data_17526 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; EcNusB bound to BoxA RNA ; _BMRB_accession_number 17526 _BMRB_flat_file_name bmr17526.str _Entry_type original _Submission_date 2011-03-15 _Accession_date 2011-03-15 _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 Stagno Jason R. . 2 Altieri Amanda S. . 3 Bubunenko Mikhail . . 4 Tarasov Sergey G. . 5 Li Jess . . 6 Court Donald L. . 7 Byrd Andrew R. . 8 Ji Xinhua . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 572 "13C chemical shifts" 427 "15N chemical shifts" 135 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-03-08 update BMRB 'update entry citation' 2011-06-30 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 4737 'Transcriptional Antiterminator NusB' 15312 'NusB from Aquifex Aeolicus' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural basis for RNA recognition by NusB and NusE in the initiation of transcription antitermination.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21652641 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Stagno Jason R. . 2 Altieri Amanda S. . 3 Bubunenko Mikhail . . 4 Tarasov Sergey G. . 5 Li Jess . . 6 Court Donald L. . 7 Byrd 'R. Andrew' . . 8 Ji Xinhua . . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_name_full 'Nucleic acids research' _Journal_volume 39 _Journal_issue 17 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 7803 _Page_last 7815 _Year 2011 _Details . loop_ _Keyword 'NusB-NusE-RNA interaction' protein-RNA stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'NusB/BoxA RNA' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label NusB $NusB 'BoxA RNA' $BoxA stop_ _System_molecular_weight 19405 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'Transcriptional Antitermination' stop_ _Database_query_date . _Details 'NusB protein from E coli bound to BoxA RNA' save_ ######################## # Monomeric polymers # ######################## save_NusB _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common NusB _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 139 _Mol_residue_sequence ; MKPAARRRAREAAVQALYSW QLSQNDIADVEYQFLAEQDV KDVDVLYFRELLAGVATNTA YLDGLMKPYLSRLLEELGQV EKAVLRIALYELSKRSDVPY KVAINEAIELAKSFGAEDSH KFVNGVLDKAAPVIRPNKK ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 PRO 4 ALA 5 ALA 6 ARG 7 ARG 8 ARG 9 ALA 10 ARG 11 GLU 12 ALA 13 ALA 14 VAL 15 GLN 16 ALA 17 LEU 18 TYR 19 SER 20 TRP 21 GLN 22 LEU 23 SER 24 GLN 25 ASN 26 ASP 27 ILE 28 ALA 29 ASP 30 VAL 31 GLU 32 TYR 33 GLN 34 PHE 35 LEU 36 ALA 37 GLU 38 GLN 39 ASP 40 VAL 41 LYS 42 ASP 43 VAL 44 ASP 45 VAL 46 LEU 47 TYR 48 PHE 49 ARG 50 GLU 51 LEU 52 LEU 53 ALA 54 GLY 55 VAL 56 ALA 57 THR 58 ASN 59 THR 60 ALA 61 TYR 62 LEU 63 ASP 64 GLY 65 LEU 66 MET 67 LYS 68 PRO 69 TYR 70 LEU 71 SER 72 ARG 73 LEU 74 LEU 75 GLU 76 GLU 77 LEU 78 GLY 79 GLN 80 VAL 81 GLU 82 LYS 83 ALA 84 VAL 85 LEU 86 ARG 87 ILE 88 ALA 89 LEU 90 TYR 91 GLU 92 LEU 93 SER 94 LYS 95 ARG 96 SER 97 ASP 98 VAL 99 PRO 100 TYR 101 LYS 102 VAL 103 ALA 104 ILE 105 ASN 106 GLU 107 ALA 108 ILE 109 GLU 110 LEU 111 ALA 112 LYS 113 SER 114 PHE 115 GLY 116 ALA 117 GLU 118 ASP 119 SER 120 HIS 121 LYS 122 PHE 123 VAL 124 ASN 125 GLY 126 VAL 127 LEU 128 ASP 129 LYS 130 ALA 131 ALA 132 PRO 133 VAL 134 ILE 135 ARG 136 PRO 137 ASN 138 LYS 139 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-14 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 4737 NusB 100.00 139 99.28 99.28 3.52e-93 PDB 1EY1 "Solution Structure Of Escherichia Coli Nusb" 100.00 139 99.28 99.28 3.52e-93 PDB 3D3B "Structural And Functional Analysis Of The E. Coli Nusb-s10 Transcription Antitermination Complex." 100.00 141 98.56 99.28 2.60e-92 PDB 3D3C "Structural And Functional Analysis Of The E. Coli Nusb-S10 Transcription Antitermination Complex" 100.00 141 98.56 99.28 2.60e-92 PDB 3IMQ "Crystal Structure Of The Nusb101-S10(Delta Loop) Complex" 100.00 141 97.84 99.28 9.23e-92 DBJ BAB33892 "transcription termination factor NusB [Escherichia coli O157:H7 str. Sakai]" 100.00 139 99.28 99.28 3.52e-93 DBJ BAE76196 "transcription antitermination protein [Escherichia coli str. K12 substr. W3110]" 100.00 139 99.28 99.28 3.52e-93 DBJ BAG75962 "N utilization substance protein B [Escherichia coli SE11]" 100.00 139 99.28 99.28 3.52e-93 DBJ BAI23787 "transcription antitermination protein NusB [Escherichia coli O26:H11 str. 11368]" 100.00 139 99.28 99.28 3.52e-93 DBJ BAI29258 "transcription antitermination protein NusB [Escherichia coli O103:H2 str. 12009]" 100.00 139 99.28 99.28 3.52e-93 EMBL CAA25289 "unnamed protein product [Escherichia coli]" 100.00 139 99.28 99.28 3.52e-93 EMBL CAA45737 "nusB (ssyB) [Escherichia coli K-12]" 100.00 139 99.28 99.28 3.52e-93 EMBL CAC44764 "N utilisation substance protein B [Expression vector pNCO113-nusB/nusE]" 100.00 139 99.28 99.28 3.52e-93 EMBL CAP74950 "N utilization substance protein B [Escherichia coli LF82]" 100.00 139 99.28 99.28 3.52e-93 EMBL CAQ30885 "transcription antitermination protein NusB, subunit of NusB-NusE complex [Escherichia coli BL21(DE3)]" 100.00 139 99.28 99.28 3.52e-93 GB AAA24228 "nusB [Escherichia coli]" 100.00 139 99.28 99.28 3.52e-93 GB AAB40172 "N utilization substance protein B [Escherichia coli]" 100.00 139 99.28 99.28 3.52e-93 GB AAB95441 "NUSB [Shigella flexneri]" 72.66 101 98.02 98.02 1.92e-62 GB AAC73519 "transcription antitermination protein [Escherichia coli str. K-12 substr. MG1655]" 100.00 139 99.28 99.28 3.52e-93 GB AAG54765 "transcription termination; L factor [Escherichia coli O157:H7 str. EDL933]" 100.00 139 99.28 99.28 3.52e-93 PRF 2111328A "NusB protein" 100.00 139 99.28 99.28 3.52e-93 REF NP_308496 "transcription antitermination protein NusB [Escherichia coli O157:H7 str. Sakai]" 100.00 139 99.28 99.28 3.52e-93 REF NP_414950 "transcription antitermination protein [Escherichia coli str. K-12 substr. MG1655]" 100.00 139 99.28 99.28 3.52e-93 REF NP_706304 "transcription antitermination protein NusB [Shigella flexneri 2a str. 301]" 100.00 139 99.28 99.28 3.52e-93 REF WP_000801121 "MULTISPECIES: N utilization substance protein B [Escherichia]" 100.00 139 98.56 99.28 6.49e-93 REF WP_000801122 "N utilization substance protein B [Escherichia coli]" 100.00 139 98.56 98.56 6.09e-92 SP A7ZIG9 "RecName: Full=N utilization substance protein B homolog; Short=Protein NusB" 100.00 139 99.28 99.28 3.52e-93 SP A7ZX68 "RecName: Full=N utilization substance protein B homolog; Short=Protein NusB" 100.00 139 99.28 99.28 3.52e-93 SP B1J033 "RecName: Full=N utilization substance protein B homolog; Short=Protein NusB" 100.00 139 99.28 99.28 3.52e-93 SP B1LJG6 "RecName: Full=N utilization substance protein B homolog; Short=Protein NusB" 100.00 139 99.28 99.28 3.52e-93 SP B1XF04 "RecName: Full=N utilization substance protein B homolog; Short=Protein NusB" 100.00 139 99.28 99.28 3.52e-93 stop_ save_ save_BoxA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common BoxA _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count . _Mol_residue_sequence UGCUCUUUAACA loop_ _Residue_seq_code _Residue_label 1 U 2 G 3 C 4 U 5 C 6 U 7 U 8 U 9 A 10 A 11 C 12 A 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 $NusB 'E. coli' 562 Bacteria . Escherichia coli 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 $NusB '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 $NusB 250 uM '[U-100% 13C; U-100% 15N]' $BoxA 250 uM '[U-100% 13C; U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_CCPNMR _Saveframe_category software _Name CCPNMR _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_CBCA(CO)NH_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_C(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 273 . K pH 6.5 . pH pressure 1 . atm 'ionic strength' 0.02 . M stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water H 1 protons ppm 4.773 na direct . . . 1 water C 13 protons ppm 4.773 na indirect . . . 0.251449530 water N 15 protons ppm 4.773 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D CBCA(CO)NH' '3D HNCACB' '3D C(CO)NH' '3D H(CCO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name NusB _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 3 3 PRO CA C 62.848 0.000 1 2 3 3 PRO CB C 31.899 0.000 1 3 3 3 PRO CD C 52.083 0.000 1 4 4 4 ALA H H 8.522 0.010 1 5 4 4 ALA CA C 54.813 0.000 1 6 4 4 ALA N N 118.773 0.126 1 7 5 5 ALA HA H 4.523 0.000 1 8 5 5 ALA HB H 1.438 0.000 1 9 5 5 ALA CA C 54.018 0.000 1 10 5 5 ALA CB C 18.422 0.000 1 11 6 6 ARG H H 8.077 0.010 1 12 6 6 ARG CA C 58.701 0.000 1 13 6 6 ARG CB C 29.675 0.000 1 14 6 6 ARG N N 122.324 0.041 1 15 7 7 ARG HA H 4.315 0.000 1 16 7 7 ARG CA C 58.555 0.000 1 17 7 7 ARG CB C 26.712 0.000 1 18 7 7 ARG CD C 40.068 0.000 1 19 8 8 ARG H H 8.031 0.014 1 20 8 8 ARG HA H 4.233 0.000 1 21 8 8 ARG HB2 H 1.802 0.000 1 22 8 8 ARG HB3 H 1.802 0.000 1 23 8 8 ARG HD2 H 3.243 0.000 1 24 8 8 ARG HD3 H 3.243 0.000 1 25 8 8 ARG CA C 58.345 0.064 1 26 8 8 ARG CB C 29.903 0.053 1 27 8 8 ARG CD C 41.662 0.000 1 28 8 8 ARG N N 116.605 0.029 1 29 9 9 ALA H H 8.000 0.007 1 30 9 9 ALA HA H 4.078 0.000 1 31 9 9 ALA HB H 1.969 0.000 1 32 9 9 ALA CA C 55.558 0.065 1 33 9 9 ALA CB C 22.339 4.907 1 34 9 9 ALA N N 122.296 0.038 1 35 10 10 ARG H H 8.536 0.009 1 36 10 10 ARG CA C 60.705 0.043 1 37 10 10 ARG N N 118.164 0.058 1 38 11 11 GLU H H 8.773 0.010 1 39 11 11 GLU HA H 3.769 0.000 1 40 11 11 GLU HB2 H 2.059 0.000 1 41 11 11 GLU HG2 H 2.284 0.000 2 42 11 11 GLU HG3 H 2.672 0.000 2 43 11 11 GLU CA C 59.694 0.028 1 44 11 11 GLU CB C 30.121 0.000 1 45 11 11 GLU CG C 37.073 0.000 1 46 11 11 GLU N N 118.273 0.024 1 47 12 12 ALA H H 8.151 0.011 1 48 12 12 ALA HA H 4.037 0.001 1 49 12 12 ALA HB H 1.064 0.000 1 50 12 12 ALA CA C 54.494 0.066 1 51 12 12 ALA CB C 17.914 0.049 1 52 12 12 ALA N N 121.079 0.000 1 53 13 13 ALA H H 8.622 0.011 1 54 13 13 ALA HA H 3.940 0.000 1 55 13 13 ALA HB H 1.390 0.000 1 56 13 13 ALA CA C 55.618 0.058 1 57 13 13 ALA CB C 18.148 0.093 1 58 13 13 ALA N N 120.764 0.060 1 59 14 14 VAL H H 8.486 0.011 1 60 14 14 VAL HA H 3.234 0.002 1 61 14 14 VAL HB H 1.870 0.000 1 62 14 14 VAL HG1 H 0.457 0.001 2 63 14 14 VAL HG2 H 0.961 0.000 2 64 14 14 VAL CA C 67.201 0.016 1 65 14 14 VAL CB C 31.119 0.073 1 66 14 14 VAL CG1 C 21.137 0.019 2 67 14 14 VAL CG2 C 25.547 0.012 2 68 14 14 VAL N N 119.211 0.026 1 69 15 15 GLN H H 7.121 0.012 1 70 15 15 GLN HA H 3.763 0.000 1 71 15 15 GLN HB2 H 2.161 0.001 1 72 15 15 GLN HB3 H 2.161 0.001 1 73 15 15 GLN HG2 H 2.096 0.000 2 74 15 15 GLN HG3 H 2.235 0.000 2 75 15 15 GLN CA C 58.741 0.036 1 76 15 15 GLN CB C 29.073 0.059 1 77 15 15 GLN CG C 34.184 0.000 1 78 15 15 GLN N N 116.478 0.019 1 79 16 16 ALA H H 8.583 0.010 1 80 16 16 ALA HA H 3.740 0.000 1 81 16 16 ALA HB H 0.967 0.000 1 82 16 16 ALA CA C 54.607 0.055 1 83 16 16 ALA CB C 18.700 0.000 1 84 16 16 ALA N N 123.205 0.013 1 85 17 17 LEU H H 9.001 0.009 1 86 17 17 LEU HA H 4.174 0.000 1 87 17 17 LEU HB2 H 1.434 0.000 2 88 17 17 LEU HB3 H 2.034 0.000 2 89 17 17 LEU HG H 1.640 0.000 1 90 17 17 LEU HD1 H 0.686 0.000 2 91 17 17 LEU HD2 H 1.062 0.000 2 92 17 17 LEU CA C 57.827 0.042 1 93 17 17 LEU CB C 41.090 0.000 1 94 17 17 LEU CG C 27.143 0.000 1 95 17 17 LEU CD1 C 25.483 0.000 2 96 17 17 LEU CD2 C 22.855 0.000 2 97 17 17 LEU N N 118.663 0.018 1 98 18 18 TYR H H 8.571 0.012 1 99 18 18 TYR HA H 4.032 0.000 1 100 18 18 TYR HB2 H 2.923 0.000 2 101 18 18 TYR HB3 H 3.227 0.000 2 102 18 18 TYR HD1 H 6.878 0.000 3 103 18 18 TYR HD2 H 6.878 0.000 3 104 18 18 TYR HE1 H 6.733 0.000 3 105 18 18 TYR HE2 H 6.733 0.000 3 106 18 18 TYR CA C 61.471 0.036 1 107 18 18 TYR CB C 38.032 0.034 1 108 18 18 TYR CD1 C 132.6 0.000 3 109 18 18 TYR CD2 C 132.6 0.000 3 110 18 18 TYR CE1 C 117.722 0.000 3 111 18 18 TYR CE2 C 117.722 0.000 3 112 18 18 TYR N N 121.068 0.096 1 113 19 19 SER H H 7.596 0.013 1 114 19 19 SER HA H 4.043 0.000 1 115 19 19 SER HB2 H 2.916 0.000 1 116 19 19 SER N N 112.473 0.023 1 117 20 20 TRP H H 8.816 0.012 1 118 20 20 TRP HA H 4.323 0.000 1 119 20 20 TRP HB2 H 3.131 0.000 2 120 20 20 TRP HB3 H 3.587 0.000 2 121 20 20 TRP HD1 H 7.245 0.000 1 122 20 20 TRP HE3 H 7.527 0.000 1 123 20 20 TRP HZ2 H 7.504 0.000 1 124 20 20 TRP HZ3 H 6.789 0.000 1 125 20 20 TRP HH2 H 7.289 0.000 1 126 20 20 TRP CA C 60.482 0.062 1 127 20 20 TRP CB C 28.552 0.046 1 128 20 20 TRP CD1 C 127.337 0.000 1 129 20 20 TRP CE3 C 120.161 0.005 1 130 20 20 TRP CZ2 C 114.328 0.000 1 131 20 20 TRP CZ3 C 119.988 0.000 1 132 20 20 TRP CH2 C 123.998 0.000 1 133 20 20 TRP N N 123.538 0.015 1 134 21 21 GLN H H 9.054 0.008 1 135 21 21 GLN HA H 3.263 0.000 1 136 21 21 GLN HB2 H 2.241 0.000 1 137 21 21 GLN HB3 H 2.241 0.000 1 138 21 21 GLN HG2 H 2.684 0.000 2 139 21 21 GLN HG3 H 2.251 0.001 2 140 21 21 GLN CA C 58.233 0.052 1 141 21 21 GLN CB C 28.012 0.074 1 142 21 21 GLN CG C 35.868 0.000 1 143 21 21 GLN N N 119.981 0.009 1 144 22 22 LEU H H 7.331 0.014 1 145 22 22 LEU HA H 4.041 0.000 1 146 22 22 LEU HB2 H 1.420 0.000 2 147 22 22 LEU HB3 H 1.581 0.000 2 148 22 22 LEU HG H 1.428 0.000 1 149 22 22 LEU HD1 H 0.677 0.000 2 150 22 22 LEU HD2 H 0.533 0.000 2 151 22 22 LEU CA C 56.359 0.064 1 152 22 22 LEU CB C 42.266 0.050 1 153 22 22 LEU CG C 26.915 0.000 1 154 22 22 LEU CD1 C 24.318 0.000 2 155 22 22 LEU CD2 C 22.848 0.000 2 156 22 22 LEU N N 117.389 0.013 1 157 23 23 SER H H 8.121 0.007 1 158 23 23 SER HA H 4.266 0.000 1 159 23 23 SER HB2 H 3.815 0.000 1 160 23 23 SER HB3 H 3.815 0.000 1 161 23 23 SER CA C 59.401 0.035 1 162 23 23 SER CB C 64.113 0.002 1 163 23 23 SER N N 114.314 0.010 1 164 24 24 GLN H H 8.535 0.010 1 165 24 24 GLN HA H 3.558 0.000 1 166 24 24 GLN HB2 H 1.973 0.000 1 167 24 24 GLN HB3 H 1.973 0.000 1 168 24 24 GLN HG2 H 1.994 0.001 1 169 24 24 GLN HG3 H 1.994 0.001 1 170 24 24 GLN HE21 H 5.811 0.000 1 171 24 24 GLN HE22 H 7.005 0.000 1 172 24 24 GLN CA C 56.150 0.035 1 173 24 24 GLN CB C 26.622 0.066 1 174 24 24 GLN CG C 33.794 0.005 1 175 24 24 GLN N N 117.074 0.017 1 176 24 24 GLN NE2 N 112.509 0.001 1 177 25 25 ASN H H 7.922 0.010 1 178 25 25 ASN HA H 4.740 0.006 1 179 25 25 ASN HB2 H 2.803 0.000 1 180 25 25 ASN HB3 H 2.803 0.000 1 181 25 25 ASN HD21 H 6.979 0.000 1 182 25 25 ASN HD22 H 7.542 0.000 1 183 25 25 ASN CA C 52.263 0.122 1 184 25 25 ASN CB C 38.801 0.045 1 185 25 25 ASN N N 117.372 0.006 1 186 25 25 ASN ND2 N 111.786 0.005 1 187 26 26 ASP H H 8.518 0.018 1 188 26 26 ASP CA C 54.611 0.044 1 189 26 26 ASP CB C 41.967 0.012 1 190 26 26 ASP N N 119.580 0.123 1 191 27 27 ILE H H 8.753 0.004 1 192 27 27 ILE HA H 3.694 0.006 1 193 27 27 ILE HB H 1.011 0.000 1 194 27 27 ILE HG12 H 1.070 0.055 1 195 27 27 ILE HG2 H 0.572 0.004 1 196 27 27 ILE HD1 H -0.160 0.009 1 197 27 27 ILE CA C 60.802 0.065 1 198 27 27 ILE CB C 37.838 0.081 1 199 27 27 ILE CG1 C 22.180 0.000 1 200 27 27 ILE CG2 C 17.883 0.113 1 201 27 27 ILE CD1 C 12.200 0.008 1 202 27 27 ILE N N 127.063 0.126 1 203 28 28 ALA H H 8.537 0.010 1 204 28 28 ALA HA H 4.124 0.000 1 205 28 28 ALA HB H 1.322 0.000 1 206 28 28 ALA CA C 54.544 0.076 1 207 28 28 ALA CB C 18.335 0.083 1 208 28 28 ALA N N 124.626 0.025 1 209 29 29 ASP H H 7.471 0.012 1 210 29 29 ASP HA H 4.569 0.000 1 211 29 29 ASP HB2 H 2.852 0.000 1 212 29 29 ASP HB3 H 2.852 0.000 1 213 29 29 ASP CA C 56.644 0.114 1 214 29 29 ASP CB C 40.377 0.036 1 215 29 29 ASP N N 118.408 0.042 1 216 30 30 VAL H H 7.581 0.007 1 217 30 30 VAL HA H 3.824 0.003 1 218 30 30 VAL HB H 2.160 0.000 1 219 30 30 VAL HG1 H 0.800 0.000 2 220 30 30 VAL HG2 H 1.061 0.000 2 221 30 30 VAL CA C 65.599 0.018 1 222 30 30 VAL CB C 31.735 0.000 1 223 30 30 VAL CG1 C 21.834 0.000 1 224 30 30 VAL CG2 C 21.833 0.000 1 225 30 30 VAL N N 121.336 0.010 1 226 31 31 GLU H H 8.484 0.011 1 227 31 31 GLU HB2 H 2.006 0.000 1 228 31 31 GLU HB3 H 2.006 0.000 1 229 31 31 GLU HG2 H 2.225 0.000 1 230 31 31 GLU HG3 H 2.225 0.000 1 231 31 31 GLU CA C 60.126 0.085 1 232 31 31 GLU CB C 30.242 0.077 1 233 31 31 GLU CG C 36.429 0.000 1 234 31 31 GLU N N 120.170 0.025 1 235 32 32 TYR H H 7.816 0.012 1 236 32 32 TYR HA H 4.094 0.000 1 237 32 32 TYR HB2 H 3.104 0.000 2 238 32 32 TYR HB3 H 3.238 0.000 2 239 32 32 TYR HD1 H 7.077 0.000 3 240 32 32 TYR HD2 H 7.077 0.000 3 241 32 32 TYR HE1 H 6.750 0.000 3 242 32 32 TYR HE2 H 6.750 0.000 3 243 32 32 TYR CA C 61.299 0.059 1 244 32 32 TYR CB C 38.306 0.066 1 245 32 32 TYR CD1 C 133.037 0.000 3 246 32 32 TYR CD2 C 133.037 0.000 3 247 32 32 TYR CE1 C 117.975 0.000 3 248 32 32 TYR CE2 C 117.975 0.000 3 249 32 32 TYR N N 117.225 0.011 1 250 33 33 GLN H H 8.097 0.010 1 251 33 33 GLN HA H 3.904 0.002 1 252 33 33 GLN HB2 H 2.145 0.000 1 253 33 33 GLN HB3 H 2.145 0.000 1 254 33 33 GLN HG2 H 2.262 0.000 2 255 33 33 GLN HG3 H 2.445 0.000 2 256 33 33 GLN CA C 58.317 0.071 1 257 33 33 GLN CB C 28.234 0.033 1 258 33 33 GLN CG C 33.146 0.000 1 259 33 33 GLN N N 117.787 0.024 1 260 34 34 PHE H H 8.234 0.012 1 261 34 34 PHE HA H 4.045 0.000 1 262 34 34 PHE HB2 H 2.997 0.000 2 263 34 34 PHE HB3 H 3.154 0.000 2 264 34 34 PHE HD1 H 7.103 0.000 3 265 34 34 PHE HD2 H 7.103 0.000 3 266 34 34 PHE HE1 H 7.077 0.000 3 267 34 34 PHE HE2 H 7.077 0.000 3 268 34 34 PHE HZ H 7.047 0.000 1 269 34 34 PHE CA C 61.462 0.053 1 270 34 34 PHE CB C 39.783 0.000 1 271 34 34 PHE CD1 C 131.362 0.000 3 272 34 34 PHE CD2 C 131.362 0.000 3 273 34 34 PHE CE1 C 133.057 0.000 3 274 34 34 PHE CE2 C 133.057 0.000 3 275 34 34 PHE CZ C 129.706 0.000 1 276 34 34 PHE N N 118.439 0.027 1 277 35 35 LEU H H 8.203 0.009 1 278 35 35 LEU HA H 3.953 0.001 1 279 35 35 LEU HB2 H 1.774 0.000 2 280 35 35 LEU HB3 H 1.898 0.000 2 281 35 35 LEU HG H 1.444 0.000 1 282 35 35 LEU HD1 H 0.835 0.000 1 283 35 35 LEU HD2 H 0.835 0.000 1 284 35 35 LEU CA C 56.496 0.052 1 285 35 35 LEU CB C 41.522 0.079 1 286 35 35 LEU CG C 26.752 0.000 1 287 35 35 LEU CD1 C 22.885 0.006 2 288 35 35 LEU CD2 C 25.414 0.000 2 289 35 35 LEU N N 117.393 0.000 1 290 36 36 ALA H H 7.639 0.011 1 291 36 36 ALA HA H 4.063 0.000 1 292 36 36 ALA HB H 1.213 0.000 1 293 36 36 ALA CA C 53.652 0.060 1 294 36 36 ALA CB C 18.619 0.074 1 295 36 36 ALA N N 120.007 0.031 1 296 37 37 GLU H H 7.510 0.012 1 297 37 37 GLU HA H 4.264 0.000 1 298 37 37 GLU HB2 H 1.873 0.000 1 299 37 37 GLU HG2 H 2.106 0.000 2 300 37 37 GLU HG3 H 2.258 0.003 2 301 37 37 GLU CA C 56.306 0.083 1 302 37 37 GLU CB C 30.851 0.056 1 303 37 37 GLU CG C 35.853 0.000 1 304 37 37 GLU N N 114.623 0.027 1 305 38 38 GLN H H 7.574 0.011 1 306 38 38 GLN HA H 4.192 0.000 1 307 38 38 GLN HB2 H 1.476 0.000 1 308 38 38 GLN HB3 H 1.476 0.000 1 309 38 38 GLN HG2 H 2.053 0.000 1 310 38 38 GLN HG3 H 2.053 0.000 1 311 38 38 GLN HE21 H 6.494 0.000 1 312 38 38 GLN HE22 H 7.194 0.000 1 313 38 38 GLN CA C 54.320 0.043 1 314 38 38 GLN CB C 28.902 0.063 1 315 38 38 GLN CG C 32.368 0.000 1 316 38 38 GLN N N 117.304 0.017 1 317 38 38 GLN NE2 N 111.817 0.028 1 318 39 39 ASP H H 8.329 0.005 1 319 39 39 ASP HA H 4.582 0.000 1 320 39 39 ASP HB2 H 2.526 0.000 2 321 39 39 ASP HB3 H 2.763 0.000 2 322 39 39 ASP CA C 53.680 0.074 1 323 39 39 ASP CB C 40.818 0.000 1 324 39 39 ASP N N 121.150 0.004 1 325 40 40 VAL H H 8.201 0.006 1 326 40 40 VAL HA H 4.270 0.000 1 327 40 40 VAL HB H 2.280 0.000 1 328 40 40 VAL HG1 H 0.786 0.000 1 329 40 40 VAL HG2 H 0.786 0.000 1 330 40 40 VAL CA C 61.420 0.048 1 331 40 40 VAL CB C 31.280 0.082 1 332 40 40 VAL CG1 C 21.250 0.000 2 333 40 40 VAL CG2 C 18.468 0.000 2 334 40 40 VAL N N 119.512 0.017 1 335 41 41 LYS H H 8.152 0.010 1 336 41 41 LYS HA H 4.087 0.000 1 337 41 41 LYS HG2 H 1.406 0.000 1 338 41 41 LYS HG3 H 1.406 0.000 1 339 41 41 LYS HD2 H 1.665 0.000 1 340 41 41 LYS HD3 H 1.665 0.000 1 341 41 41 LYS HE2 H 2.967 0.000 1 342 41 41 LYS HE3 H 2.967 0.000 1 343 41 41 LYS CA C 58.489 0.060 1 344 41 41 LYS CB C 31.913 0.062 1 345 41 41 LYS CG C 24.179 0.000 1 346 41 41 LYS CD C 28.730 0.000 1 347 41 41 LYS CE C 41.512 0.000 1 348 41 41 LYS N N 122.333 0.004 1 349 42 42 ASP H H 8.303 0.009 1 350 42 42 ASP HA H 4.623 0.000 1 351 42 42 ASP HB2 H 2.654 0.000 1 352 42 42 ASP HB3 H 2.654 0.000 1 353 42 42 ASP CA C 53.569 0.000 1 354 42 42 ASP CB C 41.001 0.068 1 355 42 42 ASP N N 117.293 0.020 1 356 43 43 VAL H H 7.475 0.013 1 357 43 43 VAL CA C 61.218 0.048 1 358 43 43 VAL CB C 34.166 0.063 1 359 43 43 VAL CG1 C 23.242 0.000 2 360 43 43 VAL CG2 C 20.379 0.000 2 361 43 43 VAL N N 118.161 0.089 1 362 44 44 ASP H H 7.023 0.012 1 363 44 44 ASP CA C 52.356 0.019 1 364 44 44 ASP CB C 39.189 0.034 1 365 44 44 ASP N N 123.226 0.022 1 366 45 45 VAL H H 8.024 0.003 1 367 45 45 VAL HA H 3.550 0.003 1 368 45 45 VAL HB H 2.096 0.000 1 369 45 45 VAL HG1 H 1.025 0.000 1 370 45 45 VAL HG2 H 1.025 0.000 1 371 45 45 VAL CA C 66.612 0.035 1 372 45 45 VAL CB C 31.794 0.074 1 373 45 45 VAL CG1 C 21.762 0.000 1 374 45 45 VAL CG2 C 21.767 0.000 2 375 45 45 VAL N N 128.645 0.000 1 376 46 46 LEU H H 8.074 0.011 1 377 46 46 LEU HA H 4.056 0.000 1 378 46 46 LEU HB2 H 1.713 0.000 1 379 46 46 LEU HB3 H 1.713 0.000 1 380 46 46 LEU HD1 H 1.691 0.000 1 381 46 46 LEU CA C 58.162 0.047 1 382 46 46 LEU CB C 40.976 0.102 1 383 46 46 LEU CG C 25.549 0.000 1 384 46 46 LEU CD1 C 23.917 0.000 2 385 46 46 LEU CD2 C 20.817 0.000 2 386 46 46 LEU N N 120.282 0.012 1 387 47 47 TYR H H 7.812 0.015 1 388 47 47 TYR HB2 H 2.538 0.001 2 389 47 47 TYR HB3 H 2.817 0.000 2 390 47 47 TYR HD1 H 6.816 0.000 3 391 47 47 TYR HD2 H 6.816 0.000 3 392 47 47 TYR HE1 H 6.512 0.000 3 393 47 47 TYR HE2 H 6.512 0.000 3 394 47 47 TYR CA C 61.919 0.048 1 395 47 47 TYR CB C 38.807 0.020 1 396 47 47 TYR CD1 C 131.414 0.000 3 397 47 47 TYR CD2 C 131.414 0.000 3 398 47 47 TYR CE1 C 116.943 0.000 3 399 47 47 TYR CE2 C 116.943 0.000 3 400 47 47 TYR N N 121.669 0.063 1 401 48 48 PHE H H 8.290 0.009 1 402 48 48 PHE HA H 3.919 0.000 1 403 48 48 PHE HB2 H 3.020 0.048 2 404 48 48 PHE HB3 H 3.191 0.083 2 405 48 48 PHE HD1 H 7.172 0.000 3 406 48 48 PHE HD2 H 7.172 0.000 3 407 48 48 PHE HE1 H 6.734 0.000 3 408 48 48 PHE HE2 H 6.734 0.000 3 409 48 48 PHE HZ H 7.137 0.000 1 410 48 48 PHE CA C 60.979 0.030 1 411 48 48 PHE CB C 38.502 0.000 1 412 48 48 PHE CD1 C 131.892 0.000 3 413 48 48 PHE CD2 C 131.892 0.000 3 414 48 48 PHE CE1 C 129.909 0.000 3 415 48 48 PHE CE2 C 129.909 0.000 3 416 48 48 PHE CZ C 131.138 0.000 1 417 48 48 PHE N N 117.561 0.022 1 418 49 49 ARG H H 8.336 0.009 1 419 49 49 ARG HA H 4.578 0.001 1 420 49 49 ARG HB2 H 1.490 0.000 2 421 49 49 ARG HB3 H 1.833 0.000 2 422 49 49 ARG HD2 H 3.103 0.000 1 423 49 49 ARG HD3 H 3.103 0.000 1 424 49 49 ARG CA C 59.959 0.031 1 425 49 49 ARG CB C 30.049 0.065 1 426 49 49 ARG CG C 28.101 0.000 1 427 49 49 ARG CD C 43.565 0.000 1 428 49 49 ARG N N 117.181 0.058 1 429 50 50 GLU H H 7.892 0.013 1 430 50 50 GLU HA H 3.746 0.000 1 431 50 50 GLU HB2 H 1.986 0.000 1 432 50 50 GLU HG2 H 2.394 0.000 2 433 50 50 GLU HG3 H 2.011 0.000 2 434 50 50 GLU CA C 58.918 0.028 1 435 50 50 GLU CB C 28.604 0.064 1 436 50 50 GLU CG C 36.029 0.000 1 437 50 50 GLU N N 119.954 0.011 1 438 51 51 LEU H H 8.198 0.010 1 439 51 51 LEU HA H 3.249 0.003 1 440 51 51 LEU HB2 H 1.202 0.006 2 441 51 51 LEU HB3 H 0.704 0.017 2 442 51 51 LEU HG H 1.599 0.000 1 443 51 51 LEU HD1 H 0.646 0.003 1 444 51 51 LEU HD2 H 0.643 0.000 1 445 51 51 LEU CA C 57.167 0.047 1 446 51 51 LEU CB C 42.760 0.066 1 447 51 51 LEU N N 120.166 0.014 1 448 52 52 LEU H H 7.521 0.012 1 449 52 52 LEU HA H 3.295 0.000 1 450 52 52 LEU HG H 0.956 0.000 1 451 52 52 LEU HD1 H 0.238 0.020 2 452 52 52 LEU HD2 H 0.970 0.000 2 453 52 52 LEU CA C 58.190 0.034 1 454 52 52 LEU CB C 41.046 0.052 1 455 52 52 LEU CG C 26.502 0.000 1 456 52 52 LEU CD1 C 22.673 0.135 2 457 52 52 LEU CD2 C 23.783 0.000 1 458 52 52 LEU N N 116.970 0.016 1 459 53 53 ALA H H 7.225 0.015 1 460 53 53 ALA HA H 3.634 0.000 1 461 53 53 ALA HB H 1.164 0.000 1 462 53 53 ALA CA C 54.281 0.053 1 463 53 53 ALA CB C 17.918 0.080 1 464 53 53 ALA N N 116.899 0.024 1 465 54 54 GLY H H 8.171 0.013 1 466 54 54 GLY HA2 H 2.932 0.000 2 467 54 54 GLY HA3 H 3.303 0.000 2 468 54 54 GLY CA C 46.613 0.043 1 469 54 54 GLY N N 108.462 0.018 1 470 55 55 VAL H H 7.870 0.018 1 471 55 55 VAL HG1 H 1.406 0.000 2 472 55 55 VAL HG2 H 1.608 0.000 2 473 55 55 VAL CA C 65.700 0.038 1 474 55 55 VAL CB C 30.976 0.072 1 475 55 55 VAL CG1 C 22.155 0.000 2 476 55 55 VAL CG2 C 23.312 0.000 2 477 55 55 VAL N N 119.944 0.031 1 478 56 56 ALA H H 7.677 0.013 1 479 56 56 ALA HA H 3.697 0.000 1 480 56 56 ALA HB H 0.597 0.000 1 481 56 56 ALA CA C 54.944 0.030 1 482 56 56 ALA CB C 15.765 3.511 1 483 56 56 ALA N N 118.407 0.018 1 484 57 57 THR H H 7.580 0.011 1 485 57 57 THR HA H 4.354 0.025 1 486 57 57 THR HB H 4.206 0.041 1 487 57 57 THR HG2 H 1.208 0.008 1 488 57 57 THR CA C 62.839 0.132 1 489 57 57 THR CB C 69.617 0.015 1 490 57 57 THR CG2 C 21.097 0.117 1 491 57 57 THR N N 106.209 0.023 1 492 58 58 ASN H H 7.395 0.014 1 493 58 58 ASN HA H 5.470 0.003 1 494 58 58 ASN HB2 H 2.811 0.000 2 495 58 58 ASN HB3 H 3.169 0.000 2 496 58 58 ASN HD21 H 7.178 0.000 1 497 58 58 ASN HD22 H 8.781 0.000 1 498 58 58 ASN CA C 53.136 0.069 1 499 58 58 ASN CB C 40.161 0.044 1 500 58 58 ASN N N 118.392 0.013 1 501 58 58 ASN ND2 N 117.216 0.034 1 502 59 59 THR H H 7.711 0.012 1 503 59 59 THR HA H 3.651 0.002 1 504 59 59 THR HB H 4.115 0.001 1 505 59 59 THR HG2 H 1.453 0.000 1 506 59 59 THR CA C 67.971 0.000 1 507 59 59 THR CB C 68.297 0.077 1 508 59 59 THR CG2 C 23.717 0.000 1 509 59 59 THR N N 113.633 0.018 1 510 60 60 ALA H H 8.391 0.009 1 511 60 60 ALA HA H 4.191 0.011 1 512 60 60 ALA HB H 1.440 0.000 1 513 60 60 ALA CA C 55.364 0.049 1 514 60 60 ALA CB C 17.465 0.073 1 515 60 60 ALA N N 121.788 0.004 1 516 61 61 TYR H H 8.119 0.008 1 517 61 61 TYR HA H 3.294 0.000 1 518 61 61 TYR HD1 H 6.986 0.000 3 519 61 61 TYR HD2 H 6.986 0.000 3 520 61 61 TYR HE1 H 6.781 0.000 3 521 61 61 TYR HE2 H 6.781 0.000 3 522 61 61 TYR CA C 60.034 0.036 1 523 61 61 TYR CB C 38.465 0.088 1 524 61 61 TYR CD1 C 132.720 0.000 3 525 61 61 TYR CD2 C 132.720 0.000 3 526 61 61 TYR CE1 C 118.150 0.000 3 527 61 61 TYR CE2 C 118.150 0.000 3 528 61 61 TYR N N 120.845 0.051 1 529 62 62 LEU H H 8.263 0.012 1 530 62 62 LEU HA H 3.708 0.000 1 531 62 62 LEU HB2 H 1.935 0.000 1 532 62 62 LEU HB3 H 1.935 0.000 1 533 62 62 LEU HG H 1.920 0.000 1 534 62 62 LEU HD1 H 0.893 0.000 2 535 62 62 LEU HD2 H 1.134 0.000 2 536 62 62 LEU CA C 57.516 0.040 1 537 62 62 LEU CB C 41.409 0.036 1 538 62 62 LEU CG C 26.243 0.000 1 539 62 62 LEU CD1 C 27.810 0.000 2 540 62 62 LEU CD2 C 20.655 0.000 2 541 62 62 LEU N N 118.982 0.036 1 542 63 63 ASP H H 8.787 0.012 1 543 63 63 ASP HA H 4.258 0.000 1 544 63 63 ASP HB2 H 2.436 0.003 2 545 63 63 ASP HB3 H 2.656 0.000 2 546 63 63 ASP CA C 56.869 0.081 1 547 63 63 ASP CB C 39.157 0.091 1 548 63 63 ASP N N 119.939 0.018 1 549 64 64 GLY H H 7.913 0.011 1 550 64 64 GLY HA2 H 3.719 0.000 2 551 64 64 GLY HA3 H 3.908 0.000 2 552 64 64 GLY CA C 46.536 0.046 1 553 64 64 GLY N N 106.129 0.014 1 554 65 65 LEU H H 7.507 0.011 1 555 65 65 LEU HA H 4.092 0.000 1 556 65 65 LEU HB2 H 2.152 0.000 2 557 65 65 LEU HB3 H 1.225 0.000 2 558 65 65 LEU HG H 1.936 0.000 1 559 65 65 LEU HD1 H 0.635 0.000 1 560 65 65 LEU HD2 H 0.636 0.002 1 561 65 65 LEU CA C 56.465 0.040 1 562 65 65 LEU CB C 42.750 0.039 1 563 65 65 LEU CD1 C 25.361 0.000 2 564 65 65 LEU CD2 C 21.312 0.000 2 565 65 65 LEU N N 119.426 0.015 1 566 66 66 MET H H 7.139 0.012 1 567 66 66 MET HA H 4.691 0.000 1 568 66 66 MET HB2 H 1.872 0.000 1 569 66 66 MET HB3 H 1.872 0.000 1 570 66 66 MET HG2 H 2.650 0.000 1 571 66 66 MET HG3 H 2.650 0.000 1 572 66 66 MET CA C 55.645 0.165 1 573 66 66 MET CB C 33.805 0.051 1 574 66 66 MET CG C 30.693 0.000 1 575 66 66 MET N N 108.360 0.027 1 576 67 67 LYS H H 7.855 0.011 1 577 67 67 LYS CA C 61.716 0.000 1 578 67 67 LYS CB C 30.702 0.000 1 579 67 67 LYS N N 122.555 0.011 1 580 68 68 PRO HA H 4.194 0.002 1 581 68 68 PRO CA C 64.614 0.001 1 582 68 68 PRO CB C 30.443 0.000 1 583 68 68 PRO CD C 50.574 0.000 1 584 68 68 PRO N N 122.486 0.000 1 585 69 69 TYR H H 7.512 0.011 1 586 69 69 TYR HA H 4.719 0.000 1 587 69 69 TYR HB2 H 2.481 0.000 2 588 69 69 TYR HB3 H 3.579 0.002 2 589 69 69 TYR HD1 H 7.022 0.000 3 590 69 69 TYR HD2 H 7.022 0.000 3 591 69 69 TYR HE1 H 6.822 0.000 3 592 69 69 TYR HE2 H 6.822 0.000 3 593 69 69 TYR CA C 56.394 0.126 1 594 69 69 TYR CB C 39.216 0.047 1 595 69 69 TYR CD1 C 132.611 0.000 3 596 69 69 TYR CD2 C 132.611 0.000 3 597 69 69 TYR CE1 C 117.954 0.000 3 598 69 69 TYR CE2 C 117.954 0.000 3 599 69 69 TYR N N 113.294 0.015 1 600 70 70 LEU H H 7.177 0.011 1 601 70 70 LEU HA H 4.556 0.000 1 602 70 70 LEU HG H 2.023 0.000 1 603 70 70 LEU HD1 H 1.013 0.000 1 604 70 70 LEU HD2 H 1.013 0.000 1 605 70 70 LEU CA C 55.023 0.000 1 606 70 70 LEU CB C 44.399 0.107 1 607 70 70 LEU CD1 C 24.329 0.000 2 608 70 70 LEU CD2 C 25.906 0.000 2 609 70 70 LEU N N 119.392 0.028 1 610 71 71 SER H H 8.195 0.011 1 611 71 71 SER HA H 4.442 0.000 1 612 71 71 SER HB2 H 4.126 0.023 1 613 71 71 SER CA C 58.096 0.000 1 614 71 71 SER N N 116.119 0.101 1 615 72 72 ARG H H 7.264 0.012 1 616 72 72 ARG HA H 4.609 0.000 1 617 72 72 ARG HD2 H 2.520 0.000 2 618 72 72 ARG HD3 H 2.733 0.011 2 619 72 72 ARG CA C 53.499 0.133 1 620 72 72 ARG CB C 32.405 0.108 1 621 72 72 ARG CG C 25.100 0.000 1 622 72 72 ARG CD C 43.089 0.038 1 623 72 72 ARG N N 118.320 0.030 1 624 73 73 LEU H H 8.287 0.008 1 625 73 73 LEU HA H 4.226 0.000 1 626 73 73 LEU HB2 H 1.359 0.000 2 627 73 73 LEU HB3 H 1.674 0.000 2 628 73 73 LEU HG H 1.235 0.000 1 629 73 73 LEU HD1 H 0.857 0.000 1 630 73 73 LEU HD2 H 0.857 0.000 1 631 73 73 LEU CA C 54.739 0.055 1 632 73 73 LEU CB C 41.915 0.031 1 633 73 73 LEU CD1 C 22.191 0.000 2 634 73 73 LEU CD2 C 25.221 0.000 2 635 73 73 LEU N N 118.631 0.018 1 636 74 74 LEU H H 9.027 0.017 1 637 74 74 LEU HA H 3.796 0.000 1 638 74 74 LEU HB2 H 1.592 0.000 1 639 74 74 LEU HB3 H 1.592 0.000 1 640 74 74 LEU HD1 H 0.878 0.002 1 641 74 74 LEU HD2 H 0.878 0.002 1 642 74 74 LEU CA C 58.279 0.087 1 643 74 74 LEU CB C 42.040 0.091 1 644 74 74 LEU CG C 27.033 0.000 1 645 74 74 LEU CD1 C 24.743 0.006 1 646 74 74 LEU CD2 C 24.743 0.006 1 647 74 74 LEU N N 124.062 0.019 1 648 75 75 GLU H H 9.059 0.013 1 649 75 75 GLU HA H 4.056 0.000 1 650 75 75 GLU HB2 H 2.010 0.000 1 651 75 75 GLU HB3 H 2.010 0.000 1 652 75 75 GLU HG2 H 2.224 0.000 1 653 75 75 GLU HG3 H 2.224 0.000 1 654 75 75 GLU CA C 58.344 0.000 1 655 75 75 GLU CB C 28.711 0.054 1 656 75 75 GLU CG C 36.300 0.000 1 657 75 75 GLU N N 114.789 0.018 1 658 76 76 GLU H H 7.825 0.014 1 659 76 76 GLU HA H 4.234 0.000 1 660 76 76 GLU HB2 H 2.077 0.000 1 661 76 76 GLU HB3 H 2.077 0.000 1 662 76 76 GLU HG2 H 2.126 0.000 1 663 76 76 GLU HG3 H 2.126 0.000 1 664 76 76 GLU CA C 55.246 0.033 1 665 76 76 GLU CB C 30.180 0.000 1 666 76 76 GLU CG C 36.591 0.000 1 667 76 76 GLU N N 117.312 0.022 1 668 77 77 LEU H H 7.252 0.017 1 669 77 77 LEU HB2 H 1.628 0.007 2 670 77 77 LEU HB3 H 2.028 0.000 2 671 77 77 LEU HD1 H 0.796 0.000 2 672 77 77 LEU HD2 H 0.861 0.000 2 673 77 77 LEU CA C 54.978 0.037 1 674 77 77 LEU CB C 42.941 0.070 1 675 77 77 LEU CG C 24.904 0.000 1 676 77 77 LEU CD1 C 26.287 0.000 1 677 77 77 LEU CD2 C 26.287 0.000 1 678 77 77 LEU N N 122.035 0.052 1 679 78 78 GLY H H 8.666 0.007 1 680 78 78 GLY HA2 H 3.987 0.010 2 681 78 78 GLY HA3 H 4.230 0.004 2 682 78 78 GLY CA C 45.179 0.070 1 683 78 78 GLY N N 110.680 0.010 1 684 79 79 GLN H H 8.605 0.008 1 685 79 79 GLN HA H 3.945 0.000 1 686 79 79 GLN HB2 H 2.031 0.000 1 687 79 79 GLN HB3 H 2.214 0.000 1 688 79 79 GLN HG2 H 2.656 0.000 2 689 79 79 GLN HG3 H 2.381 0.000 2 690 79 79 GLN HE21 H 6.663 0.000 1 691 79 79 GLN HE22 H 7.092 0.000 1 692 79 79 GLN CA C 58.617 0.041 1 693 79 79 GLN CB C 28.246 0.046 1 694 79 79 GLN CG C 31.748 0.000 1 695 79 79 GLN N N 120.327 0.022 1 696 79 79 GLN NE2 N 107.368 0.016 1 697 80 80 VAL H H 8.816 0.011 1 698 80 80 VAL HA H 3.449 0.006 1 699 80 80 VAL HG1 H 0.971 0.000 1 700 80 80 VAL HG2 H 0.971 0.000 1 701 80 80 VAL CA C 67.214 0.056 1 702 80 80 VAL CB C 31.055 0.088 1 703 80 80 VAL N N 119.561 0.019 1 704 81 81 GLU H H 9.470 0.012 1 705 81 81 GLU HA H 3.467 0.021 1 706 81 81 GLU CA C 62.975 0.108 1 707 81 81 GLU CB C 27.899 0.000 1 708 81 81 GLU CG C 31.862 0.000 1 709 81 81 GLU N N 120.891 0.039 1 710 82 82 LYS H H 8.433 0.011 1 711 82 82 LYS HB2 H 1.659 0.000 2 712 82 82 LYS HB3 H 1.932 0.000 2 713 82 82 LYS HG2 H 1.294 0.000 1 714 82 82 LYS HG3 H 1.294 0.000 1 715 82 82 LYS HD2 H 1.695 0.000 1 716 82 82 LYS HD3 H 1.695 0.000 1 717 82 82 LYS CA C 60.674 0.071 1 718 82 82 LYS CB C 32.381 0.038 1 719 82 82 LYS CG C 25.537 0.960 1 720 82 82 LYS CE C 41.084 0.000 1 721 82 82 LYS N N 117.495 0.014 1 722 83 83 ALA H H 7.825 0.014 1 723 83 83 ALA HA H 4.061 0.000 1 724 83 83 ALA HB H 1.579 0.000 1 725 83 83 ALA CA C 56.045 0.060 1 726 83 83 ALA CB C 18.307 0.101 1 727 83 83 ALA N N 121.767 0.067 1 728 84 84 VAL H H 8.626 0.011 1 729 84 84 VAL HB H 2.105 0.000 1 730 84 84 VAL HG1 H 1.080 0.000 1 731 84 84 VAL HG2 H 1.080 0.000 1 732 84 84 VAL CA C 66.645 0.032 1 733 84 84 VAL CB C 32.048 0.003 1 734 84 84 VAL CG1 C 23.474 0.000 1 735 84 84 VAL CG2 C 23.474 0.000 1 736 84 84 VAL N N 116.559 0.007 1 737 85 85 LEU H H 8.405 0.009 1 738 85 85 LEU HA H 3.837 0.000 1 739 85 85 LEU HD1 H 0.918 0.000 1 740 85 85 LEU HD2 H 0.920 0.001 1 741 85 85 LEU CA C 58.596 0.047 1 742 85 85 LEU CB C 41.581 0.000 1 743 85 85 LEU CG C 25.499 0.000 1 744 85 85 LEU CD1 C 24.668 0.000 2 745 85 85 LEU CD2 C 24.079 0.038 2 746 85 85 LEU N N 118.636 0.039 1 747 86 86 ARG H H 8.495 0.009 1 748 86 86 ARG CA C 61.217 0.035 1 749 86 86 ARG CB C 30.607 0.050 1 750 86 86 ARG CG C 25.532 0.000 1 751 86 86 ARG CD C 40.801 0.000 1 752 86 86 ARG N N 117.179 0.016 1 753 87 87 ILE H H 8.277 0.015 1 754 87 87 ILE HA H 3.307 0.004 1 755 87 87 ILE HD1 H 0.820 0.000 1 756 87 87 ILE CA C 66.062 0.037 1 757 87 87 ILE CB C 38.278 0.103 1 758 87 87 ILE CG2 C 16.920 0.249 1 759 87 87 ILE CD1 C 17.169 0.000 1 760 87 87 ILE N N 119.088 0.055 1 761 88 88 ALA H H 7.915 0.016 1 762 88 88 ALA HB H 1.309 0.000 1 763 88 88 ALA CA C 54.643 0.057 1 764 88 88 ALA CB C 20.055 0.088 1 765 88 88 ALA N N 120.797 0.020 1 766 89 89 LEU H H 8.742 0.011 1 767 89 89 LEU HA H 3.881 0.000 1 768 89 89 LEU HB2 H 1.845 0.000 1 769 89 89 LEU HD1 H 0.856 0.000 2 770 89 89 LEU HD2 H 0.545 0.000 2 771 89 89 LEU CA C 57.451 0.000 1 772 89 89 LEU CB C 41.487 0.000 1 773 89 89 LEU CD1 C 22.504 0.000 2 774 89 89 LEU CD2 C 26.263 0.000 2 775 89 89 LEU N N 116.494 0.012 1 776 90 90 TYR H H 8.806 0.010 1 777 90 90 TYR HB2 H 2.933 0.000 2 778 90 90 TYR HB3 H 3.239 0.000 2 779 90 90 TYR HD1 H 6.627 0.000 3 780 90 90 TYR HD2 H 6.627 0.000 3 781 90 90 TYR HE1 H 6.386 0.000 3 782 90 90 TYR HE2 H 6.386 0.000 3 783 90 90 TYR CA C 62.719 0.058 1 784 90 90 TYR CB C 37.452 0.078 1 785 90 90 TYR CD1 C 131.991 0.000 3 786 90 90 TYR CD2 C 131.991 0.000 3 787 90 90 TYR CE1 C 117.385 0.000 3 788 90 90 TYR CE2 C 117.385 0.000 3 789 90 90 TYR N N 125.763 0.009 1 790 91 91 GLU H H 8.699 0.011 1 791 91 91 GLU HA H 3.464 0.000 1 792 91 91 GLU CA C 60.373 0.030 1 793 91 91 GLU CB C 30.027 0.097 1 794 91 91 GLU CG C 37.581 0.000 1 795 91 91 GLU N N 120.300 0.018 1 796 92 92 LEU H H 8.825 0.010 1 797 92 92 LEU HB2 H 1.567 0.039 1 798 92 92 LEU HG H 1.847 0.000 1 799 92 92 LEU HD1 H 0.558 0.000 1 800 92 92 LEU CA C 57.038 0.061 1 801 92 92 LEU CB C 42.896 0.070 1 802 92 92 LEU CG C 27.222 0.000 1 803 92 92 LEU CD1 C 25.361 0.000 2 804 92 92 LEU CD2 C 23.295 0.000 2 805 92 92 LEU N N 115.769 0.029 1 806 93 93 SER H H 8.223 0.011 1 807 93 93 SER HA H 4.090 0.016 1 808 93 93 SER HB2 H 3.710 0.000 2 809 93 93 SER HB3 H 4.075 0.007 2 810 93 93 SER CA C 60.591 0.119 1 811 93 93 SER CB C 64.348 0.038 1 812 93 93 SER N N 112.827 0.025 1 813 94 94 LYS H H 8.383 0.009 1 814 94 94 LYS HA H 4.533 0.000 1 815 94 94 LYS HB2 H 0.876 0.001 2 816 94 94 LYS HB3 H 1.485 0.028 2 817 94 94 LYS HG2 H 1.109 0.019 2 818 94 94 LYS HG3 H 1.314 0.000 2 819 94 94 LYS HE2 H 2.666 0.000 1 820 94 94 LYS HE3 H 2.666 0.000 1 821 94 94 LYS CA C 55.165 0.054 1 822 94 94 LYS CB C 33.383 0.065 1 823 94 94 LYS CG C 23.911 0.000 1 824 94 94 LYS CD C 28.031 0.000 1 825 94 94 LYS CE C 41.917 0.000 1 826 94 94 LYS N N 118.226 0.021 1 827 95 95 ARG H H 7.730 0.011 1 828 95 95 ARG HA H 4.875 0.004 1 829 95 95 ARG HB2 H 2.129 0.000 1 830 95 95 ARG HD2 H 3.222 0.000 2 831 95 95 ARG HD3 H 3.433 0.000 2 832 95 95 ARG CA C 50.982 0.071 1 833 95 95 ARG CB C 27.875 0.050 1 834 95 95 ARG CG C 25.136 0.000 1 835 95 95 ARG CD C 40.515 0.000 1 836 95 95 ARG N N 119.737 0.018 1 837 96 96 SER H H 8.466 0.008 1 838 96 96 SER HA H 4.029 0.000 1 839 96 96 SER HB2 H 3.839 0.018 1 840 96 96 SER HB3 H 3.857 0.000 1 841 96 96 SER CA C 60.612 0.037 1 842 96 96 SER CB C 62.582 0.056 1 843 96 96 SER N N 118.744 0.019 1 844 97 97 ASP H H 9.411 0.011 1 845 97 97 ASP HA H 4.356 0.000 1 846 97 97 ASP HB2 H 2.649 0.000 2 847 97 97 ASP HB3 H 2.758 0.000 2 848 97 97 ASP CA C 53.798 0.052 1 849 97 97 ASP CB C 39.319 0.059 1 850 97 97 ASP N N 116.585 0.022 1 851 98 98 VAL H H 8.056 0.010 1 852 98 98 VAL CA C 60.416 0.000 1 853 98 98 VAL CB C 32.819 0.000 1 854 98 98 VAL N N 125.788 0.009 1 855 99 99 PRO HG2 H 1.484 0.000 1 856 99 99 PRO HG3 H 1.484 0.000 1 857 99 99 PRO CA C 62.494 0.000 1 858 99 99 PRO CB C 33.499 0.000 1 859 99 99 PRO CG C 29.368 0.000 1 860 100 100 TYR H H 8.251 0.012 1 861 100 100 TYR HB2 H 2.763 0.000 1 862 100 100 TYR HD1 H 6.642 0.000 3 863 100 100 TYR HD2 H 6.642 0.000 3 864 100 100 TYR HE1 H 6.390 0.000 3 865 100 100 TYR HE2 H 6.390 0.000 3 866 100 100 TYR CA C 61.836 0.000 1 867 100 100 TYR CB C 39.329 0.011 1 868 100 100 TYR CD1 C 132.460 0.000 3 869 100 100 TYR CD2 C 132.460 0.000 3 870 100 100 TYR CE1 C 118.010 0.000 3 871 100 100 TYR CE2 C 118.010 0.000 3 872 100 100 TYR N N 125.845 0.044 1 873 101 101 LYS H H 9.156 0.005 1 874 101 101 LYS HE2 H 3.294 0.000 1 875 101 101 LYS HE3 H 3.294 0.000 1 876 101 101 LYS CA C 60.103 0.000 1 877 101 101 LYS CB C 32.275 0.000 1 878 101 101 LYS N N 113.343 0.038 1 879 102 102 VAL H H 6.672 0.012 1 880 102 102 VAL CA C 65.084 0.000 1 881 102 102 VAL CB C 30.093 0.000 1 882 102 102 VAL N N 118.473 0.001 1 883 103 103 ALA H H 7.179 0.013 1 884 103 103 ALA HA H 3.725 0.000 1 885 103 103 ALA HB H 1.118 0.000 1 886 103 103 ALA CA C 54.998 0.120 1 887 103 103 ALA CB C 17.418 0.089 1 888 103 103 ALA N N 119.192 0.081 1 889 104 104 ILE H H 6.745 0.018 1 890 104 104 ILE HA H 3.297 0.000 1 891 104 104 ILE HB H 1.242 0.000 1 892 104 104 ILE HG12 H 1.513 0.001 1 893 104 104 ILE HG2 H 0.576 0.000 1 894 104 104 ILE HD1 H 0.030 0.000 1 895 104 104 ILE CA C 65.382 0.067 1 896 104 104 ILE CB C 38.609 0.034 1 897 104 104 ILE CG1 C 29.316 0.000 1 898 104 104 ILE CG2 C 16.451 0.000 1 899 104 104 ILE CD1 C 12.645 0.000 1 900 104 104 ILE N N 111.812 0.192 1 901 105 105 ASN H H 8.507 0.016 1 902 105 105 ASN HA H 4.085 0.000 1 903 105 105 ASN HB2 H 2.593 0.000 1 904 105 105 ASN CA C 58.650 0.057 1 905 105 105 ASN CB C 41.395 0.000 1 906 105 105 ASN N N 118.431 0.092 1 907 106 106 GLU H H 8.777 0.014 1 908 106 106 GLU HA H 4.129 0.000 1 909 106 106 GLU HB2 H 2.074 0.000 1 910 106 106 GLU CA C 59.104 0.020 1 911 106 106 GLU CB C 30.329 0.006 1 912 106 106 GLU CG C 38.177 0.000 1 913 106 106 GLU N N 115.253 0.047 1 914 107 107 ALA H H 7.060 0.011 1 915 107 107 ALA HA H 4.190 0.000 1 916 107 107 ALA HB H 1.238 0.000 1 917 107 107 ALA CA C 54.722 0.053 1 918 107 107 ALA CB C 19.281 0.105 1 919 107 107 ALA N N 120.618 0.061 1 920 108 108 ILE H H 7.786 0.014 1 921 108 108 ILE CA C 65.916 0.067 1 922 108 108 ILE CB C 38.322 0.084 1 923 108 108 ILE CG2 C 17.887 0.000 1 924 108 108 ILE CD1 C 17.887 0.000 1 925 108 108 ILE N N 118.192 0.043 1 926 109 109 GLU H H 7.914 0.013 1 927 109 109 GLU HA H 3.837 0.000 1 928 109 109 GLU HB2 H 2.238 0.000 2 929 109 109 GLU HB3 H 1.996 0.002 2 930 109 109 GLU CA C 59.268 0.027 1 931 109 109 GLU CB C 28.463 0.093 1 932 109 109 GLU CG C 35.866 0.000 1 933 109 109 GLU N N 118.274 0.019 1 934 110 110 LEU H H 8.854 0.011 1 935 110 110 LEU HD1 H 0.953 0.000 1 936 110 110 LEU HD2 H 0.953 0.000 1 937 110 110 LEU CA C 57.918 0.000 1 938 110 110 LEU CB C 43.015 0.074 1 939 110 110 LEU CG C 31.419 0.000 1 940 110 110 LEU CD1 C 23.713 0.000 2 941 110 110 LEU CD2 C 26.567 0.000 2 942 110 110 LEU N N 122.188 0.006 1 943 111 111 ALA H H 8.574 0.010 1 944 111 111 ALA HB H 1.477 0.000 1 945 111 111 ALA CA C 55.231 0.044 1 946 111 111 ALA CB C 17.000 0.008 1 947 111 111 ALA N N 121.418 0.036 1 948 112 112 LYS H H 8.306 0.007 1 949 112 112 LYS HA H 4.077 0.000 1 950 112 112 LYS HB2 H 1.699 0.000 2 951 112 112 LYS HB3 H 2.046 0.000 2 952 112 112 LYS HG2 H 1.332 0.000 2 953 112 112 LYS HG3 H 1.429 0.000 2 954 112 112 LYS HD2 H 1.861 0.000 1 955 112 112 LYS HD3 H 1.861 0.000 1 956 112 112 LYS CA C 59.833 0.000 1 957 112 112 LYS CB C 32.469 0.027 1 958 112 112 LYS CG C 25.566 0.000 1 959 112 112 LYS CD C 29.625 0.000 1 960 112 112 LYS CE C 40.412 0.000 1 961 112 112 LYS N N 119.154 0.012 1 962 113 113 SER H H 7.870 0.010 1 963 113 113 SER HB2 H 4.038 0.047 1 964 113 113 SER CA C 61.699 0.106 1 965 113 113 SER CB C 63.115 0.121 1 966 113 113 SER N N 113.652 0.011 1 967 114 114 PHE H H 8.068 0.021 1 968 114 114 PHE HA H 4.804 0.000 1 969 114 114 PHE HB2 H 2.408 0.000 2 970 114 114 PHE HB3 H 3.177 0.000 2 971 114 114 PHE HD1 H 7.294 0.000 3 972 114 114 PHE HD2 H 7.294 0.000 3 973 114 114 PHE HE1 H 7.228 0.000 3 974 114 114 PHE HE2 H 7.228 0.000 3 975 114 114 PHE HZ H 7.161 0.000 1 976 114 114 PHE CA C 58.257 0.000 1 977 114 114 PHE CB C 42.011 0.155 1 978 114 114 PHE CD1 C 131.575 0.000 3 979 114 114 PHE CD2 C 131.575 0.000 3 980 114 114 PHE CE1 C 130.456 0.000 3 981 114 114 PHE CE2 C 130.456 0.000 3 982 114 114 PHE CZ C 129.264 0.000 1 983 114 114 PHE N N 114.455 0.083 1 984 115 115 GLY H H 8.456 0.009 1 985 115 115 GLY HA2 H 4.173 0.005 2 986 115 115 GLY HA3 H 3.791 0.001 2 987 115 115 GLY CA C 43.688 0.063 1 988 115 115 GLY N N 109.306 0.095 1 989 116 116 ALA H H 8.500 0.028 1 990 116 116 ALA HA H 4.369 0.000 1 991 116 116 ALA HB H 1.500 0.000 1 992 116 116 ALA CA C 51.657 0.059 1 993 116 116 ALA CB C 19.440 0.082 1 994 116 116 ALA N N 122.164 0.033 1 995 117 117 GLU H H 8.711 0.010 1 996 117 117 GLU HA H 4.039 0.000 1 997 117 117 GLU HB2 H 1.966 0.000 1 998 117 117 GLU HG2 H 2.275 0.000 1 999 117 117 GLU HG3 H 2.275 0.000 1 1000 117 117 GLU CA C 59.139 0.057 1 1001 117 117 GLU CB C 29.217 0.070 1 1002 117 117 GLU CG C 35.664 0.000 1 1003 117 117 GLU N N 122.472 0.042 1 1004 118 118 ASP H H 8.894 0.009 1 1005 118 118 ASP CA C 56.418 0.000 1 1006 118 118 ASP CB C 39.558 0.000 1 1007 118 118 ASP N N 117.955 0.025 1 1008 119 119 SER N N 117.018 0.000 1 1009 120 120 HIS HE1 H 7.939 0.000 1 1010 120 120 HIS CE1 C 139.024 0.000 1 1011 122 122 PHE HD1 H 6.879 0.000 3 1012 122 122 PHE HD2 H 6.879 0.000 3 1013 122 122 PHE HZ H 7.048 0.000 1 1014 122 122 PHE CA C 61.645 0.000 1 1015 122 122 PHE CB C 38.827 0.000 1 1016 122 122 PHE CD1 C 132.643 0.000 3 1017 122 122 PHE CD2 C 132.643 0.000 3 1018 122 122 PHE CZ C 128.665 0.000 1 1019 123 123 VAL H H 8.253 0.011 1 1020 123 123 VAL HA H 3.317 0.004 1 1021 123 123 VAL HG1 H 0.978 0.000 1 1022 123 123 VAL CA C 66.417 0.034 1 1023 123 123 VAL CB C 31.573 0.184 1 1024 123 123 VAL N N 117.513 0.036 1 1025 124 124 ASN H H 8.181 0.008 1 1026 124 124 ASN HA H 3.832 0.000 1 1027 124 124 ASN HB2 H 2.999 0.000 1 1028 124 124 ASN CA C 55.824 0.067 1 1029 124 124 ASN CB C 39.016 0.059 1 1030 124 124 ASN N N 114.639 0.082 1 1031 125 125 GLY H H 8.463 0.012 1 1032 125 125 GLY CA C 47.025 0.067 1 1033 125 125 GLY N N 109.471 0.072 1 1034 126 126 VAL H H 7.791 0.000 1 1035 126 126 VAL HG1 H 1.229 0.000 1 1036 126 126 VAL HG2 H 1.229 0.000 1 1037 126 126 VAL CA C 66.061 0.000 1 1038 126 126 VAL CB C 32.312 0.091 1 1039 126 126 VAL N N 118.178 0.000 1 1040 127 127 LEU H H 7.870 0.012 1 1041 127 127 LEU HA H 3.692 0.007 1 1042 127 127 LEU HB2 H 1.280 0.000 2 1043 127 127 LEU HB3 H 1.938 0.000 2 1044 127 127 LEU HG H 1.743 0.000 1 1045 127 127 LEU HD1 H 0.535 0.000 2 1046 127 127 LEU HD2 H 0.816 0.000 2 1047 127 127 LEU CA C 57.785 0.089 1 1048 127 127 LEU CB C 41.464 0.004 1 1049 127 127 LEU CG C 26.227 0.000 1 1050 127 127 LEU CD2 C 22.138 0.000 1 1051 127 127 LEU N N 116.116 0.012 1 1052 128 128 ASP H H 7.919 0.009 1 1053 128 128 ASP HA H 4.452 0.000 1 1054 128 128 ASP HB2 H 2.550 0.000 1 1055 128 128 ASP HB3 H 2.550 0.000 1 1056 128 128 ASP CA C 56.302 0.083 1 1057 128 128 ASP CB C 43.508 0.085 1 1058 128 128 ASP N N 114.707 0.023 1 1059 129 129 LYS H H 6.719 0.012 1 1060 129 129 LYS HA H 4.088 0.000 1 1061 129 129 LYS HB2 H 1.629 0.000 1 1062 129 129 LYS HE2 H 3.101 0.000 1 1063 129 129 LYS HE3 H 3.101 0.000 1 1064 129 129 LYS CA C 55.551 0.048 1 1065 129 129 LYS CB C 31.793 0.065 1 1066 129 129 LYS CE C 42.125 0.000 1 1067 129 129 LYS N N 113.658 0.015 1 1068 130 130 ALA H H 7.708 0.014 1 1069 130 130 ALA HA H 4.701 0.000 1 1070 130 130 ALA CA C 53.306 0.070 1 1071 130 130 ALA CB C 19.143 0.082 1 1072 130 130 ALA N N 118.576 0.022 1 1073 131 131 ALA H H 8.566 0.011 1 1074 131 131 ALA N N 118.995 0.011 1 1075 132 132 PRO HA H 4.397 0.011 1 1076 132 132 PRO HB2 H 1.729 0.000 1 1077 132 132 PRO CA C 65.073 0.028 1 1078 132 132 PRO CB C 30.595 0.000 1 1079 132 132 PRO CG C 27.670 0.000 1 1080 132 132 PRO CD C 50.561 0.000 1 1081 132 132 PRO N N 118.876 0.000 1 1082 133 133 VAL H H 6.890 0.014 1 1083 133 133 VAL HA H 3.719 0.000 1 1084 133 133 VAL HB H 2.197 0.000 1 1085 133 133 VAL HG1 H 1.016 0.000 2 1086 133 133 VAL HG2 H 1.773 0.000 2 1087 133 133 VAL CA C 64.474 0.075 1 1088 133 133 VAL CB C 31.736 0.000 1 1089 133 133 VAL CG1 C 21.645 0.000 1 1090 133 133 VAL CG2 C 21.645 0.000 1 1091 133 133 VAL N N 115.889 0.013 1 1092 134 134 ILE H H 7.291 0.012 1 1093 134 134 ILE HA H 3.892 0.000 1 1094 134 134 ILE HB H 1.722 0.000 1 1095 134 134 ILE HD1 H 0.826 0.004 1 1096 134 134 ILE CA C 62.543 0.000 1 1097 134 134 ILE CB C 39.236 0.089 1 1098 134 134 ILE CD1 C 18.014 0.004 1 1099 134 134 ILE N N 118.973 0.030 1 1100 135 135 ARG H H 8.418 0.010 1 1101 135 135 ARG HA H 4.953 0.000 1 1102 135 135 ARG CA C 52.829 0.079 1 1103 135 135 ARG CB C 31.624 0.000 1 1104 135 135 ARG N N 117.424 0.025 1 1105 136 136 PRO HA H 4.684 0.002 1 1106 136 136 PRO HB2 H 1.833 0.000 2 1107 136 136 PRO HB3 H 1.948 0.000 2 1108 136 136 PRO CA C 64.496 0.054 1 1109 136 136 PRO CB C 31.646 0.000 1 1110 136 136 PRO CG C 27.077 0.000 1 1111 136 136 PRO CD C 49.891 0.000 1 1112 136 136 PRO N N 117.357 0.000 1 1113 137 137 ASN H H 8.192 0.007 1 1114 137 137 ASN HA H 4.453 0.000 1 1115 137 137 ASN HB2 H 2.811 0.000 1 1116 137 137 ASN HB3 H 2.811 0.000 1 1117 137 137 ASN CA C 52.748 0.074 1 1118 137 137 ASN CB C 37.250 0.058 1 1119 137 137 ASN N N 113.402 0.009 1 1120 138 138 LYS H H 8.376 0.011 1 1121 138 138 LYS HA H 2.883 0.000 1 1122 138 138 LYS HB2 H 1.529 0.000 1 1123 138 138 LYS HB3 H 1.529 0.000 1 1124 138 138 LYS HG2 H 0.821 0.000 1 1125 138 138 LYS HG3 H 0.821 0.000 1 1126 138 138 LYS HD2 H 1.106 0.000 1 1127 138 138 LYS HD3 H 1.106 0.000 1 1128 138 138 LYS CA C 57.045 0.035 1 1129 138 138 LYS CB C 29.584 0.094 1 1130 138 138 LYS CG C 24.526 0.000 1 1131 138 138 LYS CE C 41.720 0.000 1 1132 138 138 LYS N N 115.188 0.022 1 1133 139 139 LYS H H 6.828 0.011 1 1134 139 139 LYS N N 120.656 0.021 1 stop_ save_