data_7314 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The backbone chemical shifts of ribosomal protein L11 in the complex with rRNA ; _BMRB_accession_number 7314 _BMRB_flat_file_name bmr7314.str _Entry_type original _Submission_date 2006-10-13 _Accession_date 2006-10-13 _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 Lee Donghan . . 2 Wang Yun-Xing . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 256 "13C chemical shifts" 350 "15N chemical shifts" 136 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-05-04 original author . stop_ _Original_release_date 2007-05-04 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; The structure of free L11 and functional dyanamics of L11 in free, L11-rRNA(58nt) binary and L11-rRNA(58nt)-thiostrepton ternary complexes ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17292917 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lee D. . . 2 Walsh JD. . . 3 Yu P. . . 4 Markus MA. . . 5 Choli-Papadopoulou T. . . 6 Schwieters CD. . . 7 Krueger S. . . 8 Draper DE. . . 9 Wang YX. . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 367 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1007 _Page_last 1022 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'L11 in complex with rRNA' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label L11 $unlabelled RNA $RNA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_unlabelled _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common L11 _Molecular_mass . _Mol_thiol_state 'all free' _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 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 4965 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_ save_RNA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common RNA _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 58 _Mol_residue_sequence ; GCCAGGAUGUUGGCUUAGAA GCAGCCAUCAUUUAAAGAAA GCGUAAUAGCUCACUGGU ; loop_ _Residue_seq_code _Residue_label 1 G 2 C 3 C 4 A 5 G 6 G 7 A 8 U 9 G 10 U 11 U 12 G 13 G 14 C 15 U 16 U 17 A 18 G 19 A 20 A 21 G 22 C 23 A 24 G 25 C 26 C 27 A 28 U 29 C 30 A 31 U 32 U 33 U 34 A 35 A 36 A 37 G 38 A 39 A 40 A 41 G 42 C 43 G 44 U 45 A 46 A 47 U 48 A 49 G 50 C 51 U 52 C 53 A 54 C 55 U 56 G 57 G 58 U stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $unlabelled 'Thermus thermophilus' 274 Bacteria . Thermus thermophilus $RNA 'Thermus thermophilus' 274 Bacteria . 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_name $unlabelled 'recombinant technology' . . . . . $RNA 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $unlabelled 0.7 mM '[U-13C; U-15N; U-2H]' $RNA . mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_800MHz_spectrometer2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_1D_[15N,1H]-TRACT_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1D [15N,1H]-TRACT' _Sample_label $sample_1 save_ save_3D_TROSY-HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCA' _Sample_label $sample_1 save_ save_3D_TROSY-HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCACB' _Sample_label $sample_1 save_ save_3D_aromatic_TROSY-hCCH_COSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D aromatic TROSY-hCCH COSY' _Sample_label $sample_1 save_ save_3D_15N-resolved_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-resolved NOESY' _Sample_label $sample_1 save_ save_3D_13C-resolved_NOESY_(aromatic_carbon)_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-resolved NOESY (aromatic carbon)' _Sample_label $sample_1 save_ save_1D_15N-1H-TRACT _Saveframe_category NMR_applied_experiment _Experiment_name '1D [15N,1H]-TRACT' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_TROSY-HNCA _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_TROSY-HNCACB _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCACB' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_aromatic_TROSY-hCCH_COSY _Saveframe_category NMR_applied_experiment _Experiment_name '3D aromatic TROSY-hCCH COSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_15N-resolved_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-resolved NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_13C-resolved_NOESY_(aromatic_carbon) _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-resolved NOESY (aromatic carbon)' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.1 pH temperature 308 . 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 L11 1H 1 protons ppm 0.01 internal 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 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 1 MET H H 8.353 0.020 1 2 1 1 MET CA C 54.589 0.400 1 3 1 1 MET CB C 32.567 0.400 1 4 1 1 MET N N 121.854 0.400 1 5 2 2 LYS H H 8.010 0.020 1 6 2 2 LYS CA C 55.768 0.400 1 7 2 2 LYS CB C 32.931 0.400 1 8 2 2 LYS N N 120.821 0.400 1 9 3 3 LYS H H 8.321 0.020 1 10 3 3 LYS CA C 56.096 0.400 1 11 3 3 LYS N N 121.884 0.400 1 12 4 4 VAL H H 8.462 0.020 1 13 4 4 VAL HG1 H 0.921 0.020 2 14 4 4 VAL CA C 63.211 0.400 1 15 4 4 VAL CB C 32.840 0.400 1 16 4 4 VAL CG1 C 22.264 0.400 1 17 4 4 VAL N N 126.381 0.400 1 18 5 5 VAL H H 8.859 0.020 1 19 5 5 VAL HG1 H 0.734 0.020 2 20 5 5 VAL CA C 61.813 0.400 1 21 5 5 VAL CB C 32.795 0.400 1 22 5 5 VAL CG1 C 19.667 0.400 1 23 5 5 VAL N N 121.075 0.400 1 24 6 6 ALA H H 7.495 0.020 1 25 6 6 ALA HB H 0.706 0.020 1 26 6 6 ALA CA C 52.275 0.400 1 27 6 6 ALA CB C 21.598 0.400 1 28 6 6 ALA N N 121.186 0.400 1 29 7 7 VAL H H 7.412 0.020 1 30 7 7 VAL HG1 H 0.859 0.020 2 31 7 7 VAL CA C 61.742 0.400 1 32 7 7 VAL CB C 33.341 0.400 1 33 7 7 VAL CG1 C 20.869 0.400 1 34 7 7 VAL N N 118.935 0.400 1 35 8 8 VAL H H 9.324 0.020 1 36 8 8 VAL HG1 H 0.811 0.020 2 37 8 8 VAL CA C 61.128 0.400 1 38 8 8 VAL CB C 34.797 0.400 1 39 8 8 VAL CG1 C 20.896 0.400 1 40 8 8 VAL N N 128.555 0.400 1 41 9 9 LYS H H 8.602 0.020 1 42 9 9 LYS CA C 55.646 0.400 1 43 9 9 LYS CB C 33.841 0.400 1 44 9 9 LYS N N 127.975 0.400 1 45 10 10 LEU H H 8.397 0.020 1 46 10 10 LEU HD1 H 0.477 0.020 2 47 10 10 LEU HD2 H 0.864 0.020 2 48 10 10 LEU CA C 52.932 0.400 1 49 10 10 LEU CB C 45.716 0.400 1 50 10 10 LEU CD1 C 27.253 0.400 1 51 10 10 LEU CD2 C 23.417 0.400 1 52 10 10 LEU N N 120.944 0.400 1 53 11 11 GLN H H 8.717 0.020 1 54 11 11 GLN HG2 H 1.791 0.020 1 55 11 11 GLN HG3 H 1.791 0.020 1 56 11 11 GLN CA C 55.509 0.400 1 57 11 11 GLN CB C 28.564 0.400 1 58 11 11 GLN CG C 33.026 0.400 1 59 11 11 GLN N N 120.130 0.400 1 60 12 12 LEU H H 7.949 0.020 1 61 12 12 LEU HD1 H 0.011 0.020 2 62 12 12 LEU CA C 51.136 0.400 1 63 12 12 LEU CB C 44.351 0.400 1 64 12 12 LEU CD1 C 24.373 0.400 1 65 12 12 LEU N N 122.548 0.400 1 66 13 13 PRO CA C 62.033 0.400 1 67 14 14 ALA H H 8.490 0.020 1 68 14 14 ALA HB H 1.398 0.020 1 69 14 14 ALA CA C 53.590 0.400 1 70 14 14 ALA CB C 18.610 0.400 1 71 14 14 ALA N N 125.995 0.400 1 72 15 15 GLY H H 8.512 0.020 1 73 15 15 GLY HA2 H 3.031 0.020 1 74 15 15 GLY HA3 H 3.031 0.020 1 75 15 15 GLY CA C 45.970 0.400 1 76 15 15 GLY N N 108.435 0.400 1 77 16 16 LYS H H 7.571 0.020 1 78 16 16 LYS CA C 55.247 0.400 1 79 16 16 LYS CB C 33.159 0.400 1 80 16 16 LYS N N 119.799 0.400 1 81 17 17 ALA H H 9.658 0.020 1 82 17 17 ALA HB H 1.268 0.020 1 83 17 17 ALA CA C 52.987 0.400 1 84 17 17 ALA CB C 19.089 0.400 1 85 17 17 ALA N N 124.744 0.400 1 86 18 18 THR H H 7.849 0.020 1 87 18 18 THR CA C 59.429 0.400 1 88 18 18 THR CB C 70.239 0.400 1 89 18 18 THR N N 111.495 0.400 1 90 19 19 PRO CA C 63.277 0.400 1 91 20 20 ALA H H 7.309 0.020 1 92 20 20 ALA HB H 1.253 0.020 1 93 20 20 ALA CA C 51.191 0.400 1 94 20 20 ALA CB C 16.463 0.400 1 95 20 20 ALA N N 120.966 0.400 1 96 22 22 PRO CA C 63.770 0.400 1 97 23 23 VAL H H 7.941 0.020 1 98 23 23 VAL HG1 H 1.020 0.020 2 99 23 23 VAL HG2 H 0.697 0.020 2 100 23 23 VAL CA C 66.949 0.400 1 101 23 23 VAL CB C 31.657 0.400 1 102 23 23 VAL CG1 C 25.008 0.400 1 103 23 23 VAL CG2 C 21.743 0.400 1 104 23 23 VAL N N 125.279 0.400 1 105 24 24 GLY H H 6.664 0.020 1 106 24 24 GLY CA C 48.642 0.400 1 107 24 24 GLY N N 102.079 0.400 1 108 25 25 PRO CA C 64.839 0.400 1 109 26 26 ALA H H 6.919 0.020 1 110 26 26 ALA HB H 1.475 0.020 1 111 26 26 ALA CA C 54.644 0.400 1 112 26 26 ALA CB C 18.372 0.400 1 113 26 26 ALA N N 116.826 0.400 1 114 27 27 LEU H H 7.521 0.020 1 115 27 27 LEU HD1 H 0.272 0.020 2 116 27 27 LEU HD2 H 0.163 0.020 2 117 27 27 LEU CA C 57.017 0.400 1 118 27 27 LEU CB C 41.621 0.400 1 119 27 27 LEU CD1 C 24.489 0.400 1 120 27 27 LEU CD2 C 23.944 0.400 1 121 27 27 LEU N N 113.462 0.400 1 122 28 28 GLY H H 9.035 0.020 1 123 28 28 GLY CA C 46.628 0.400 1 124 28 28 GLY N N 109.146 0.400 1 125 29 29 GLN H H 7.586 0.020 1 126 29 29 GLN CA C 57.713 0.400 1 127 29 29 GLN CB C 26.607 0.400 1 128 29 29 GLN CG C 32.589 0.400 1 129 29 29 GLN N N 118.208 0.400 1 130 30 30 HIS H H 6.755 0.020 1 131 30 30 HIS HD2 H 7.170 0.020 1 132 30 30 HIS HE1 H 8.087 0.020 1 133 30 30 HIS CA C 55.153 0.400 1 134 30 30 HIS CB C 32.203 0.400 1 135 30 30 HIS CD2 C 123.182 0.400 1 136 30 30 HIS CE1 C 132.868 0.400 1 137 30 30 HIS N N 113.799 0.400 1 138 31 31 GLY H H 7.627 0.020 1 139 31 31 GLY CA C 45.970 0.400 1 140 31 31 GLY N N 105.964 0.400 1 141 32 32 ALA H H 6.985 0.020 1 142 32 32 ALA HB H 1.199 0.020 1 143 32 32 ALA CA C 51.054 0.400 1 144 32 32 ALA CB C 19.555 0.400 1 145 32 32 ALA N N 119.434 0.400 1 146 33 33 ASN H H 9.055 0.020 1 147 33 33 ASN CA C 53.849 0.400 1 148 33 33 ASN CB C 37.663 0.400 1 149 33 33 ASN N N 119.002 0.400 1 150 34 34 ILE H H 7.848 0.020 1 151 34 34 ILE HD1 H 0.974 0.020 1 152 34 34 ILE CA C 65.415 0.400 1 153 34 34 ILE CB C 39.301 0.400 1 154 34 34 ILE CG2 C 18.394 0.400 1 155 34 34 ILE CD1 C 14.969 0.400 1 156 34 34 ILE N N 126.610 0.400 1 157 35 35 MET H H 8.167 0.020 1 158 35 35 MET CA C 56.907 0.400 1 159 35 35 MET CB C 29.610 0.400 1 160 35 35 MET CG C 32.516 0.400 1 161 35 35 MET N N 116.057 0.400 1 162 36 36 GLU H H 7.946 0.020 1 163 36 36 GLU HG2 H 2.392 0.020 1 164 36 36 GLU HG3 H 2.392 0.020 1 165 36 36 GLU CA C 59.111 0.400 1 166 36 36 GLU CB C 29.064 0.400 1 167 36 36 GLU CG C 36.738 0.400 1 168 36 36 GLU N N 119.104 0.400 1 169 37 37 PHE H H 7.756 0.020 1 170 37 37 PHE HD1 H 6.535 0.020 1 171 37 37 PHE HZ H 6.292 0.020 1 172 37 37 PHE CA C 62.208 0.400 1 173 37 37 PHE CB C 37.663 0.400 1 174 37 37 PHE CD1 C 129.455 0.400 1 175 37 37 PHE CZ C 128.431 0.400 1 176 37 37 PHE N N 119.419 0.400 1 177 38 38 VAL H H 8.318 0.020 1 178 38 38 VAL HG1 H 0.755 0.020 2 179 38 38 VAL CA C 67.224 0.400 1 180 38 38 VAL CB C 31.566 0.400 1 181 38 38 VAL CG1 C 23.620 0.400 1 182 38 38 VAL N N 118.970 0.400 1 183 39 39 LYS H H 7.812 0.020 1 184 39 39 LYS CA C 59.593 0.400 1 185 39 39 LYS CB C 31.930 0.400 1 186 39 39 LYS N N 116.240 0.400 1 187 40 40 ALA H H 7.795 0.020 1 188 40 40 ALA HB H 1.768 0.020 1 189 40 40 ALA CA C 54.863 0.400 1 190 40 40 ALA CB C 18.617 0.400 1 191 40 40 ALA N N 121.866 0.400 1 192 41 41 PHE H H 8.981 0.020 1 193 41 41 PHE HD1 H 7.473 0.020 1 194 41 41 PHE HE1 H 7.369 0.020 1 195 41 41 PHE HZ H 7.132 0.020 1 196 41 41 PHE CA C 61.907 0.400 1 197 41 41 PHE CB C 37.890 0.400 1 198 41 41 PHE CD1 C 129.257 0.400 1 199 41 41 PHE CE1 C 129.827 0.400 1 200 41 41 PHE CZ C 128.451 0.400 1 201 41 41 PHE N N 121.283 0.400 1 202 42 42 ASN H H 8.519 0.020 1 203 42 42 ASN CA C 55.822 0.400 1 204 42 42 ASN CB C 35.707 0.400 1 205 42 42 ASN N N 121.628 0.400 1 206 43 43 ALA H H 7.667 0.020 1 207 43 43 ALA HB H 1.492 0.020 1 208 43 43 ALA CA C 54.616 0.400 1 209 43 43 ALA CB C 18.008 0.400 1 210 43 43 ALA N N 120.684 0.400 1 211 44 44 ALA H H 7.765 0.020 1 212 44 44 ALA HB H 1.573 0.020 1 213 44 44 ALA CA C 54.096 0.400 1 214 44 44 ALA CB C 18.372 0.400 1 215 44 44 ALA N N 118.376 0.400 1 216 45 45 THR H H 7.335 0.020 1 217 45 45 THR HG2 H 0.657 0.020 1 218 45 45 THR CA C 61.046 0.400 1 219 45 45 THR CB C 69.648 0.400 1 220 45 45 THR CG2 C 20.290 0.400 1 221 45 45 THR N N 103.432 0.400 1 222 46 46 ALA H H 7.001 0.020 1 223 46 46 ALA HB H 1.500 0.020 1 224 46 46 ALA CA C 54.906 0.400 1 225 46 46 ALA CB C 18.554 0.400 1 226 46 46 ALA N N 123.945 0.400 1 227 47 47 ASN H H 8.382 0.020 1 228 47 47 ASN CA C 52.999 0.400 1 229 47 47 ASN CB C 37.799 0.400 1 230 47 47 ASN N N 112.613 0.400 1 231 48 48 MET H H 7.589 0.020 1 232 48 48 MET HG2 H 2.449 0.020 1 233 48 48 MET HG3 H 2.449 0.020 1 234 48 48 MET CA C 56.386 0.400 1 235 48 48 MET CB C 32.067 0.400 1 236 48 48 MET CG C 31.932 0.400 1 237 48 48 MET N N 117.138 0.400 1 238 49 49 GLY H H 7.966 0.020 1 239 49 49 GLY CA C 45.970 0.400 1 240 49 49 GLY N N 108.408 0.400 1 241 50 50 ASP H H 8.216 0.020 1 242 50 50 ASP CA C 53.508 0.400 1 243 50 50 ASP CB C 40.211 0.400 1 244 50 50 ASP N N 122.559 0.400 1 245 51 51 ALA H H 7.384 0.020 1 246 51 51 ALA HB H 1.133 0.020 1 247 51 51 ALA CA C 52.138 0.400 1 248 51 51 ALA CB C 19.100 0.400 1 249 51 51 ALA N N 123.243 0.400 1 250 52 52 ILE H H 7.274 0.020 1 251 52 52 ILE HG2 H 0.330 0.020 1 252 52 52 ILE HD1 H 0.564 0.020 1 253 52 52 ILE CA C 59.456 0.400 1 254 52 52 ILE CG2 C 16.761 0.400 1 255 52 52 ILE CD1 C 10.665 0.400 1 256 52 52 ILE N N 120.127 0.400 1 257 53 53 VAL H H 9.358 0.020 1 258 53 53 VAL CA C 59.401 0.400 1 259 53 53 VAL CB C 34.160 0.400 1 260 53 53 VAL N N 128.541 0.400 1 261 54 54 PRO CA C 61.512 0.400 1 262 55 55 VAL H H 9.328 0.020 1 263 55 55 VAL HG1 H 0.933 0.020 2 264 55 55 VAL CA C 58.661 0.400 1 265 55 55 VAL CB C 35.434 0.400 1 266 55 55 VAL CG1 C 21.323 0.400 1 267 55 55 VAL N N 120.627 0.400 1 268 56 56 GLU H H 8.626 0.020 1 269 56 56 GLU HG2 H 1.968 0.020 1 270 56 56 GLU HG3 H 1.968 0.020 1 271 56 56 GLU CA C 54.781 0.400 1 272 56 56 GLU CB C 31.475 0.400 1 273 56 56 GLU CG C 36.564 0.400 1 274 56 56 GLU N N 125.876 0.400 1 275 57 57 ILE H H 9.972 0.020 1 276 57 57 ILE HG2 H 0.588 0.020 1 277 57 57 ILE HD1 H -0.016 0.020 1 278 57 57 ILE CA C 60.838 0.400 1 279 57 57 ILE CB C 39.892 0.400 1 280 57 57 ILE CG2 C 18.148 0.400 1 281 57 57 ILE CD1 C 15.849 0.400 1 282 57 57 ILE N N 131.541 0.400 1 283 58 58 THR H H 9.326 0.020 1 284 58 58 THR HG2 H 0.553 0.020 1 285 58 58 THR CA C 63.304 0.400 1 286 58 58 THR CB C 69.466 0.400 1 287 58 58 THR CG2 C 21.961 0.400 1 288 58 58 THR N N 125.765 0.400 1 289 59 59 ILE H H 8.660 0.020 1 290 59 59 ILE HG2 H 0.967 0.020 1 291 59 59 ILE HD1 H 0.667 0.020 1 292 59 59 ILE CA C 59.922 0.400 1 293 59 59 ILE CB C 38.800 0.400 1 294 59 59 ILE CG2 C 17.081 0.400 1 295 59 59 ILE CD1 C 14.472 0.400 1 296 59 59 ILE N N 124.934 0.400 1 297 60 60 TYR H H 8.635 0.020 1 298 60 60 TYR HD1 H 7.092 0.020 1 299 60 60 TYR HE1 H 6.904 0.020 1 300 60 60 TYR CA C 57.839 0.400 1 301 60 60 TYR CB C 40.074 0.400 1 302 60 60 TYR CD1 C 130.384 0.400 1 303 60 60 TYR CE1 C 122.797 0.400 1 304 60 60 TYR N N 125.915 0.400 1 305 61 61 ALA H H 8.745 0.020 1 306 61 61 ALA HB H 1.519 0.020 1 307 61 61 ALA CA C 55.070 0.400 1 308 61 61 ALA CB C 18.372 0.400 1 309 61 61 ALA N N 122.239 0.400 1 310 62 62 ASP H H 7.810 0.020 1 311 62 62 ASP CA C 53.383 0.400 1 312 62 62 ASP CB C 39.346 0.400 1 313 62 62 ASP N N 115.283 0.400 1 314 63 63 ARG H H 8.471 0.020 1 315 63 63 ARG CA C 58.864 0.400 1 316 63 63 ARG CB C 26.152 0.400 1 317 63 63 ARG N N 112.651 0.400 1 318 64 64 SER H H 8.053 0.020 1 319 64 64 SER CA C 59.182 0.400 1 320 64 64 SER CB C 65.143 0.400 1 321 64 64 SER N N 114.387 0.400 1 322 65 65 PHE H H 7.786 0.020 1 323 65 65 PHE HD1 H 7.271 0.020 1 324 65 65 PHE CA C 56.261 0.400 1 325 65 65 PHE CB C 43.077 0.400 1 326 65 65 PHE CD1 C 129.863 0.400 1 327 65 65 PHE N N 111.320 0.400 1 328 66 66 THR H H 9.212 0.020 1 329 66 66 THR HG2 H 1.352 0.020 1 330 66 66 THR CA C 60.690 0.400 1 331 66 66 THR CB C 72.605 0.400 1 332 66 66 THR CG2 C 21.706 0.400 1 333 66 66 THR N N 111.901 0.400 1 334 67 67 PHE H H 8.808 0.020 1 335 67 67 PHE HD1 H 7.694 0.020 1 336 67 67 PHE HZ H 7.284 0.020 1 337 67 67 PHE CA C 56.316 0.400 1 338 67 67 PHE CB C 43.168 0.400 1 339 67 67 PHE CD1 C 129.275 0.400 1 340 67 67 PHE CZ C 128.363 0.400 1 341 67 67 PHE N N 116.344 0.400 1 342 68 68 VAL H H 8.481 0.020 1 343 68 68 VAL HG1 H 1.035 0.020 2 344 68 68 VAL CA C 60.043 0.400 1 345 68 68 VAL CB C 35.297 0.400 1 346 68 68 VAL CG1 C 20.141 0.400 1 347 68 68 VAL N N 116.157 0.400 1 348 69 69 THR H H 8.427 0.020 1 349 69 69 THR HG2 H 1.036 0.020 1 350 69 69 THR CA C 60.004 0.400 1 351 69 69 THR CB C 69.966 0.400 1 352 69 69 THR CG2 C 21.292 0.400 1 353 69 69 THR N N 114.153 0.400 1 354 70 70 LYS H H 8.226 0.020 1 355 70 70 LYS CA C 54.166 0.400 1 356 70 70 LYS CB C 33.614 0.400 1 357 70 70 LYS N N 121.101 0.400 1 358 71 71 THR H H 9.215 0.020 1 359 71 71 THR HG2 H 1.526 0.020 1 360 71 71 THR CA C 61.320 0.400 1 361 71 71 THR CB C 69.147 0.400 1 362 71 71 THR CG2 C 22.085 0.400 1 363 71 71 THR N N 113.063 0.400 1 364 73 73 PRO CA C 62.225 0.400 1 365 74 74 ALA H H 9.595 0.020 1 366 74 74 ALA HB H 1.479 0.020 1 367 74 74 ALA CA C 56.551 0.400 1 368 74 74 ALA CB C 17.160 0.400 1 369 74 74 ALA N N 126.536 0.400 1 370 75 75 SER H H 9.054 0.020 1 371 75 75 SER CA C 60.580 0.400 1 372 75 75 SER CB C 62.505 0.400 1 373 75 75 SER N N 110.348 0.400 1 374 76 76 TYR H H 6.892 0.020 1 375 76 76 TYR HD1 H 7.175 0.020 1 376 76 76 TYR HE1 H 6.824 0.020 1 377 76 76 TYR CA C 61.210 0.400 1 378 76 76 TYR CB C 37.845 0.400 1 379 76 76 TYR CD1 C 130.417 0.400 1 380 76 76 TYR CE1 C 122.779 0.400 1 381 76 76 TYR N N 122.961 0.400 1 382 77 77 LEU H H 7.830 0.020 1 383 77 77 LEU HD1 H 0.918 0.020 2 384 77 77 LEU HD2 H 0.579 0.020 2 385 77 77 LEU CA C 57.494 0.400 1 386 77 77 LEU CB C 41.894 0.400 1 387 77 77 LEU CD1 C 26.739 0.400 1 388 77 77 LEU CD2 C 22.325 0.400 1 389 77 77 LEU N N 118.178 0.400 1 390 78 78 ILE H H 8.863 0.020 1 391 78 78 ILE HG2 H 0.687 0.020 1 392 78 78 ILE HD1 H 0.749 0.020 1 393 78 78 ILE CA C 65.788 0.400 1 394 78 78 ILE CB C 37.208 0.400 1 395 78 78 ILE CG2 C 17.604 0.400 1 396 78 78 ILE CD1 C 14.468 0.400 1 397 78 78 ILE N N 120.244 0.400 1 398 79 79 ARG H H 7.921 0.020 1 399 79 79 ARG CA C 61.320 0.400 1 400 79 79 ARG CB C 28.473 0.400 1 401 79 79 ARG N N 117.942 0.400 1 402 80 80 LYS H H 7.795 0.020 1 403 80 80 LYS CA C 58.223 0.400 1 404 80 80 LYS CB C 30.565 0.400 1 405 80 80 LYS N N 117.486 0.400 1 406 81 81 ALA H H 7.634 0.020 1 407 81 81 ALA HB H 1.427 0.020 1 408 81 81 ALA CA C 54.616 0.400 1 409 81 81 ALA CB C 18.236 0.400 1 410 81 81 ALA N N 122.018 0.400 1 411 82 82 ALA H H 8.041 0.020 1 412 82 82 ALA HB H 1.202 0.020 1 413 82 82 ALA CA C 51.766 0.400 1 414 82 82 ALA CB C 19.146 0.400 1 415 82 82 ALA N N 116.263 0.400 1 416 83 83 GLY H H 7.703 0.020 1 417 83 83 GLY CA C 46.531 0.400 1 418 83 83 GLY N N 108.505 0.400 1 419 84 84 LEU H H 8.143 0.020 1 420 84 84 LEU HD1 H 0.599 0.020 2 421 84 84 LEU HD2 H 0.545 0.020 2 422 84 84 LEU CA C 53.164 0.400 1 423 84 84 LEU CB C 44.761 0.400 1 424 84 84 LEU CD1 C 26.298 0.400 1 425 84 84 LEU CD2 C 22.660 0.400 1 426 84 84 LEU N N 117.960 0.400 1 427 85 85 GLU H H 8.674 0.020 1 428 85 85 GLU HG2 H 2.228 0.020 1 429 85 85 GLU HG3 H 2.228 0.020 1 430 85 85 GLU CA C 57.412 0.400 1 431 85 85 GLU CG C 36.302 0.400 1 432 85 85 GLU N N 119.910 0.400 1 433 86 86 LYS H H 7.303 0.020 1 434 86 86 LYS CA C 54.616 0.400 1 435 86 86 LYS CB C 36.571 0.400 1 436 86 86 LYS N N 115.403 0.400 1 437 87 87 GLY H H 8.985 0.020 1 438 87 87 GLY CA C 43.668 0.400 1 439 87 87 GLY N N 105.979 0.400 1 440 88 88 ALA H H 7.732 0.020 1 441 88 88 ALA HB H 1.202 0.020 1 442 88 88 ALA CA C 52.329 0.400 1 443 88 88 ALA CB C 19.323 0.400 1 444 88 88 ALA N N 116.272 0.400 1 445 89 89 HIS H H 8.076 0.020 1 446 89 89 HIS HD2 H 7.170 0.020 1 447 89 89 HIS HE1 H 8.087 0.020 1 448 89 89 HIS CA C 58.042 0.400 1 449 89 89 HIS CB C 27.972 0.400 1 450 89 89 HIS CD2 C 123.656 0.400 1 451 89 89 HIS CE1 C 132.326 0.400 1 452 89 89 HIS N N 116.717 0.400 1 453 90 90 LYS H H 8.428 0.020 1 454 90 90 LYS CA C 53.602 0.400 1 455 90 90 LYS CB C 33.022 0.400 1 456 90 90 LYS N N 117.836 0.400 1 457 91 91 PRO CA C 64.554 0.400 1 458 92 92 GLY H H 8.019 0.020 1 459 92 92 GLY CA C 46.601 0.400 1 460 92 92 GLY N N 113.126 0.400 1 461 93 93 ARG H H 7.595 0.020 1 462 93 93 ARG CA C 57.044 0.400 1 463 93 93 ARG CB C 29.519 0.400 1 464 93 93 ARG N N 118.821 0.400 1 465 94 94 GLU H H 8.013 0.020 1 466 94 94 GLU CA C 54.397 0.400 1 467 94 94 GLU CB C 31.885 0.400 1 468 94 94 GLU N N 117.494 0.400 1 469 95 95 LYS CA C 54.687 0.400 1 470 96 96 VAL H H 8.722 0.020 1 471 96 96 VAL HG1 H 0.871 0.020 2 472 96 96 VAL HG2 H 0.814 0.020 2 473 96 96 VAL CA C 61.276 0.400 1 474 96 96 VAL CB C 32.795 0.400 1 475 96 96 VAL CG1 C 22.210 0.400 1 476 96 96 VAL CG2 C 19.122 0.400 1 477 96 96 VAL N N 115.140 0.400 1 478 97 97 GLY H H 7.436 0.020 1 479 97 97 GLY CA C 45.079 0.400 1 480 97 97 GLY N N 104.820 0.400 1 481 98 98 ARG H H 8.749 0.020 1 482 98 98 ARG CA C 54.836 0.400 1 483 98 98 ARG CB C 33.432 0.400 1 484 98 98 ARG N N 119.542 0.400 1 485 99 99 ILE H H 8.824 0.020 1 486 99 99 ILE HG2 H 0.709 0.020 1 487 99 99 ILE HD1 H 0.576 0.020 1 488 99 99 ILE CA C 59.155 0.400 1 489 99 99 ILE CB C 41.530 0.400 1 490 99 99 ILE CG2 C 17.488 0.400 1 491 99 99 ILE CD1 C 14.682 0.400 1 492 99 99 ILE N N 115.983 0.400 1 493 100 100 THR H H 8.963 0.020 1 494 100 100 THR HG2 H 1.248 0.020 1 495 100 100 THR CA C 60.361 0.400 1 496 100 100 THR CB C 71.513 0.400 1 497 100 100 THR CG2 C 21.452 0.400 1 498 100 100 THR N N 112.656 0.400 1 499 101 101 TRP H H 8.576 0.020 1 500 101 101 TRP HD1 H 7.270 0.020 1 501 101 101 TRP HE1 H 10.517 0.020 1 502 101 101 TRP HE3 H 7.341 0.020 1 503 101 101 TRP HZ2 H 7.562 0.020 1 504 101 101 TRP HZ3 H 7.010 0.020 1 505 101 101 TRP HH2 H 7.073 0.020 1 506 101 101 TRP CA C 59.851 0.400 1 507 101 101 TRP CB C 29.428 0.400 1 508 101 101 TRP CD1 C 127.434 0.400 1 509 101 101 TRP CE3 C 123.475 0.400 1 510 101 101 TRP CZ3 C 124.147 0.400 1 511 101 101 TRP CH2 C 125.839 0.400 1 512 101 101 TRP N N 121.881 0.400 1 513 101 101 TRP NE1 N 129.521 0.400 1 514 102 102 GLU H H 8.450 0.020 1 515 102 102 GLU HG2 H 2.392 0.020 1 516 102 102 GLU HG3 H 2.392 0.020 1 517 102 102 GLU CA C 60.701 0.400 1 518 102 102 GLU CB C 28.655 0.400 1 519 102 102 GLU CG C 37.394 0.400 1 520 102 102 GLU N N 115.626 0.400 1 521 103 103 GLN H H 7.702 0.020 1 522 103 103 GLN CA C 59.358 0.400 1 523 103 103 GLN CB C 29.064 0.400 1 524 103 103 GLN N N 118.458 0.400 1 525 104 104 VAL H H 8.165 0.020 1 526 104 104 VAL HG1 H 0.918 0.020 2 527 104 104 VAL HG2 H 0.509 0.020 2 528 104 104 VAL CA C 67.278 0.400 1 529 104 104 VAL CB C 29.564 0.400 1 530 104 104 VAL CG1 C 24.493 0.400 1 531 104 104 VAL CG2 C 23.208 0.400 1 532 104 104 VAL N N 121.408 0.400 1 533 105 105 LEU H H 8.154 0.020 1 534 105 105 LEU HD1 H 0.794 0.020 2 535 105 105 LEU HD2 H 0.506 0.020 2 536 105 105 LEU CA C 58.015 0.400 1 537 105 105 LEU CB C 41.439 0.400 1 538 105 105 LEU CD1 C 25.882 0.400 1 539 105 105 LEU CD2 C 23.139 0.400 1 540 105 105 LEU N N 119.104 0.400 1 541 106 106 GLU H H 7.420 0.020 1 542 106 106 GLU HG2 H 2.316 0.020 1 543 106 106 GLU HG3 H 2.316 0.020 1 544 106 106 GLU CA C 59.248 0.400 1 545 106 106 GLU CB C 28.791 0.400 1 546 106 106 GLU CG C 36.156 0.400 1 547 106 106 GLU N N 117.867 0.400 1 548 107 107 ILE H H 7.936 0.020 1 549 107 107 ILE HD1 H 0.559 0.020 1 550 107 107 ILE CA C 65.552 0.400 1 551 107 107 ILE CB C 37.663 0.400 1 552 107 107 ILE CG2 C 17.521 0.400 1 553 107 107 ILE CD1 C 13.996 0.400 1 554 107 107 ILE N N 121.603 0.400 1 555 108 108 ALA H H 8.706 0.020 1 556 108 108 ALA HB H 1.261 0.020 1 557 108 108 ALA CA C 55.548 0.400 1 558 108 108 ALA CB C 16.995 0.400 1 559 108 108 ALA N N 121.872 0.400 1 560 109 109 LYS H H 7.964 0.020 1 561 109 109 LYS CA C 59.933 0.400 1 562 109 109 LYS CB C 32.203 0.400 1 563 109 109 LYS N N 114.641 0.400 1 564 110 110 GLN H H 7.589 0.020 1 565 110 110 GLN HG2 H 2.365 0.020 2 566 110 110 GLN HG3 H 2.603 0.020 2 567 110 110 GLN CA C 58.481 0.400 1 568 110 110 GLN CB C 28.382 0.400 1 569 110 110 GLN CG C 33.984 0.400 1 570 110 110 GLN N N 117.491 0.400 1 571 111 111 LYS H H 7.920 0.020 1 572 111 111 LYS CA C 55.235 0.400 1 573 111 111 LYS CB C 30.520 0.400 1 574 111 111 LYS N N 113.823 0.400 1 575 112 112 MET H H 7.422 0.020 1 576 112 112 MET CA C 59.988 0.400 1 577 112 112 MET CB C 30.065 0.400 1 578 112 112 MET N N 118.643 0.400 1 579 113 113 PRO CA C 66.309 0.400 1 580 114 114 ASP H H 8.323 0.020 1 581 114 114 ASP CA C 54.193 0.400 1 582 114 114 ASP CB C 42.440 0.400 1 583 114 114 ASP N N 113.693 0.400 1 584 115 115 LEU H H 7.784 0.020 1 585 115 115 LEU HD1 H 0.972 0.020 2 586 115 115 LEU CA C 53.383 0.400 1 587 115 115 LEU CB C 42.850 0.400 1 588 115 115 LEU N N 117.115 0.400 1 589 116 116 ASN H H 7.637 0.020 1 590 116 116 ASN CA C 52.110 0.400 1 591 116 116 ASN CB C 37.390 0.400 1 592 116 116 ASN N N 116.240 0.400 1 593 117 117 THR H H 6.759 0.020 1 594 117 117 THR HG2 H 0.972 0.020 1 595 117 117 THR CA C 58.810 0.400 1 596 117 117 THR CB C 69.147 0.400 1 597 117 117 THR CG2 C 19.246 0.400 1 598 117 117 THR N N 109.841 0.400 1 599 118 118 THR H H 8.167 0.020 1 600 118 118 THR HG2 H 1.092 0.020 1 601 118 118 THR CA C 61.303 0.400 1 602 118 118 THR CB C 69.193 0.400 1 603 118 118 THR CG2 C 21.474 0.400 1 604 118 118 THR N N 113.731 0.400 1 605 119 119 ASP H H 8.606 0.020 1 606 119 119 ASP CA C 53.481 0.400 1 607 119 119 ASP CB C 42.668 0.400 1 608 119 119 ASP N N 126.589 0.400 1 609 120 120 LEU H H 8.645 0.020 1 610 120 120 LEU HD1 H 0.937 0.020 2 611 120 120 LEU HD2 H 0.938 0.020 2 612 120 120 LEU CA C 58.316 0.400 1 613 120 120 LEU CB C 41.073 0.400 1 614 120 120 LEU CD1 C 25.761 0.400 1 615 120 120 LEU CD2 C 23.652 0.400 1 616 120 120 LEU N N 128.328 0.400 1 617 121 121 GLU H H 7.970 0.020 1 618 121 121 GLU HG2 H 2.392 0.020 1 619 121 121 GLU HG3 H 2.392 0.020 1 620 121 121 GLU CA C 60.087 0.400 1 621 121 121 GLU CB C 28.336 0.400 1 622 121 121 GLU CG C 37.466 0.400 1 623 121 121 GLU N N 116.383 0.400 1 624 122 122 ALA H H 7.826 0.020 1 625 122 122 ALA HB H 1.596 0.020 1 626 122 122 ALA CA C 55.192 0.400 1 627 122 122 ALA CB C 18.431 0.400 1 628 122 122 ALA N N 123.149 0.400 1 629 123 123 ALA H H 8.607 0.020 1 630 123 123 ALA HB H 1.627 0.020 1 631 123 123 ALA CA C 54.973 0.400 1 632 123 123 ALA CB C 18.918 0.400 1 633 123 123 ALA N N 121.168 0.400 1 634 124 124 ALA H H 8.289 0.020 1 635 124 124 ALA HB H 1.125 0.020 1 636 124 124 ALA CA C 55.109 0.400 1 637 124 124 ALA CB C 19.874 0.400 1 638 124 124 ALA N N 119.534 0.400 1 639 125 125 ARG H H 8.161 0.020 1 640 125 125 ARG CA C 61.359 0.400 1 641 125 125 ARG CB C 30.565 0.400 1 642 125 125 ARG N N 116.919 0.400 1 643 126 126 MET H H 7.758 0.020 1 644 126 126 MET CA C 61.331 0.400 1 645 126 126 MET CB C 33.705 0.400 1 646 126 126 MET N N 121.299 0.400 1 647 127 127 ILE H H 8.118 0.020 1 648 127 127 ILE HG2 H 0.855 0.020 1 649 127 127 ILE HD1 H 0.813 0.020 1 650 127 127 ILE CA C 62.060 0.400 1 651 127 127 ILE CG2 C 21.924 0.400 1 652 127 127 ILE CD1 C 7.704 0.400 1 653 127 127 ILE N N 120.522 0.400 1 654 128 128 ALA H H 9.137 0.020 1 655 128 128 ALA HB H 1.810 0.020 1 656 128 128 ALA CA C 55.274 0.400 1 657 128 128 ALA CB C 17.677 0.400 1 658 128 128 ALA N N 122.627 0.400 1 659 129 129 GLY H H 8.184 0.020 1 660 129 129 GLY CA C 47.518 0.400 1 661 129 129 GLY N N 110.112 0.400 1 662 130 130 SER H H 8.527 0.020 1 663 130 130 SER CA C 63.184 0.400 1 664 130 130 SER N N 122.776 0.400 1 665 131 131 ALA H H 8.846 0.020 1 666 131 131 ALA HB H 1.443 0.020 1 667 131 131 ALA CA C 56.398 0.400 1 668 131 131 ALA CB C 15.662 0.400 1 669 131 131 ALA N N 127.470 0.400 1 670 132 132 ARG H H 8.137 0.020 1 671 132 132 ARG CA C 59.796 0.400 1 672 132 132 ARG CB C 29.564 0.400 1 673 132 132 ARG N N 119.558 0.400 1 674 133 133 SER H H 7.528 0.020 1 675 133 133 SER CA C 61.249 0.400 1 676 133 133 SER CB C 64.461 0.400 1 677 133 133 SER N N 115.835 0.400 1 678 134 134 MET H H 7.242 0.020 1 679 134 134 MET CA C 54.370 0.400 1 680 134 134 MET CB C 36.116 0.400 1 681 134 134 MET N N 113.537 0.400 1 682 135 135 GLY H H 7.912 0.020 1 683 135 135 GLY CA C 46.518 0.400 1 684 135 135 GLY N N 106.308 0.400 1 685 136 136 VAL H H 7.799 0.020 1 686 136 136 VAL HG1 H 0.558 0.020 2 687 136 136 VAL CA C 61.194 0.400 1 688 136 136 VAL CB C 32.019 0.400 1 689 136 136 VAL CG1 C 22.561 0.400 1 690 136 136 VAL N N 120.185 0.400 1 691 137 137 GLU H H 8.351 0.020 1 692 137 137 GLU HG2 H 2.206 0.020 1 693 137 137 GLU HG3 H 2.206 0.020 1 694 137 137 GLU CA C 56.042 0.400 1 695 137 137 GLU CB C 31.154 0.400 1 696 137 137 GLU CG C 36.811 0.400 1 697 137 137 GLU N N 128.252 0.400 1 698 138 138 VAL H H 8.317 0.020 1 699 138 138 VAL HG1 H 0.920 0.020 2 700 138 138 VAL CA C 61.084 0.400 1 701 138 138 VAL CB C 32.158 0.400 1 702 138 138 VAL CG1 C 21.261 0.400 1 703 138 138 VAL N N 124.679 0.400 1 704 139 139 VAL H H 8.999 0.020 1 705 139 139 VAL HG1 H 0.870 0.020 2 706 139 139 VAL CA C 60.947 0.400 1 707 139 139 VAL CB C 33.477 0.400 1 708 139 139 VAL CG1 C 19.922 0.400 1 709 139 139 VAL N N 126.011 0.400 1 710 140 140 GLY H H 8.674 0.020 1 711 140 140 GLY CA C 45.243 0.400 1 712 140 140 GLY N N 111.840 0.400 1 713 141 141 ALA H H 7.937 0.020 1 714 141 141 ALA CA C 50.341 0.400 1 715 141 141 ALA CB C 17.187 0.400 1 716 141 141 ALA N N 123.010 0.400 1 717 142 142 PRO CA C 62.937 0.400 1 718 143 143 GLU H H 8.198 0.020 1 719 143 143 GLU HG2 H 2.174 0.020 1 720 143 143 GLU HG3 H 2.174 0.020 1 721 143 143 GLU CA C 56.042 0.400 1 722 143 143 GLU CB C 29.880 0.400 1 723 143 143 GLU CG C 36.229 0.400 1 724 143 143 GLU N N 121.239 0.400 1 725 144 144 VAL H H 8.103 0.020 1 726 144 144 VAL HG1 H 0.903 0.020 2 727 144 144 VAL CA C 62.208 0.400 1 728 144 144 VAL CB C 32.155 0.400 1 729 144 144 VAL CG1 C 20.720 0.400 1 730 144 144 VAL N N 121.791 0.400 1 731 145 145 LYS H H 8.254 0.020 1 732 145 145 LYS CA C 55.850 0.400 1 733 145 145 LYS CB C 32.658 0.400 1 734 145 145 LYS N N 125.089 0.400 1 735 146 146 ASP H H 8.244 0.020 1 736 146 146 ASP CA C 54.397 0.400 1 737 146 146 ASP CB C 40.802 0.400 1 738 146 146 ASP N N 121.860 0.400 1 739 147 147 ALA H H 7.694 0.020 1 740 147 147 ALA CA C 53.685 0.400 1 741 147 147 ALA CB C 19.916 0.400 1 742 147 147 ALA N N 128.856 0.400 1 stop_ save_