN H H 9.31 0.03 1 327 . 33 ASN HA H 4.58 0.03 1 328 . 33 ASN HB2 H 2.83 0.03 1 329 . 33 ASN HB3 H 3.34 0.03 1 330 . 33 ASN HD21 H 7.87 0.03 2 331 . 33 ASN HD22 H 6.97 0.03 2 332 . 33 ASN C C 174.76 0.50 1 333 . 33 ASN CA C 53.79 0.50 1 334 . 33 ASN CB C 37.81 0.50 1 335 . 33 ASN CG C 177.50 0.50 1 336 . 33 ASN N N 119.48 0.25 1 337 . 33 ASN ND2 N 113.50 0.25 1 338 . 34 ILE H H 7.92 0.03 1 339 . 34 ILE HA H 3.32 0.03 1 340 . 34 ILE HB H 1.78 0.03 1 341 . 34 ILE HG13 H 1.78 0.03 2 342 . 34 ILE HG12 H 1.08 0.03 2 343 . 34 ILE HG2 H 0.91 0.03 1 344 . 34 ILE HD1 H 1.03 0.03 1 345 . 34 ILE C C 177.50 0.50 1 346 . 34 ILE CA C 65.50 0.50 1 347 . 34 ILE CB C 39.25 0.50 1 348 . 34 ILE CG1 C 29.42 0.50 1 349 . 34 ILE CG2 C 18.61 0.50 1 350 . 34 ILE CD1 C 14.62 0.50 1 351 . 34 ILE N N 126.87 0.25 1 352 . 35 MET H H 8.28 0.03 1 353 . 35 MET HA H 4.34 0.03 1 354 . 35 MET HB2 H 2.12 0.03 1 355 . 35 MET HB3 H 2.23 0.03 1 356 . 35 MET HG3 H 2.78 0.03 2 357 . 35 MET HG2 H 2.66 0.03 2 358 . 35 MET HE H 2.12 0.03 1 359 . 35 MET C C 179.28 0.50 1 360 . 35 MET CA C 57.09 0.50 1 361 . 35 MET CB C 30.24 0.50 1 362 . 35 MET CG C 32.43 0.50 1 363 . 35 MET CE C 16.11 0.50 1 364 . 35 MET N N 116.12 0.25 1 365 . 36 GLU H H 8.03 0.03 1 366 . 36 GLU HA H 4.10 0.03 1 367 . 36 GLU HB2 H 2.20 0.03 1 368 . 36 GLU HB3 H 2.39 0.03 1 369 . 36 GLU HG3 H 2.50 0.03 2 370 . 36 GLU HG2 H 2.37 0.03 2 371 . 36 GLU C C 179.86 0.50 1 372 . 36 GLU CA C 59.27 0.50 1 373 . 36 GLU CB C 29.55 0.50 1 374 . 36 GLU CG C 36.37 0.50 1 375 . 36 GLU CD C 182.91 0.50 1 376 . 36 GLU N N 119.51 0.25 1 377 . 37 PHE H H 7.84 0.03 1 378 . 37 PHE HA H 3.98 0.03 1 379 . 37 PHE HB3 H 2.60 0.03 2 380 . 37 PHE HB2 H 2.11 0.03 2 381 . 37 PHE HD1 H 6.47 0.03 3 382 . 37 PHE HZ H 6.26 0.03 1 383 . 37 PHE C C 175.15 0.50 1 384 . 37 PHE CA C 62.27 0.50 1 385 . 37 PHE CB C 37.67 0.50 1 386 . 37 PHE CD1 C 131.58 0.50 3 387 . 37 PHE CZ C 129.52 0.50 1 388 . 37 PHE N N 119.57 0.25 1 389 . 38 VAL H H 8.40 0.03 1 390 . 38 VAL HA H 2.69 0.03 1 391 . 38 VAL HB H 2.07 0.03 1 392 . 38 VAL HG1 H 0.79 0.03 2 393 . 38 VAL HG2 H 0.71 0.03 2 394 . 38 VAL C C 177.06 0.50 1 395 . 38 VAL CA C 67.32 0.50 1 396 . 38 VAL CB C 31.72 0.50 1 397 . 38 VAL CG1 C 23.49 0.50 2 398 . 38 VAL CG2 C 21.97 0.50 2 399 . 38 VAL N N 119.41 0.25 1 400 . 39 LYS H H 7.92 0.03 1 401 . 39 LYS HA H 3.96 0.03 1 402 . 39 LYS HB3 H 1.87 0.03 2 403 . 39 LYS HG3 H 1.63 0.03 2 404 . 39 LYS HG2 H 1.44 0.03 2 405 . 39 LYS HD3 H 1.70 0.03 2 406 . 39 LYS HE3 H 2.96 0.03 2 407 . 39 LYS C C 179.70 0.50 1 408 . 39 LYS CA C 59.61 0.50 1 409 . 39 LYS CB C 32.79 0.50 1 410 . 39 LYS CG C 25.11 0.50 1 411 . 39 LYS CD C 29.51 0.50 1 412 . 39 LYS CE C 42.00 0.50 1 413 . 39 LYS N N 116.19 0.25 1 414 . 40 ALA H H 7.88 0.03 1 415 . 40 ALA HA H 4.28 0.03 1 416 . 40 ALA HB H 1.81 0.03 1 417 . 40 ALA C C 181.11 0.50 1 418 . 40 ALA CA C 55.04 0.50 1 419 . 40 ALA CB C 19.11 0.50 1 420 . 40 ALA N N 121.78 0.25 1 421 . 41 PHE H H 9.10 0.03 1 422 . 41 PHE HA H 3.60 0.03 1 423 . 41 PHE HB3 H 1.95 0.03 2 424 . 41 PHE HB2 H 1.47 0.03 2 425 . 41 PHE HD1 H 7.44 0.03 3 426 . 41 PHE HE1 H 7.30 0.03 3 427 . 41 PHE HZ H 7.10 0.03 1 428 . 41 PHE C C 178.97 0.50 1 429 . 41 PHE CA C 61.95 0.50 1 430 . 41 PHE CB C 38.33 0.50 1 431 . 41 PHE CD1 C 131.24 0.50 3 432 . 41 PHE CE1 C 132.04 0.50 3 433 . 41 PHE CZ C 129.57 0.50 1 434 . 41 PHE N N 121.37 0.25 1 435 . 42 ASN H H 8.59 0.03 1 436 . 42 ASN HA H 4.17 0.03 1 437 . 42 ASN HB2 H 2.63 0.03 1 438 . 42 ASN HB3 H 2.83 0.03 1 439 . 42 ASN HD21 H 7.18 0.03 2 440 . 42 ASN HD22 H 7.10 0.03 2 441 . 42 ASN C C 177.58 0.50 1 442 . 42 ASN CA C 55.78 0.50 1 443 . 42 ASN CB C 36.04 0.50 1 444 . 42 ASN CG C 174.51 0.50 1 445 . 42 ASN N N 121.74 0.25 1 446 . 42 ASN ND2 N 106.63 0.25 1 447 . 43 ALA H H 7.74 0.03 1 448 . 43 ALA HA H 4.23 0.03 1 449 . 43 ALA HB H 1.52 0.03 1 450 . 43 ALA C C 180.29 0.50 1 451 . 43 ALA CA C 54.81 0.50 1 452 . 43 ALA CB C 18.18 0.50 1 453 . 43 ALA N N 120.68 0.25 1 454 . 44 ALA H H 7.82 0.03 1 455 . 44 ALA HA H 4.30 0.03 1 456 . 44 ALA HB H 1.66 0.03 1 457 . 44 ALA C C 179.55 0.50 1 458 . 44 ALA CA C 54.25 0.50 1 459 . 44 ALA CB C 18.95 0.50 1 460 . 44 ALA N N 118.40 0.25 1 461 . 45 THR H H 7.38 0.03 1 462 . 45 THR HA H 4.46 0.03 1 463 . 45 THR HB H 4.31 0.03 1 464 . 45 THR HG2 H 0.71 0.03 1 465 . 45 THR C C 174.91 0.50 1 466 . 45 THR CA C 60.97 0.50 1 467 . 45 THR CB C 69.60 0.50 1 468 . 45 THR CG2 C 20.67 0.50 1 469 . 45 THR N N 103.52 0.25 1 470 . 46 ALA H H 7.02 0.03 1 471 . 46 ALA HA H 3.96 0.03 1 472 . 46 ALA HB H 1.54 0.03 1 473 . 46 ALA C C 178.11 0.50 1 474 . 46 ALA CA C 54.78 0.50 1 475 . 46 ALA CB C 19.10 0.50 1 476 . 46 ALA N N 124.00 0.25 1 477 . 47 ASN H H 8.52 0.03 1 478 . 47 ASN HA H 4.89 0.03 1 479 . 47 ASN HB2 H 2.94 0.03 1 480 . 47 ASN HB3 H 2.77 0.03 1 481 . 47 ASN HD21 H 7.59 0.03 2 482 . 47 ASN HD22 H 6.91 0.03 2 483 . 47 ASN C C 175.75 0.50 1 484 . 47 ASN CA C 53.07 0.50 1 485 . 47 ASN CB C 38.08 0.50 1 486 . 47 ASN CG C 177.54 0.50 1 487 . 47 ASN N N 112.71 0.25 1 488 . 47 ASN ND2 N 112.68 0.25 1 489 . 48 MET H H 7.71 0.03 1 490 . 48 MET HA H 4.38 0.03 1 491 . 48 MET HB3 H 2.19 0.03 2 492 . 48 MET HB2 H 1.83 0.03 2 493 . 48 MET HE H 2.10 0.03 1 494 . 48 MET C C 175.76 0.50 1 495 . 48 MET CA C 56.22 0.50 1 496 . 48 MET CB C 32.98 0.50 1 497 . 48 MET CE C 17.49 0.50 1 498 . 48 MET N N 116.90 0.25 1 499 . 49 GLY H H 8.10 0.03 1 500 . 49 GLY HA3 H 3.92 0.03 2 501 . 49 GLY HA2 H 3.72 0.03 2 502 . 49 GLY C C 173.70 0.50 1 503 . 49 GLY CA C 46.30 0.50 1 504 . 49 GLY N N 108.32 0.25 1 505 . 50 ASP H H 8.40 0.03 1 506 . 50 ASP HA H 4.88 0.03 1 507 . 50 ASP HB2 H 2.77 0.03 1 508 . 50 ASP HB3 H 2.67 0.03 1 509 . 50 ASP C C 175.46 0.50 1 510 . 50 ASP CA C 53.52 0.50 1 511 . 50 ASP CB C 40.29 0.50 1 512 . 50 ASP CG C 181.09 0.50 1 513 . 50 ASP N N 122.49 0.25 1 514 . 51 ALA H H 7.40 0.03 1 515 . 51 ALA HA H 4.16 0.03 1 516 . 51 ALA HB H 1.19 0.03 1 517 . 51 ALA C C 175.81 0.50 1 518 . 51 ALA CA C 52.31 0.50 1 519 . 51 ALA CB C 20.31 0.50 1 520 . 51 ALA N N 122.80 0.25 1 521 . 52 ILE H H 7.82 0.03 1 522 . 52 ILE HA H 4.33 0.03 1 523 . 52 ILE HB H 1.72 0.03 1 524 . 52 ILE HG13 H 1.44 0.03 2 525 . 52 ILE HG12 H 1.21 0.03 2 526 . 52 ILE HG2 H 0.64 0.03 1 527 . 52 ILE HD1 H 0.74 0.03 1 528 . 52 ILE C C 175.97 0.50 1 529 . 52 ILE CA C 59.84 0.50 1 530 . 52 ILE CB C 36.88 0.50 1 531 . 52 ILE CG1 C 27.06 0.50 1 532 . 52 ILE CG2 C 18.00 0.50 1 533 . 52 ILE CD1 C 10.78 0.50 1 534 . 52 ILE N N 121.04 0.25 1 535 . 53 VAL H H 9.44 0.03 1 536 . 53 VAL HA H 4.64 0.03 1 537 . 53 VAL HB H 2.47 0.03 1 538 . 53 VAL HG1 H 1.08 0.03 1 539 . 53 VAL HG2 H 1.08 0.03 1 540 . 53 VAL C C 173.60 0.50 1 541 . 53 VAL CA C 59.18 0.50 1 542 . 53 VAL CB C 34.74 0.50 1 543 . 53 VAL CG1 C 21.61 0.50 2 544 . 53 VAL CG2 C 20.85 0.50 2 545 . 53 VAL N N 127.86 0.25 1 546 . 54 PRO HA H 5.04 0.03 1 547 . 54 PRO HB3 H 2.42 0.03 2 548 . 54 PRO HB2 H 1.96 0.03 2 549 . 54 PRO HG3 H 2.14 0.03 2 550 . 54 PRO HG2 H 1.94 0.03 2 551 . 54 PRO HD3 H 4.04 0.03 2 552 . 54 PRO HD2 H 3.79 0.03 2 553 . 54 PRO C C 176.11 0.50 1 554 . 54 PRO CA C 61.91 0.50 1 555 . 54 PRO CB C 31.75 0.50 1 556 . 54 PRO CG C 27.90 0.50 1 557 . 54 PRO CD C 51.38 0.50 1 558 . 55 VAL H H 9.24 0.03 1 559 . 55 VAL HA H 5.32 0.03 1 560 . 55 VAL HB H 2.08 0.03 1 561 . 55 VAL HG1 H 1.14 0.03 2 562 . 55 VAL HG2 H 0.93 0.03 2 563 . 55 VAL C C 173.22 0.50 1 564 . 55 VAL CA C 59.00 0.50 1 565 . 55 VAL CB C 35.71 0.50 1 566 . 55 VAL CG1 C 22.98 0.50 2 567 . 55 VAL CG2 C 20.36 0.50 2 568 . 55 VAL N N 121.95 0.25 1 569 . 56 GLU H H 8.67 0.03 1 570 . 56 GLU HA H 5.17 0.03 1 571 . 56 GLU HB3 H 1.95 0.03 2 572 . 56 GLU HB2 H 1.83 0.03 2 573 . 56 GLU HG3 H 2.08 0.03 2 574 . 56 GLU HG2 H 1.93 0.03 2 575 . 56 GLU C C 176.50 0.50 1 576 . 56 GLU CA C 54.72 0.50 1 577 . 56 GLU CB C 31.84 0.50 1 578 . 56 GLU CG C 36.70 0.50 1 579 . 56 GLU CD C 182.41 0.50 1 580 . 56 GLU N N 125.81 0.25 1 581 . 57 ILE H H 10.02 0.03 1 582 . 57 ILE HA H 4.81 0.03 1 583 . 57 ILE HB H 1.60 0.03 1 584 . 57 ILE HG13 H 1.33 0.03 2 585 . 57 ILE HG12 H 0.45 0.03 2 586 . 57 ILE HG2 H 0.60 0.03 1 587 . 57 ILE HD1 H 0.04 0.03 1 588 . 57 ILE C C 174.66 0.50 1 589 . 57 ILE CA C 60.99 0.50 1 590 . 57 ILE CB C 40.53 0.50 1 591 . 57 ILE CG1 C 28.69 0.50 1 592 . 57 ILE CG2 C 18.65 0.50 1 593 . 57 ILE CD1 C 15.94 0.50 1 594 . 57 ILE N N 131.00 0.25 1 595 . 58 THR H H 9.45 0.03 1 596 . 58 THR HA H 4.57 0.03 1 597 . 58 THR HB H 3.92 0.03 1 598 . 58 THR HG2 H 0.64 0.03 1 599 . 58 THR C C 172.28 0.50 1 600 . 58 THR CA C 63.26 0.50 1 601 . 58 THR CB C 69.49 0.50 1 602 . 58 THR CG2 C 22.25 0.50 1 603 . 58 THR N N 126.00 0.25 1 604 . 59 ILE H H 8.77 0.03 1 605 . 59 ILE HA H 4.70 0.03 1 606 . 59 ILE HB H 1.40 0.03 1 607 . 59 ILE HG13 H 1.42 0.03 2 608 . 59 ILE HG12 H 0.83 0.03 2 609 . 59 ILE HG2 H 1.01 0.03 1 610 . 59 ILE HD1 H 0.69 0.03 1 611 . 59 ILE C C 175.46 0.50 1 612 . 59 ILE CA C 59.94 0.50 1 613 . 59 ILE CB C 39.50 0.50 1 614 . 59 ILE CG1 C 28.43 0.50 1 615 . 59 ILE CG2 C 17.62 0.50 1 616 . 59 ILE CD1 C 14.68 0.50 1 617 . 59 ILE N N 125.00 0.25 1 618 . 60 TYR H H 8.70 0.03 1 619 . 60 TYR HA H 5.37 0.03 1 620 . 60 TYR HB2 H 3.00 0.03 1 621 . 60 TYR HB3 H 3.18 0.03 1 622 . 60 TYR HD1 H 6.98 0.03 3 623 . 60 TYR HE1 H 6.77 0.03 3 624 . 60 TYR C C 178.54 0.50 1 625 . 60 TYR CA C 57.62 0.50 1 626 . 60 TYR CB C 40.43 0.50 1 627 . 60 TYR CD1 C 133.76 0.50 3 628 . 60 TYR CE1 C 118.06 0.50 3 629 . 60 TYR N N 125.87 0.25 1 630 . 61 ALA H H 8.89 0.03 1 631 . 61 ALA HA H 4.12 0.03 1 632 . 61 ALA HB H 1.53 0.03 1 633 . 61 ALA C C 177.28 0.50 1 634 . 61 ALA CA C 54.89 0.50 1 635 . 61 ALA CB C 18.76 0.50 1 636 . 61 ALA N N 122.41 0.25 1 637 . 62 ASP H H 7.79 0.03 1 638 . 62 ASP HA H 4.63 0.03 1 639 . 62 ASP HB3 H 3.16 0.03 2 640 . 62 ASP HB2 H 2.65 0.03 2 641 . 62 ASP C C 176.51 0.50 1 642 . 62 ASP CA C 53.36 0.50 1 643 . 62 ASP CB C 39.45 0.50 1 644 . 62 ASP N N 115.41 0.25 1 645 . 63 ARG H H 8.49 0.03 1 646 . 63 ARG HA H 3.83 0.03 1 647 . 63 ARG HB2 H 2.41 0.03 1 648 . 63 ARG HB3 H 2.18 0.03 1 649 . 63 ARG HG3 H 1.80 0.03 2 650 . 63 ARG HG2 H 1.72 0.03 2 651 . 63 ARG HD3 H 3.36 0.03 2 652 . 63 ARG HE H 7.16 0.03 1 653 . 63 ARG C C 175.07 0.50 1 654 . 63 ARG CA C 59.13 0.50 1 655 . 63 ARG CB C 26.88 0.50 1 656 . 63 ARG CG C 28.04 0.50 1 657 . 63 ARG CD C 43.65 0.50 1 658 . 63 ARG N N 112.37 0.25 1 659 . 63 ARG NE N 85.35 0.25 1 660 . 64 SER H H 8.07 0.03 1 661 . 64 SER HA H 4.47 0.03 1 662 . 64 SER HB2 H 3.89 0.03 1 663 . 64 SER HB3 H 4.07 0.03 1 664 . 64 SER C C 172.08 0.50 1 665 . 64 SER CA C 59.03 0.50 1 666 . 64 SER CB C 64.97 0.50 1 667 . 64 SER N N 114.37 0.25 1 668 . 65 PHE H H 7.93 0.03 1 669 . 65 PHE HA H 6.41 0.03 1 670 . 65 PHE HB2 H 3.19 0.03 1 671 . 65 PHE HB3 H 2.84 0.03 1 672 . 65 PHE HD1 H 7.23 0.03 3 673 . 65 PHE C C 175.43 0.50 1 674 . 65 PHE CA C 56.28 0.50 1 675 . 65 PHE CB C 43.45 0.50 1 676 . 65 PHE CD1 C 132.23 0.50 3 677 . 65 PHE N N 111.33 0.25 1 678 . 66 THR H H 9.36 0.03 1 679 . 66 THR HA H 4.84 0.03 1 680 . 66 THR HB H 4.49 0.03 1 681 . 66 THR HG2 H 1.37 0.03 1 682 . 66 THR C C 173.18 0.50 1 683 . 66 THR CA C 60.57 0.50 1 684 . 66 THR CB C 72.70 0.50 1 685 . 66 THR CG2 C 22.22 0.50 1 686 . 66 THR N N 111.99 0.25 1 687 . 67 PHE H H 8.98 0.03 1 688 . 67 PHE HA H 6.06 0.03 1 689 . 67 PHE HB3 H 3.23 0.03 2 690 . 67 PHE HB2 H 3.12 0.03 2 691 . 67 PHE HD1 H 7.65 0.03 3 692 . 67 PHE HZ H 7.23 0.03 1 693 . 67 PHE C C 172.87 0.50 1 694 . 67 PHE CA C 56.36 0.50 1 695 . 67 PHE CB C 43.53 0.50 1 696 . 67 PHE CD1 C 131.28 0.50 3 697 . 67 PHE CZ C 129.42 0.50 1 698 . 67 PHE N N 116.29 0.25 1 699 . 68 VAL H H 8.58 0.03 1 700 . 68 VAL HA H 4.67 0.03 1 701 . 68 VAL HB H 2.14 0.03 1 702 . 68 VAL HG1 H 1.02 0.03 2 703 . 68 VAL HG2 H 1.00 0.03 2 704 . 68 VAL C C 175.57 0.50 1 705 . 68 VAL CA C 60.15 0.50 1 706 . 68 VAL CB C 35.83 0.50 1 707 . 68 VAL CG1 C 21.20 0.50 2 708 . 68 VAL CG2 C 20.16 0.50 2 709 . 68 VAL N N 116.63 0.25 1 710 . 69 THR H H 8.72 0.03 1 711 . 69 THR HA H 5.20 0.03 1 712 . 69 THR HB H 4.25 0.03 1 713 . 69 THR HG2 H 1.32 0.03 1 714 . 69 THR C C 174.27 0.50 1 715 . 69 THR CA C 60.01 0.50 1 716 . 69 THR CB C 69.99 0.50 1 717 . 69 THR CG2 C 21.73 0.50 1 718 . 69 THR N N 116.09 0.25 1 719 . 70 LYS H H 8.19 0.03 1 720 . 70 LYS HA H 4.79 0.03 1 721 . 70 LYS HB2 H 1.64 0.03 1 722 . 70 LYS HB3 H 2.04 0.03 1 723 . 70 LYS HG3 H 1.47 0.03 2 724 . 70 LYS HG2 H 1.38 0.03 2 725 . 70 LYS HD3 H 1.66 0.03 2 726 . 70 LYS HE3 H 2.92 0.03 2 727 . 70 LYS C C 175.88 0.50 1 728 . 70 LYS CA C 54.30 0.50 1 729 . 70 LYS CB C 33.36 0.50 1 730 . 70 LYS CG C 24.51 0.50 1 731 . 70 LYS CD C 28.50 0.50 1 732 . 70 LYS CE C 42.40 0.50 1 733 . 70 LYS N N 121.92 0.25 1 734 . 71 THR H H 8.23 0.03 1 735 . 71 THR HA H 4.61 0.03 1 736 . 71 THR HB H 4.28 0.03 1 737 . 71 THR HG2 H 1.45 0.03 1 738 . 71 THR C C 172.75 0.50 1 739 . 71 THR CA C 60.26 0.50 1 740 . 71 THR CB C 69.36 0.50 1 741 . 71 THR CG2 C 22.67 0.50 1 742 . 71 THR N N 114.05 0.25 1 743 . 73 PRO HA H 4.47 0.03 1 744 . 73 PRO HB3 H 2.53 0.03 2 745 . 73 PRO HB2 H 2.02 0.03 2 746 . 73 PRO HG3 H 2.10 0.03 2 747 . 73 PRO HD3 H 3.85 0.03 2 748 . 73 PRO HD2 H 3.57 0.03 2 749 . 73 PRO C C 177.21 0.50 1 750 . 73 PRO CA C 62.83 0.50 1 751 . 73 PRO CB C 32.39 0.50 1 752 . 73 PRO CG C 27.88 0.50 1 753 . 73 PRO CD C 50.50 0.50 1 754 . 74 ALA H H 9.36 0.03 1 755 . 74 ALA HA H 3.86 0.03 1 756 . 74 ALA HB H 1.39 0.03 1 757 . 74 ALA C C 178.73 0.50 1 758 . 74 ALA CA C 55.58 0.50 1 759 . 74 ALA CB C 17.73 0.50 1 760 . 74 ALA N N 124.09 0.25 1 761 . 75 SER H H 8.67 0.03 1 762 . 75 SER HA H 3.95 0.03 1 763 . 75 SER HB3 H 3.98 0.03 2 764 . 75 SER HB2 H 3.87 0.03 2 765 . 75 SER C C 175.82 0.50 1 766 . 75 SER CA C 61.71 0.50 1 767 . 75 SER CB C 61.57 0.50 1 768 . 75 SER N N 110.27 0.25 1 769 . 76 TYR H H 7.03 0.03 1 770 . 76 TYR HA H 4.17 0.03 1 771 . 76 TYR HB2 H 3.28 0.03 1 772 . 76 TYR HB3 H 3.09 0.03 1 773 . 76 TYR HD1 H 7.06 0.03 3 774 . 76 TYR HE1 H 6.88 0.03 3 775 . 76 TYR C C 176.83 0.50 1 776 . 76 TYR CA C 61.03 0.50 1 777 . 76 TYR CB C 38.32 0.50 1 778 . 76 TYR CD1 C 133.30 0.50 3 779 . 76 TYR CE1 C 118.12 0.50 3 780 . 76 TYR N N 121.74 0.25 1 781 . 77 LEU H H 7.55 0.03 1 782 . 77 LEU HA H 3.83 0.03 1 783 . 77 LEU HB2 H 1.94 0.03 1 784 . 77 LEU HB3 H 1.43 0.03 1 785 . 77 LEU HG H 1.88 0.03 2 786 . 77 LEU HD1 H 1.01 0.03 2 787 . 77 LEU HD2 H 0.93 0.03 2 788 . 77 LEU C C 180.40 0.50 1 789 . 77 LEU CA C 57.73 0.50 1 790 . 77 LEU CB C 42.27 0.50 1 791 . 77 LEU CG C 27.42 0.50 1 792 . 77 LEU CD1 C 22.32 0.50 2 793 . 77 LEU CD2 C 26.45 0.50 2 794 . 77 LEU N N 118.02 0.25 1 795 . 78 ILE H H 8.75 0.03 1 796 . 78 ILE HA H 3.37 0.03 1 797 . 78 ILE HB H 1.74 0.03 1 798 . 78 ILE HG13 H 1.87 0.03 2 799 . 78 ILE HG12 H 0.58 0.03 2 800 . 78 ILE HG2 H 0.77 0.03 1 801 . 78 ILE HD1 H 0.76 0.03 1 802 . 78 ILE C C 176.68 0.50 1 803 . 78 ILE CA C 65.66 0.50 1 804 . 78 ILE CB C 38.43 0.50 1 805 . 78 ILE CG1 C 30.05 0.50 1 806 . 78 ILE CG2 C 17.55 0.50 1 807 . 78 ILE CD1 C 14.25 0.50 1 808 . 78 ILE N N 120.12 0.25 1 809 . 79 ARG H H 7.85 0.03 1 810 . 79 ARG HA H 3.62 0.03 1 811 . 79 ARG HB2 H 1.69 0.03 1 812 . 79 ARG HB3 H 1.87 0.03 1 813 . 79 ARG HG3 H 1.35 0.03 2 814 . 79 ARG HD3 H 3.25 0.03 2 815 . 79 ARG HD2 H 3.13 0.03 2 816 . 79 ARG C C 178.55 0.50 1 817 . 79 ARG CA C 60.93 0.50 1 818 . 79 ARG CB C 30.32 0.50 1 819 . 79 ARG CG C 29.09 0.50 1 820 . 79 ARG CD C 43.27 0.50 1 821 . 79 ARG N N 117.81 0.25 1 822 . 80 LYS H H 8.23 0.03 1 823 . 80 LYS HA H 3.93 0.03 1 824 . 80 LYS HB3 H 1.67 0.03 2 825 . 80 LYS HB2 H 1.38 0.03 2 826 . 80 LYS HG3 H 1.25 0.03 2 827 . 80 LYS HD3 H 1.62 0.03 2 828 . 80 LYS HE3 H 2.97 0.03 2 829 . 80 LYS C C 180.00 0.50 1 830 . 80 LYS CA C 58.82 0.50 1 831 . 80 LYS CB C 32.19 0.50 1 832 . 80 LYS CG C 24.12 0.50 1 833 . 80 LYS CD C 29.07 0.50 1 834 . 80 LYS CE C 41.64 0.50 1 835 . 80 LYS N N 118.61 0.25 1 836 . 81 ALA H H 7.88 0.03 1 837 . 81 ALA HA H 4.10 0.03 1 838 . 81 ALA HB H 1.46 0.03 1 839 . 81 ALA C C 178.29 0.50 1 840 . 81 ALA CA C 55.00 0.50 1 841 . 81 ALA CB C 18.20 0.50 1 842 . 81 ALA N N 123.03 0.25 1 843 . 82 ALA H H 7.97 0.03 1 844 . 82 ALA HA H 4.52 0.03 1 845 . 82 ALA HB H 1.27 0.03 1 846 . 82 ALA C C 177.32 0.50 1 847 . 82 ALA CA C 51.75 0.50 1 848 . 82 ALA CB C 20.13 0.50 1 849 . 82 ALA N N 116.26 0.25 1 850 . 83 GLY H H 7.72 0.03 1 851 . 83 GLY HA3 H 4.03 0.03 2 852 . 83 GLY C C 175.05 0.50 1 853 . 83 GLY CA C 46.50 0.50 1 854 . 83 GLY N N 106.29 0.25 1 855 . 84 LEU H H 8.06 0.03 1 856 . 84 LEU HA H 4.35 0.03 1 857 . 84 LEU HB2 H 1.50 0.03 1 858 . 84 LEU HB3 H 1.64 0.03 1 859 . 84 LEU HG H 1.51 0.03 2 860 . 84 LEU HD1 H 0.83 0.03 2 861 . 84 LEU HD2 H 0.80 0.03 2 862 . 84 LEU C C 177.17 0.50 1 863 . 84 LEU CA C 54.74 0.50 1 864 . 84 LEU CB C 42.70 0.50 1 865 . 84 LEU CG C 26.80 0.50 1 866 . 84 LEU CD1 C 25.53 0.50 2 867 . 84 LEU CD2 C 22.34 0.50 2 868 . 84 LEU N N 117.58 0.25 1 869 . 85 GLU H H 8.09 0.03 1 870 . 85 GLU HA H 4.34 0.03 1 871 . 85 GLU HB3 H 2.06 0.03 2 872 . 85 GLU HB2 H 1.75 0.03 2 873 . 85 GLU HG3 H 2.13 0.03 2 874 . 85 GLU HG2 H 2.07 0.03 2 875 . 85 GLU C C 176.27 0.50 1 876 . 85 GLU CA C 55.88 0.50 1 877 . 85 GLU CB C 30.47 0.50 1 878 . 85 GLU CG C 36.08 0.50 1 879 . 85 GLU CD C 183.01 0.50 1 880 . 85 GLU N N 119.83 0.25 1 881 . 86 LYS H H 8.42 0.03 1 882 . 86 LYS HA H 4.24 0.03 1 883 . 86 LYS HB3 H 1.83 0.03 2 884 . 86 LYS HG3 H 1.45 0.03 2 885 . 86 LYS HD3 H 1.70 0.03 2 886 . 86 LYS HE3 H 3.02 0.03 2 887 . 86 LYS C C 177.13 0.50 1 888 . 86 LYS CA C 57.16 0.50 1 889 . 86 LYS CB C 32.75 0.50 1 890 . 86 LYS CG C 24.65 0.50 1 891 . 86 LYS CD C 29.16 0.50 1 892 . 86 LYS CE C 42.36 0.50 1 893 . 86 LYS N N 122.07 0.25 1 894 . 87 GLY H H 8.42 0.03 1 895 . 87 GLY HA3 H 4.01 0.03 2 896 . 87 GLY HA2 H 3.92 0.03 2 897 . 87 GLY C C 173.67 0.50 1 898 . 87 GLY CA C 45.26 0.50 1 899 . 87 GLY N N 109.98 0.25 1 900 . 88 ALA H H 8.10 0.03 1 901 . 88 ALA HA H 4.31 0.03 1 902 . 88 ALA HB H 1.34 0.03 1 903 . 88 ALA C C 177.38 0.50 1 904 . 88 ALA CA C 52.32 0.50 1 905 . 88 ALA CB C 19.43 0.50 1 906 . 88 ALA N N 123.06 0.25 1 907 . 89 HIS H H 8.35 0.03 1 908 . 89 HIS HA H 4.65 0.03 1 909 . 89 HIS HB3 H 3.16 0.03 2 910 . 89 HIS HB2 H 3.12 0.03 2 911 . 89 HIS HD2 H 7.13 0.03 1 912 . 89 HIS HE1 H 8.14 0.03 1 913 . 89 HIS C C 174.76 0.50 1 914 . 89 HIS CA C 55.92 0.50 1 915 . 89 HIS CB C 30.49 0.50 1 916 . 89 HIS CD2 C 119.97 0.50 1 917 . 89 HIS CE1 C 137.70 0.50 1 918 . 89 HIS N N 118.35 0.25 1 919 . 90 LYS H H 8.30 0.03 1 920 . 90 LYS HA H 4.61 0.03 1 921 . 90 LYS HB3 H 1.82 0.03 2 922 . 90 LYS HB2 H 1.74 0.03 2 923 . 90 LYS HG3 H 1.45 0.03 2 924 . 90 LYS C C 174.14 0.50 1 925 . 90 LYS CA C 54.03 0.50 1 926 . 90 LYS CB C 32.76 0.50 1 927 . 90 LYS CG C 24.84 0.50 1 928 . 90 LYS N N 124.18 0.25 1 929 . 91 PRO HA H 4.43 0.03 1 930 . 91 PRO HB3 H 2.32 0.03 2 931 . 91 PRO HB2 H 1.96 0.03 2 932 . 91 PRO HG3 H 2.02 0.03 2 933 . 91 PRO HD3 H 3.78 0.03 2 934 . 91 PRO HD2 H 3.64 0.03 2 935 . 91 PRO C C 177.43 0.50 1 936 . 91 PRO CA C 63.49 0.50 1 937 . 91 PRO CB C 32.18 0.50 1 938 . 91 PRO CG C 27.40 0.50 1 939 . 91 PRO CD C 50.64 0.50 1 940 . 92 GLY H H 8.57 0.03 1 941 . 92 GLY HA3 H 4.08 0.03 2 942 . 92 GLY HA2 H 3.98 0.03 2 943 . 92 GLY C C 174.42 0.50 1 944 . 92 GLY CA C 45.45 0.50 1 945 . 92 GLY N N 109.56 0.25 1 946 . 93 ARG H H 8.23 0.03 1 947 . 93 ARG HA H 4.36 0.03 1 948 . 93 ARG HB3 H 1.93 0.03 2 949 . 93 ARG HB2 H 1.80 0.03 2 950 . 93 ARG HG3 H 1.64 0.03 2 951 . 93 ARG HD3 H 3.22 0.03 2 952 . 93 ARG C C 176.52 0.50 1 953 . 93 ARG CA C 56.29 0.50 1 954 . 93 ARG CB C 30.61 0.50 1 955 . 93 ARG CG C 26.96 0.50 1 956 . 93 ARG CD C 43.10 0.50 1 957 . 93 ARG N N 120.00 0.25 1 958 . 94 GLU H H 8.53 0.03 1 959 . 94 GLU HA H 4.27 0.03 1 960 . 94 GLU HB3 H 2.07 0.03 2 961 . 94 GLU HB2 H 1.96 0.03 2 962 . 94 GLU HG3 H 2.29 0.03 2 963 . 94 GLU C C 176.33 0.50 1 964 . 94 GLU CA C 56.95 0.50 1 965 . 94 GLU CB C 30.27 0.50 1 966 . 94 GLU CG C 36.36 0.50 1 967 . 94 GLU CD C 183.81 0.50 1 968 . 94 GLU N N 120.59 0.25 1 969 . 95 LYS H H 8.33 0.03 1 970 . 95 LYS HA H 4.37 0.03 1 971 . 95 LYS HB3 H 1.81 0.03 2 972 . 95 LYS HG3 H 1.43 0.03 2 973 . 95 LYS HD3 H 1.68 0.03 2 974 . 95 LYS HE3 H 3.00 0.03 2 975 . 95 LYS C C 176.21 0.50 1 976 . 95 LYS CA C 56.16 0.50 1 977 . 95 LYS CB C 33.13 0.50 1 978 . 95 LYS CG C 24.75 0.50 1 979 . 95 LYS CD C 29.13 0.50 1 980 . 95 LYS CE C 42.52 0.50 1 981 . 95 LYS N N 120.87 0.25 1 982 . 96 VAL H H 8.13 0.03 1 983 . 96 VAL HA H 4.22 0.03 1 984 . 96 VAL HB H 2.09 0.03 1 985 . 96 VAL HG1 H 0.97 0.03 2 986 . 96 VAL C C 176.75 0.50 1 987 . 96 VAL CA C 62.52 0.50 1 988 . 96 VAL CB C 32.84 0.50 1 989 . 96 VAL CG1 C 20.99 0.50 2 990 . 96 VAL N N 120.33 0.25 1 991 . 97 GLY H H 8.90 0.03 1 992 . 97 GLY HA3 H 4.08 0.03 2 993 . 97 GLY HA2 H 3.90 0.03 2 994 . 97 GLY C C 172.20 0.50 1 995 . 97 GLY CA C 45.54 0.50 1 996 . 97 GLY N N 110.38 0.25 1 997 . 98 ARG H H 8.22 0.03 1 998 . 98 ARG HA H 5.49 0.03 1 999 . 98 ARG HB3 H 1.73 0.03 2 1000 . 98 ARG HG3 H 1.52 0.03 2 1001 . 98 ARG HD3 H 3.12 0.03 2 1002 . 98 ARG HD2 H 3.08 0.03 2 1003 . 98 ARG HE H 7.23 0.03 1 1004 . 98 ARG C C 174.28 0.50 1 1005 . 98 ARG CA C 54.68 0.50 1 1006 . 98 ARG CB C 34.11 0.50 1 1007 . 98 ARG CG C 26.99 0.50 1 1008 . 98 ARG CD C 43.87 0.50 1 1009 . 98 ARG N N 121.16 0.25 1 1010 . 98 ARG NE N 84.22 0.25 1 1011 . 99 ILE H H 8.97 0.03 1 1012 . 99 ILE HA H 4.97 0.03 1 1013 . 99 ILE HB H 1.70 0.03 1 1014 . 99 ILE HG13 H 1.40 0.03 2 1015 . 99 ILE HG12 H 1.11 0.03 2 1016 . 99 ILE HG2 H 0.71 0.03 1 1017 . 99 ILE HD1 H 0.56 0.03 1 1018 . 99 ILE C C 173.97 0.50 1 1019 . 99 ILE CA C 58.99 0.50 1 1020 . 99 ILE CB C 42.41 0.50 1 1021 . 99 ILE CG1 C 25.85 0.50 1 1022 . 99 ILE CG2 C 17.71 0.50 1 1023 . 99 ILE CD1 C 14.53 0.50 1 1024 . 99 ILE N N 117.20 0.25 1 1025 . 100 THR H H 9.03 0.03 1 1026 . 100 THR HA H 5.15 0.03 1 1027 . 100 THR HB H 4.90 0.03 1 1028 . 100 THR HG2 H 1.26 0.03 1 1029 . 100 THR C C 176.96 0.50 1 1030 . 100 THR CA C 60.23 0.50 1 1031 . 100 THR CB C 71.54 0.50 1 1032 . 100 THR CG2 C 21.75 0.50 1 1033 . 100 THR N N 113.30 0.25 1 1034 . 101 TRP H H 8.58 0.03 1 1035 . 101 TRP HA H 4.34 0.03 1 1036 . 101 TRP HB3 H 3.17 0.03 2 1037 . 101 TRP HB2 H 3.03 0.03 2 1038 . 101 TRP HD1 H 7.21 0.03 1 1039 . 101 TRP HE1 H 10.45 0.03 1 1040 . 101 TRP HE3 H 7.18 0.03 1 1041 . 101 TRP HZ2 H 7.50 0.03 1 1042 . 101 TRP HZ3 H 6.90 0.03 1 1043 . 101 TRP HH2 H 6.92 0.03 1 1044 . 101 TRP C C 176.70 0.50 1 1045 . 101 TRP CA C 59.70 0.50 1 1046 . 101 TRP CB C 29.85 0.50 1 1047 . 101 TRP CD1 C 127.25 0.50 1 1048 . 101 TRP CE3 C 119.21 0.50 1 1049 . 101 TRP CZ2 C 115.05 0.50 1 1050 . 101 TRP CZ3 C 121.10 0.50 1 1051 . 101 TRP CH2 C 123.99 0.50 1 1052 . 101 TRP N N 121.92 0.25 1 1053 . 101 TRP NE1 N 129.16 0.25 1 1054 . 102 GLU H H 8.56 0.03 1 1055 . 102 GLU HA H 3.85 0.03 1 1056 . 102 GLU HB2 H 2.08 0.03 1 1057 . 102 GLU HB3 H 2.00 0.03 1 1058 . 102 GLU HG3 H 2.41 0.03 2 1059 . 102 GLU HG2 H 2.39 0.03 2 1060 . 102 GLU C C 179.83 0.50 1 1061 . 102 GLU CA C 60.89 0.50 1 1062 . 102 GLU CB C 29.05 0.50 1 1063 . 102 GLU CG C 37.24 0.50 1 1064 . 102 GLU CD C 183.99 0.50 1 1065 . 102 GLU N N 115.93 0.25 1 1066 . 103 GLN H H 7.74 0.03 1 1067 . 103 GLN HA H 4.05 0.03 1 1068 . 103 GLN HB2 H 2.65 0.03 1 1069 . 103 GLN HB3 H 1.73 0.03 1 1070 . 103 GLN HG3 H 2.50 0.03 2 1071 . 103 GLN HG2 H 2.36 0.03 2 1072 . 103 GLN HE21 H 7.96 0.03 2 1073 . 103 GLN HE22 H 6.70 0.03 2 1074 . 103 GLN C C 179.06 0.50 1 1075 . 103 GLN CA C 59.25 0.50 1 1076 . 103 GLN CB C 29.59 0.50 1 1077 . 103 GLN CG C 35.50 0.50 1 1078 . 103 GLN CD C 180.19 0.50 1 1079 . 103 GLN N N 118.73 0.25 1 1080 . 103 GLN NE2 N 112.86 0.25 1 1081 . 104 VAL H H 8.13 0.03 1 1082 . 104 VAL HA H 3.13 0.03 1 1083 . 104 VAL HB H 2.00 0.03 1 1084 . 104 VAL HG1 H 0.86 0.03 2 1085 . 104 VAL HG2 H 0.36 0.03 2 1086 . 104 VAL C C 177.59 0.50 1 1087 . 104 VAL CA C 67.34 0.50 1 1088 . 104 VAL CB C 30.11 0.50 1 1089 . 104 VAL CG1 C 23.66 0.50 2 1090 . 104 VAL CG2 C 22.31 0.50 2 1091 . 104 VAL N N 121.20 0.25 1 1092 . 105 LEU H H 8.17 0.03 1 1093 . 105 LEU HA H 3.54 0.03 1 1094 . 105 LEU HB2 H 1.77 0.03 1 1095 . 105 LEU HB3 H 1.17 0.03 1 1096 . 105 LEU HG H 0.93 0.03 2 1097 . 105 LEU HD1 H 0.79 0.03 2 1098 . 105 LEU HD2 H 0.56 0.03 2 1099 . 105 LEU C C 179.00 0.50 1 1100 . 105 LEU CA C 58.01 0.50 1 1101 . 105 LEU CB C 42.03 0.50 1 1102 . 105 LEU CG C 26.43 0.50 1 1103 . 105 LEU CD1 C 25.67 0.50 2 1104 . 105 LEU CD2 C 22.39 0.50 2 1105 . 105 LEU N N 118.90 0.25 1 1106 . 106 GLU H H 7.49 0.03 1 1107 . 106 GLU HA H 3.95 0.03 1 1108 . 106 GLU HB3 H 2.13 0.03 2 1109 . 106 GLU HG3 H 2.38 0.03 2 1110 . 106 GLU HG2 H 2.24 0.03 2 1111 . 106 GLU C C 179.70 0.50 1 1112 . 106 GLU CA C 59.43 0.50 1 1113 . 106 GLU CB C 29.70 0.50 1 1114 . 106 GLU CG C 36.02 0.50 1 1115 . 106 GLU CD C 183.41 0.50 1 1116 . 106 GLU N N 118.23 0.25 1 1117 . 107 ILE H H 7.91 0.03 1 1118 . 107 ILE HA H 3.66 0.03 1 1119 . 107 ILE HB H 1.77 0.03 1 1120 . 107 ILE HG13 H 1.97 0.03 2 1121 . 107 ILE HG12 H 0.82 0.03 2 1122 . 107 ILE HG2 H 0.79 0.03 1 1123 . 107 ILE HD1 H 0.55 0.03 1 1124 . 107 ILE C C 177.60 0.50 1 1125 . 107 ILE CA C 65.48 0.50 1 1126 . 107 ILE CB C 38.33 0.50 1 1127 . 107 ILE CG1 C 29.17 0.50 1 1128 . 107 ILE CG2 C 17.74 0.50 1 1129 . 107 ILE CD1 C 13.50 0.50 1 1130 . 107 ILE N N 120.66 0.25 1 1131 . 108 ALA H H 8.93 0.03 1 1132 . 108 ALA HA H 3.54 0.03 1 1133 . 108 ALA HB H 1.21 0.03 1 1134 . 108 ALA C C 178.49 0.50 1 1135 . 108 ALA CA C 55.71 0.50 1 1136 . 108 ALA CB C 17.40 0.50 1 1137 . 108 ALA N N 121.81 0.25 1 1138 . 109 LYS H H 8.05 0.03 1 1139 . 109 LYS HA H 3.87 0.03 1 1140 . 109 LYS HB3 H 1.89 0.03 2 1141 . 109 LYS HG3 H 1.67 0.03 2 1142 . 109 LYS HG2 H 1.44 0.03 2 1143 . 109 LYS HD3 H 1.71 0.03 2 1144 . 109 LYS HE3 H 2.94 0.03 2 1145 . 109 LYS HE2 H 2.86 0.03 2 1146 . 109 LYS C C 179.20 0.50 1 1147 . 109 LYS CA C 59.96 0.50 1 1148 . 109 LYS CB C 32.81 0.50 1 1149 . 109 LYS CG C 25.91 0.50 1 1150 . 109 LYS CD C 29.76 0.50 1 1151 . 109 LYS CE C 42.25 0.50 1 1152 . 109 LYS N N 115.14 0.25 1 1153 . 110 GLN H H 7.44 0.03 1 1154 . 110 GLN HA H 4.13 0.03 1 1155 . 110 GLN HB2 H 2.27 0.03 1 1156 . 110 GLN HB3 H 2.10 0.03 1 1157 . 110 GLN HG3 H 2.58 0.03 2 1158 . 110 GLN HG2 H 2.38 0.03 2 1159 . 110 GLN HE21 H 7.23 0.03 2 1160 . 110 GLN HE22 H 6.71 0.03 2 1161 . 110 GLN C C 177.98 0.50 1 1162 . 110 GLN CA C 58.27 0.50 1 1163 . 110 GLN CB C 29.61 0.50 1 1164 . 110 GLN CG C 34.50 0.50 1 1165 . 110 GLN CD C 179.11 0.50 1 1166 . 110 GLN N N 115.53 0.25 1 1167 . 110 GLN NE2 N 109.39 0.25 1 1168 . 111 LYS H H 8.04 0.03 1 1169 . 111 LYS HA H 4.55 0.03 1 1170 . 111 LYS HB2 H 1.74 0.03 1 1171 . 111 LYS HB3 H 2.02 0.03 1 1172 . 111 LYS C C 176.63 0.50 1 1173 . 111 LYS CA C 53.29 0.50 1 1174 . 111 LYS CB C 30.70 0.50 1 1175 . 111 LYS CG C 23.45 0.50 1 1176 . 111 LYS CD C 26.09 0.50 1 1177 . 111 LYS N N 113.39 0.25 1 1178 . 112 MET H H 7.75 0.03 1 1179 . 112 MET HA H 4.02 0.03 1 1180 . 112 MET HB3 H 2.28 0.03 2 1181 . 112 MET HG3 H 2.69 0.03 2 1182 . 112 MET HG2 H 2.51 0.03 2 1183 . 112 MET HE H 1.96 0.03 1 1184 . 112 MET C C 174.48 0.50 1 1185 . 112 MET CA C 61.83 0.50 1 1186 . 112 MET CB C 31.06 0.50 1 1187 . 112 MET CG C 32.95 0.50 1 1188 . 112 MET CE C 16.73 0.50 1 1189 . 112 MET N N 120.98 0.25 1 1190 . 113 PRO HA H 4.45 0.03 1 1191 . 113 PRO HB3 H 2.39 0.03 2 1192 . 113 PRO HB2 H 1.82 0.03 2 1193 . 113 PRO HG3 H 2.10 0.03 2 1194 . 113 PRO HG2 H 2.02 0.03 2 1195 . 113 PRO HD3 H 3.68 0.03 2 1196 . 113 PRO HD2 H 3.53 0.03 2 1197 . 113 PRO C C 178.76 0.50 1 1198 . 113 PRO CA C 66.05 0.50 1 1199 . 113 PRO CB C 31.23 0.50 1 1200 . 113 PRO CG C 28.29 0.50 1 1201 . 113 PRO CD C 50.25 0.50 1 1202 . 114 ASP H H 7.87 0.03 1 1203 . 114 ASP HA H 4.67 0.03 1 1204 . 114 ASP HB2 H 2.88 0.03 1 1205 . 114 ASP HB3 H 2.65 0.03 1 1206 . 114 ASP C C 177.14 0.50 1 1207 . 114 ASP CA C 55.41 0.50 1 1208 . 114 ASP CB C 41.62 0.50 1 1209 . 114 ASP CG C 179.66 0.50 1 1210 . 114 ASP N N 115.62 0.25 1 1211 . 115 LEU H H 7.93 0.03 1 1212 . 115 LEU HA H 4.39 0.03 1 1213 . 115 LEU HB3 H 1.76 0.03 2 1214 . 115 LEU HB2 H 1.51 0.03 2 1215 . 115 LEU HG H 0.83 0.03 2 1216 . 115 LEU HD1 H 0.87 0.03 2 1217 . 115 LEU C C 176.36 0.50 1 1218 . 115 LEU CA C 54.77 0.50 1 1219 . 115 LEU CB C 42.65 0.50 1 1220 . 115 LEU CG C 25.88 0.50 1 1221 . 115 LEU CD1 C 21.76 0.50 2 1222 . 115 LEU N N 119.36 0.25 1 1223 . 116 ASN H H 8.16 0.03 1 1224 . 116 ASN HA H 4.45 0.03 1 1225 . 116 ASN HB2 H 2.71 0.03 1 1226 . 116 ASN HB3 H 3.09 0.03 1 1227 . 116 ASN HD21 H 7.54 0.03 2 1228 . 116 ASN HD22 H 6.81 0.03 2 1229 . 116 ASN C C 173.83 0.50 1 1230 . 116 ASN CA C 53.86 0.50 1 1231 . 116 ASN CB C 37.29 0.50 1 1232 . 116 ASN CG C 178.14 0.50 1 1233 . 116 ASN N N 115.41 0.25 1 1234 . 116 ASN ND2 N 111.87 0.25 1 1235 . 117 THR H H 7.48 0.03 1 1236 . 117 THR HA H 4.73 0.03 1 1237 . 117 THR HB H 4.10 0.03 1 1238 . 117 THR HG2 H 1.00 0.03 1 1239 . 117 THR C C 172.57 0.50 1 1240 . 117 THR CA C 60.36 0.50 1 1241 . 117 THR CB C 69.36 0.50 1 1242 . 117 THR CG2 C 19.88 0.50 1 1243 . 117 THR N N 110.31 0.25 1 1244 . 118 THR H H 8.12 0.03 1 1245 . 118 THR HA H 4.54 0.03 1 1246 . 118 THR HB H 4.55 0.03 1 1247 . 118 THR HG2 H 1.18 0.03 1 1248 . 118 THR C C 173.91 0.50 1 1249 . 118 THR CA C 61.63 0.50 1 1250 . 118 THR CB C 69.13 0.50 1 1251 . 118 THR CG2 C 21.54 0.50 1 1252 . 118 THR N N 113.61 0.25 1 1253 . 119 ASP H H 8.41 0.03 1 1254 . 119 ASP HA H 4.76 0.03 1 1255 . 119 ASP HB2 H 2.97 0.03 2 1256 . 119 ASP HB3 H 2.58 0.03 2 1257 . 119 ASP C C 175.29 0.50 1 1258 . 119 ASP CA C 53.03 0.50 1 1259 . 119 ASP CB C 42.39 0.50 1 1260 . 119 ASP N N 124.56 0.25 1 1261 . 120 LEU H H 8.72 0.03 1 1262 . 120 LEU HA H 4.08 0.03 1 1263 . 120 LEU HB3 H 1.82 0.03 2 1264 . 120 LEU HB2 H 1.56 0.03 2 1265 . 120 LEU HG H 1.56 0.03 2 1266 . 120 LEU HD1 H 0.95 0.03 2 1267 . 120 LEU HD2 H 0.93 0.03 2 1268 . 120 LEU C C 177.95 0.50 1 1269 . 120 LEU CA C 58.20 0.50 1 1270 . 120 LEU CB C 41.86 0.50 1 1271 . 120 LEU CG C 27.11 0.50 1 1272 . 120 LEU CD1 C 25.86 0.50 2 1273 . 120 LEU CD2 C 23.61 0.50 2 1274 . 120 LEU N N 127.95 0.25 1 1275 . 121 GLU H H 8.10 0.03 1 1276 . 121 GLU HA H 4.00 0.03 1 1277 . 121 GLU HB3 H 2.19 0.03 2 1278 . 121 GLU HG3 H 2.45 0.03 2 1279 . 121 GLU HG2 H 2.40 0.03 2 1280 . 121 GLU C C 179.30 0.50 1 1281 . 121 GLU CA C 60.07 0.50 1 1282 . 121 GLU CB C 28.90 0.50 1 1283 . 121 GLU CG C 36.78 0.50 1 1284 . 121 GLU CD C 183.45 0.50 1 1285 . 121 GLU N N 117.27 0.25 1 1286 . 122 ALA H H 7.77 0.03 1 1287 . 122 ALA HA H 4.11 0.03 1 1288 . 122 ALA HB H 1.56 0.03 1 1289 . 122 ALA C C 181.18 0.50 1 1290 . 122 ALA CA C 54.91 0.50 1 1291 . 122 ALA CB C 18.05 0.50 1 1292 . 122 ALA N N 122.05 0.25 1 1293 . 123 ALA H H 8.44 0.03 1 1294 . 123 ALA HA H 4.11 0.03 1 1295 . 123 ALA HB H 1.40 0.03 1 1296 . 123 ALA C C 179.02 0.50 1 1297 . 123 ALA CA C 54.96 0.50 1 1298 . 123 ALA CB C 18.94 0.50 1 1299 . 123 ALA N N 121.51 0.25 1 1300 . 124 ALA H H 8.93 0.03 1 1301 . 124 ALA HA H 3.54 0.03 1 1302 . 124 ALA HB H 1.18 0.03 1 1303 . 124 ALA C C 179.09 0.50 1 1304 . 124 ALA CA C 55.41 0.50 1 1305 . 124 ALA CB C 18.54 0.50 1 1306 . 124 ALA N N 121.01 0.25 1 1307 . 125 ARG H H 8.08 0.03 1 1308 . 125 ARG HA H 4.20 0.03 1 1309 . 125 ARG HB2 H 2.17 0.03 1 1310 . 125 ARG HB3 H 2.01 0.03 1 1311 . 125 ARG HG3 H 1.81 0.03 2 1312 . 125 ARG HD3 H 3.35 0.03 2 1313 . 125 ARG HD2 H 3.27 0.03 2 1314 . 125 ARG HE H 7.54 0.03 1 1315 . 125 ARG C C 180.50 0.50 1 1316 . 125 ARG CA C 60.33 0.50 1 1317 . 125 ARG CB C 30.00 0.50 1 1318 . 125 ARG CG C 28.66 0.50 1 1319 . 125 ARG CD C 43.57 0.50 1 1320 . 125 ARG N N 116.58 0.25 1 1321 . 125 ARG NE N 83.96 0.25 1 1322 . 126 MET H H 7.96 0.03 1 1323 . 126 MET HA H 4.23 0.03 1 1324 . 126 MET HB2 H 2.23 0.03 1 1325 . 126 MET HB3 H 2.45 0.03 1 1326 . 126 MET HG3 H 2.86 0.03 2 1327 . 126 MET HG2 H 2.63 0.03 2 1328 . 126 MET HE H 2.13 0.03 1 1329 . 126 MET C C 179.48 0.50 1 1330 . 126 MET CA C 59.53 0.50 1 1331 . 126 MET CB C 32.58 0.50 1 1332 . 126 MET CG C 32.55 0.50 1 1333 . 126 MET CE C 17.66 0.50 1 1334 . 126 MET N N 120.62 0.25 1 1335 . 127 ILE H H 8.37 0.03 1 1336 . 127 ILE HA H 3.73 0.03 1 1337 . 127 ILE HB H 2.17 0.03 1 1338 . 127 ILE HG13 H 1.91 0.03 2 1339 . 127 ILE HG12 H 1.00 0.03 2 1340 . 127 ILE HG2 H 0.81 0.03 1 1341 . 127 ILE HD1 H 0.66 0.03 1 1342 . 127 ILE C C 177.96 0.50 1 1343 . 127 ILE CA C 61.82 0.50 1 1344 . 127 ILE CB C 34.71 0.50 1 1345 . 127 ILE CG1 C 26.19 0.50 1 1346 . 127 ILE CG2 C 17.59 0.50 1 1347 . 127 ILE CD1 C 9.39 0.50 1 1348 . 127 ILE N N 121.35 0.25 1 1349 . 128 ALA H H 9.07 0.03 1 1350 . 128 ALA HA H 3.97 0.03 1 1351 . 128 ALA HB H 1.77 0.03 1 1352 . 128 ALA C C 179.74 0.50 1 1353 . 128 ALA CA C 55.55 0.50 1 1354 . 128 ALA CB C 18.43 0.50 1 1355 . 128 ALA N N 122.36 0.25 1 1356 . 129 GLY H H 8.22 0.03 1 1357 . 129 GLY HA3 H 4.03 0.03 2 1358 . 129 GLY HA2 H 3.93 0.03 2 1359 . 129 GLY C C 177.21 0.50 1 1360 . 129 GLY CA C 47.21 0.50 1 1361 . 129 GLY N N 105.13 0.25 1 1362 . 130 SER H H 8.19 0.03 1 1363 . 130 SER HA H 4.26 0.03 1 1364 . 130 SER HB3 H 4.00 0.03 2 1365 . 130 SER HB2 H 3.80 0.03 2 1366 . 130 SER C C 176.95 0.50 1 1367 . 130 SER CA C 62.30 0.50 1 1368 . 130 SER CB C 62.39 0.50 1 1369 . 130 SER N N 120.11 0.25 1 1370 . 131 ALA H H 8.59 0.03 1 1371 . 131 ALA HA H 4.01 0.03 1 1372 . 131 ALA HB H 1.30 0.03 1 1373 . 131 ALA C C 179.33 0.50 1 1374 . 131 ALA CA C 55.68 0.50 1 1375 . 131 ALA CB C 17.07 0.50 1 1376 . 131 ALA N N 124.16 0.25 1 1377 . 132 ARG H H 8.45 0.03 1 1378 . 132 ARG HA H 4.35 0.03 1 1379 . 132 ARG HB3 H 2.04 0.03 2 1380 . 132 ARG HB2 H 1.98 0.03 2 1381 . 132 ARG HG3 H 2.04 0.03 2 1382 . 132 ARG HD3 H 3.31 0.03 2 1383 . 132 ARG C C 181.49 0.50 1 1384 . 132 ARG CA C 59.88 0.50 1 1385 . 132 ARG CB C 29.64 0.50 1 1386 . 132 ARG CG C 28.31 0.50 1 1387 . 132 ARG CD C 43.33 0.50 1 1388 . 132 ARG N N 118.34 0.25 1 1389 . 133 SER H H 8.18 0.03 1 1390 . 133 SER HA H 4.35 0.03 1 1391 . 133 SER HB3 H 4.11 0.03 2 1392 . 133 SER HB2 H 4.08 0.03 2 1393 . 133 SER C C 175.12 0.50 1 1394 . 133 SER CA C 61.52 0.50 1 1395 . 133 SER CB C 63.08 0.50 1 1396 . 133 SER N N 116.28 0.25 1 1397 . 134 MET H H 7.59 0.03 1 1398 . 134 MET HA H 4.53 0.03 1 1399 . 134 MET HB3 H 2.26 0.03 2 1400 . 134 MET HG3 H 2.76 0.03 2 1401 . 134 MET HG2 H 2.60 0.03 2 1402 . 134 MET HE H 2.06 0.03 1 1403 . 134 MET C C 175.82 0.50 1 1404 . 134 MET CA C 55.85 0.50 1 1405 . 134 MET CB C 34.47 0.50 1 1406 . 134 MET CG C 31.19 0.50 1 1407 . 134 MET CE C 16.31 0.50 1 1408 . 134 MET N N 118.35 0.25 1 1409 . 135 GLY H H 7.93 0.03 1 1410 . 135 GLY HA3 H 4.22 0.03 2 1411 . 135 GLY HA2 H 3.77 0.03 2 1412 . 135 GLY C C 173.99 0.50 1 1413 . 135 GLY CA C 45.73 0.50 1 1414 . 135 GLY N N 107.18 0.25 1 1415 . 136 VAL H H 7.89 0.03 1 1416 . 136 VAL HA H 3.94 0.03 1 1417 . 136 VAL HB H 1.74 0.03 1 1418 . 136 VAL HG1 H 0.63 0.03 2 1419 . 136 VAL C C 174.61 0.50 1 1420 . 136 VAL CA C 61.51 0.50 1 1421 . 136 VAL CB C 32.40 0.50 1 1422 . 136 VAL CG1 C 22.03 0.50 2 1423 . 136 VAL N N 122.23 0.25 1 1424 . 137 GLU H H 8.15 0.03 1 1425 . 137 GLU HA H 4.27 0.03 1 1426 . 137 GLU HB3 H 1.99 0.03 2 1427 . 137 GLU HG3 H 2.34 0.03 2 1428 . 137 GLU HG2 H 2.11 0.03 2 1429 . 137 GLU C C 174.90 0.50 1 1430 . 137 GLU CA C 55.90 0.50 1 1431 . 137 GLU CB C 31.32 0.50 1 1432 . 137 GLU CG C 36.17 0.50 1 1433 . 137 GLU CD C 183.30 0.50 1 1434 . 137 GLU N N 127.08 0.25 1 1435 . 138 VAL H H 8.42 0.03 1 1436 . 138 VAL HA H 4.83 0.03 1 1437 . 138 VAL HB H 2.06 0.03 1 1438 . 138 VAL HG1 H 1.02 0.03 2 1439 . 138 VAL HG2 H 0.95 0.03 2 1440 . 138 VAL C C 176.64 0.50 1 1441 . 138 VAL CA C 61.00 0.50 1 1442 . 138 VAL CB C 32.53 0.50 1 1443 . 138 VAL CG1 C 21.75 0.50 2 1444 . 138 VAL CG2 C 21.30 0.50 2 1445 . 138 VAL N N 125.31 0.25 1 1446 . 139 VAL H H 9.19 0.03 1 1447 . 139 VAL HA H 4.48 0.03 1 1448 . 139 VAL HB H 2.03 0.03 1 1449 . 139 VAL HG1 H 0.95 0.03 2 1450 . 139 VAL HG2 H 0.92 0.03 2 1451 . 139 VAL C C 176.00 0.50 1 1452 . 139 VAL CA C 61.32 0.50 1 1453 . 139 VAL CB C 33.85 0.50 1 1454 . 139 VAL CG1 C 21.01 0.50 2 1455 . 139 VAL CG2 C 20.08 0.50 2 1456 . 139 VAL N N 127.32 0.25 1 1457 . 140 GLY H H 8.82 0.03 1 1458 . 140 GLY HA3 H 4.26 0.03 2 1459 . 140 GLY HA2 H 3.75 0.03 2 1460 . 140 GLY C C 174.47 0.50 1 1461 . 140 GLY CA C 45.48 0.50 1 1462 . 140 GLY N N 112.41 0.25 1 1463 . 141 ALA H H 8.00 0.03 1 1464 . 141 ALA HA H 3.53 0.03 1 1465 . 141 ALA HB H 0.95 0.03 1 1466 . 141 ALA C C 175.27 0.50 1 1467 . 141 ALA CA C 50.32 0.50 1 1468 . 141 ALA CB C 17.94 0.50 1 1469 . 141 ALA N N 122.75 0.25 1 1470 . 142 PRO HA H 4.15 0.03 1 1471 . 142 PRO HB3 H 2.03 0.03 2 1472 . 142 PRO HB2 H 1.62 0.03 2 1473 . 142 PRO HG3 H 1.87 0.03 2 1474 . 142 PRO HG2 H 1.83 0.03 2 1475 . 142 PRO C C 176.60 0.50 1 1476 . 142 PRO CA C 62.52 0.50 1 1477 . 142 PRO CB C 31.74 0.50 1 1478 . 142 PRO CG C 26.85 0.50 1 1479 . 143 GLU H H 8.33 0.03 1 1480 . 143 GLU HA H 4.16 0.03 1 1481 . 143 GLU HB2 H 1.83 0.03 1 1482 . 143 GLU HB3 H 1.93 0.03 1 1483 . 143 GLU HG2 H 2.21 0.03 2 1484 . 143 GLU HG3 H 2.14 0.03 2 1485 . 143 GLU C C 176.30 0.50 1 1486 . 143 GLU CA C 56.25 0.50 1 1487 . 143 GLU CB C 30.42 0.50 1 1488 . 143 GLU CG C 36.13 0.50 1 1489 . 143 GLU CD C 183.93 0.50 1 1490 . 143 GLU N N 121.56 0.25 1 1491 . 144 VAL H H 8.25 0.03 1 1492 . 144 VAL HA H 4.04 0.03 1 1493 . 144 VAL HB H 1.99 0.03 1 1494 . 144 VAL HG1 H 0.88 0.03 2 1495 . 144 VAL C C 175.87 0.50 1 1496 . 144 VAL CA C 62.20 0.50 1 1497 . 144 VAL CB C 32.81 0.50 1 1498 . 144 VAL CG1 C 20.76 0.50 2 1499 . 144 VAL N N 122.73 0.25 1 1500 . 145 LYS H H 8.42 0.03 1 1501 . 145 LYS HA H 4.36 0.03 1 1502 . 145 LYS HB3 H 1.77 0.03 2 1503 . 145 LYS HG3 H 1.38 0.03 2 1504 . 145 LYS HD3 H 1.67 0.03 2 1505 . 145 LYS HE3 H 2.97 0.03 2 1506 . 145 LYS C C 176.02 0.50 1 1507 . 145 LYS CA C 56.06 0.50 1 1508 . 145 LYS CB C 33.37 0.50 1 1509 . 145 LYS CG C 24.39 0.50 1 1510 . 145 LYS CD C 28.98 0.50 1 1511 . 145 LYS CE C 42.39 0.50 1 1512 . 145 LYS N N 125.70 0.25 1 1513 . 146 ASP H H 8.36 0.03 1 1514 . 146 ASP HA H 4.56 0.03 1 1515 . 146 ASP HB2 H 2.69 0.03 1 1516 . 146 ASP HB3 H 2.59 0.03 1 1517 . 146 ASP C C 174.78 0.50 1 1518 . 146 ASP CA C 54.55 0.50 1 1519 . 146 ASP CB C 41.11 0.50 1 1520 . 146 ASP CG C 180.37 0.50 1 1521 . 146 ASP N N 122.04 0.25 1 1522 . 147 ALA H H 7.81 0.03 1 1523 . 147 ALA HA H 4.10 0.03 1 1524 . 147 ALA HB H 1.32 0.03 1 1525 . 147 ALA C C 182.37 0.50 1 1526 . 147 ALA CA C 53.86 0.50 1 1527 . 147 ALA CB C 20.38 0.50 1 1528 . 147 ALA N N 128.78 0.25 1 stop_ save_