data_25124 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure and Chemical Shift Assignments for BeF3 activated Receiver Domain of Nitrogen Regulatory Protein C ( NtrC ) at 35C ; _BMRB_accession_number 25124 _BMRB_flat_file_name bmr25124.str _Entry_type original _Submission_date 2014-08-04 _Accession_date 2014-08-04 _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 Clarkson Michael W. . 2 Pontiggia Francesco . . 3 Villali Janice . . 4 Kern Dorothee . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 712 "13C chemical shifts" 549 "15N chemical shifts" 126 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-06-29 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 25125 'Apo form of the Receiver Domain of Nitrogen Regulatory Protein C ( NTRC ) at 35C' stop_ _Original_release_date 2015-06-29 save_ ############################# # Citation for this entry # ############################# save_paper1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Free energy landscape of activation in a signalling protein at atomic resolution ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26073309 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pontiggia Francesco . . 2 Pachov Dimitar V. . 3 Clarkson Michael W. . 4 Villali Janice . . 5 Hagan Michael F. . 6 Pande Vijay V. . 7 Kern Dorothee . . stop_ _Journal_abbreviation 'Nat. Commun.' _Journal_volume 6 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 7284 _Page_last 7284 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'BeF3 activated Receiver Domain of Nitrogen Regulatory Protein C ( NtrC ) at 35C' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Receiver_Domain_of_NtrC $NtrC stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_NtrC _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Receiver_Domain_of_NtrC _Molecular_mass 13636.716 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 124 _Mol_residue_sequence ; MQRGIVWVVDDDSSIRWVLE RALAGAGLTCTTFENGNEVL AALASKTPDVLLSDIRMPGM DGLALLKQIKQRHPMLPVII MTAHSDLDAAVSAYQQGAFD YLPKPFDIDEAVALVERAIS HYQE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 GLN 3 3 ARG 4 4 GLY 5 5 ILE 6 6 VAL 7 7 TRP 8 8 VAL 9 9 VAL 10 10 ASP 11 11 ASP 12 12 ASP 13 13 SER 14 14 SER 15 15 ILE 16 16 ARG 17 17 TRP 18 18 VAL 19 19 LEU 20 20 GLU 21 21 ARG 22 22 ALA 23 23 LEU 24 24 ALA 25 25 GLY 26 26 ALA 27 27 GLY 28 28 LEU 29 29 THR 30 30 CYS 31 31 THR 32 32 THR 33 33 PHE 34 34 GLU 35 35 ASN 36 36 GLY 37 37 ASN 38 38 GLU 39 39 VAL 40 40 LEU 41 41 ALA 42 42 ALA 43 43 LEU 44 44 ALA 45 45 SER 46 46 LYS 47 47 THR 48 48 PRO 49 49 ASP 50 50 VAL 51 51 LEU 52 52 LEU 53 53 SER 54 54 ASP 55 55 ILE 56 56 ARG 57 57 MET 58 58 PRO 59 59 GLY 60 60 MET 61 61 ASP 62 62 GLY 63 63 LEU 64 64 ALA 65 65 LEU 66 66 LEU 67 67 LYS 68 68 GLN 69 69 ILE 70 70 LYS 71 71 GLN 72 72 ARG 73 73 HIS 74 74 PRO 75 75 MET 76 76 LEU 77 77 PRO 78 78 VAL 79 79 ILE 80 80 ILE 81 81 MET 82 82 THR 83 83 ALA 84 84 HIS 85 85 SER 86 86 ASP 87 87 LEU 88 88 ASP 89 89 ALA 90 90 ALA 91 91 VAL 92 92 SER 93 93 ALA 94 94 TYR 95 95 GLN 96 96 GLN 97 97 GLY 98 98 ALA 99 99 PHE 100 100 ASP 101 101 TYR 102 102 LEU 103 103 PRO 104 104 LYS 105 105 PRO 106 106 PHE 107 107 ASP 108 108 ILE 109 109 ASP 110 110 GLU 111 111 ALA 112 112 VAL 113 113 ALA 114 114 LEU 115 115 VAL 116 116 GLU 117 117 ARG 118 118 ALA 119 119 ILE 120 120 SER 121 121 HIS 122 122 TYR 123 123 GLN 124 124 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-05 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 25125 Receiver_Domain_of_NtrC 100.00 124 100.00 100.00 1.71e-84 BMRB 4527 "Nitrogen regulatory protein C N-terminal receiver domain" 100.00 124 100.00 100.00 1.71e-84 BMRB 4528 "NITROGEN REGULATION PROTEIN" 100.00 124 100.00 100.00 1.71e-84 PDB 1DC7 'Structure Of A Transiently Phosphorylated "switch" In Bacterial Signal Transduction' 99.19 124 100.00 100.00 1.29e-83 PDB 1DC8 'Structure Of A Transiently Phosphorylated "switch" In Bacterial Signal Transduction' 99.19 124 99.19 99.19 1.22e-82 PDB 1J56 "Minimized Average Structure Of Beryllofluoride-Activated Ntrc Receiver Domain: Model Structure Incorporating Active Site Contac" 100.00 124 100.00 100.00 1.71e-84 PDB 1KRW "Solution Structure And Backbone Dynamics Of Beryllofluoride- Activated Ntrc Receiver Domain" 99.19 124 100.00 100.00 1.27e-83 PDB 1KRX "Solution Structure Of Beryllofluoride-Activated Ntrc Receiver Domain: Model Structures Incorporating Active Site Contacts" 100.00 124 100.00 100.00 1.71e-84 PDB 1NTR "Solution Structure Of The N-Terminal Receiver Domain Of Ntrc" 100.00 124 100.00 100.00 1.71e-84 PDB 2MSK "Solution Structure And Chemical Shift Assignments For Bef3 Activated Receiver Domain Of Nitrogen Regulatory Protein C (ntrc) At" 100.00 124 100.00 100.00 1.71e-84 PDB 2MSL "Solution Structure And Chemical Shift Assignments For The Apo Form Of The Receiver Domain Of Nitrogen Regulatory Protein C (ntr" 100.00 124 100.00 100.00 1.71e-84 DBJ BAB38213 "response regulator for gln GlnG [Escherichia coli O157:H7 str. Sakai]" 100.00 469 98.39 98.39 1.15e-78 DBJ BAE77441 "fused DNA-binding response regulator in two-component regulatory system with GlnL, nitrogen regulator I (NRI) [Escherichia coli" 100.00 469 98.39 98.39 1.15e-78 DBJ BAG79675 "two-component regulator protein [Escherichia coli SE11]" 100.00 469 98.39 98.39 1.25e-78 DBJ BAI27885 "fused DNA-binding response regulator GlnG in two-component regulatory system with GlnL: response regulator/sigma 54 interaction" 100.00 469 98.39 98.39 1.15e-78 DBJ BAI33008 "fused DNA-binding response regulator GlnG in two-component regulatory system with GlnL: response regulator/sigma 54 interaction" 100.00 469 98.39 98.39 1.25e-78 EMBL CAA28808 "unnamed protein product [Escherichia coli K-12]" 100.00 468 98.39 98.39 1.04e-78 EMBL CAA59425 "nitrogen regulatory protein C [Salmonella enterica subsp. enterica serovar Typhimurium]" 100.00 469 100.00 100.00 2.44e-80 EMBL CAD03095 "Two-component system, response regulator [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 100.00 469 99.19 99.19 2.04e-79 EMBL CAP78325 "Nitrogen regulation protein NR(I) [Escherichia coli LF82]" 100.00 469 98.39 98.39 1.52e-78 EMBL CAQ34219 "NtrC transcriptional dual regulator, subunit of NtrC-Phosphorylated transcriptional dual regulator [Escherichia coli BL21(DE3)]" 100.00 469 98.39 98.39 1.25e-78 GB AAB03002 "CG Site No. 702 [Escherichia coli str. K-12 substr. MG1655]" 100.00 469 98.39 98.39 1.15e-78 GB AAC76865 "fused DNA-binding response regulator in two-component regulatory system with GlnL: response regulator/sigma54 interaction prote" 100.00 469 98.39 98.39 1.15e-78 GB AAG59057 "response regulator for gln (sensor glnL) (nitrogen regulator I, NRI) [Escherichia coli O157:H7 str. EDL933]" 100.00 469 98.39 98.39 8.80e-79 GB AAL22844 "EBP family response regulator in two-component regulatory system with GlnL [Salmonella enterica subsp. enterica serovar Typhimu" 100.00 469 100.00 100.00 2.26e-80 GB AAN45373 "sensor glnL response regulator (nitrogen regulator I, NRI) [Shigella flexneri 2a str. 301]" 100.00 469 98.39 98.39 1.24e-78 PIR AC0950 "Two-component system, response regulator STY3876 [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" 100.00 469 99.19 99.19 2.04e-79 PIR E86074 "hypothetical protein glnG [imported] - Escherichia coli (strain O157:H7, substrain EDL933)" 100.00 469 98.39 98.39 8.80e-79 REF NP_312817 "nitrogen regulation protein NR(I) [Escherichia coli O157:H7 str. Sakai]" 100.00 469 98.39 98.39 1.15e-78 REF NP_418304 "fused DNA-binding response regulator in two-component regulatory system with GlnL: response regulator/sigma54 interaction prote" 100.00 469 98.39 98.39 1.15e-78 REF NP_458044 "two-component system response regulator [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 100.00 469 99.19 99.19 2.04e-79 REF NP_462885 "nitrogen regulation protein NR(I) [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" 100.00 469 100.00 100.00 2.26e-80 REF NP_709666 "nitrogen regulation protein NR(I) [Shigella flexneri 2a str. 301]" 100.00 469 98.39 98.39 1.24e-78 SP P0AFB8 "RecName: Full=Nitrogen regulation protein NR(I)" 100.00 469 98.39 98.39 1.15e-78 SP P0AFB9 "RecName: Full=Nitrogen regulation protein NR(I)" 100.00 469 98.39 98.39 1.15e-78 SP P41789 "RecName: Full=Nitrogen regulation protein NR(I)" 100.00 469 100.00 100.00 2.26e-80 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $NtrC salmonella 90371 Bacteria . Salmonella typhimurium 'glnG ntrC STM4005' 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 $NtrC 'recombinant technology' . Escherichia coli . pET-7 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 $NtrC 0.3 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'beryllium chloride' 4.4 mM 'natural abundance' 'sodium fluoride' 29 mM 'natural abundance' 'magnesium chloride' 7.2 mM 'natural abundance' H20 93 % 'natural abundance' D20 7 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Professor Kurt W thrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Agilent _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH3-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH3-TOCSY' _Sample_label $sample_1 save_ save_2D_(HB)CB(CGCD)HD_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCD)HD' _Sample_label $sample_1 save_ save_2D_(HB)CB(CGCDCE)HE_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCDCE)HE' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 6.75 . pH pressure 1 . atm temperature 273 . K 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 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 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 '2D 1H-15N HSQC' '3D HNCO' '3D HNCACB' '3D CBCA(CO)NH' '3D H(CCO)NH' '3D C(CO)NH' '3D HCCH-TOCSY' '3D HCCH3-TOCSY' '2D (HB)CB(CGCD)HD' '2D (HB)CB(CGCDCE)HE' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' 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 Receiver_Domain_of_NtrC _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 HA H 4.402 0.020 1 2 1 1 MET HE H 2.072 0.020 1 3 1 1 MET CE C 16.899 0.3 1 4 2 2 GLN HA H 4.453 0.020 1 5 2 2 GLN HB2 H 2.053 0.020 1 6 2 2 GLN HB3 H 2.053 0.020 1 7 2 2 GLN HG2 H 2.314 0.020 1 8 2 2 GLN HG3 H 2.314 0.020 1 9 2 2 GLN HE21 H 6.854 0.020 1 10 2 2 GLN HE22 H 7.533 0.020 1 11 2 2 GLN C C 174.930 0.3 1 12 2 2 GLN CA C 55.627 0.3 1 13 2 2 GLN CB C 29.312 0.3 1 14 2 2 GLN CG C 33.820 0.3 1 15 2 2 GLN NE2 N 111.966 0.3 1 16 3 3 ARG H H 8.451 0.020 1 17 3 3 ARG HA H 4.390 0.020 1 18 3 3 ARG HB2 H 1.807 0.020 2 19 3 3 ARG HB3 H 1.708 0.020 2 20 3 3 ARG HG2 H 1.639 0.020 1 21 3 3 ARG HG3 H 1.639 0.020 1 22 3 3 ARG HD2 H 3.136 0.020 1 23 3 3 ARG HD3 H 3.136 0.020 1 24 3 3 ARG C C 175.723 0.3 1 25 3 3 ARG CA C 56.041 0.3 1 26 3 3 ARG CB C 31.395 0.3 1 27 3 3 ARG CG C 27.314 0.3 1 28 3 3 ARG CD C 43.299 0.3 1 29 3 3 ARG N N 121.349 0.3 1 30 4 4 GLY H H 8.037 0.020 1 31 4 4 GLY HA2 H 3.960 0.020 2 32 4 4 GLY HA3 H 3.856 0.020 2 33 4 4 GLY C C 171.122 0.3 1 34 4 4 GLY CA C 45.333 0.3 1 35 4 4 GLY N N 107.889 0.3 1 36 5 5 ILE H H 9.605 0.020 1 37 5 5 ILE HA H 4.731 0.020 1 38 5 5 ILE HB H 1.592 0.020 1 39 5 5 ILE HG12 H 1.020 0.020 1 40 5 5 ILE HG13 H 1.020 0.020 1 41 5 5 ILE HG2 H 0.897 0.020 1 42 5 5 ILE HD1 H 0.899 0.020 1 43 5 5 ILE C C 175.459 0.3 1 44 5 5 ILE CA C 60.614 0.3 1 45 5 5 ILE CB C 39.535 0.3 1 46 5 5 ILE CG1 C 27.382 0.3 1 47 5 5 ILE CG2 C 18.394 0.3 1 48 5 5 ILE CD1 C 13.490 0.3 1 49 5 5 ILE N N 122.674 0.3 1 50 6 6 VAL H H 9.135 0.020 1 51 6 6 VAL HA H 4.892 0.020 1 52 6 6 VAL HB H 1.835 0.020 1 53 6 6 VAL HG1 H 0.856 0.020 2 54 6 6 VAL HG2 H 0.798 0.020 2 55 6 6 VAL C C 174.110 0.3 1 56 6 6 VAL CA C 59.255 0.3 1 57 6 6 VAL CB C 34.530 0.3 1 58 6 6 VAL CG1 C 21.571 0.3 1 59 6 6 VAL CG2 C 21.993 0.3 1 60 6 6 VAL N N 127.532 0.3 1 61 7 7 TRP H H 8.544 0.020 1 62 7 7 TRP HA H 6.447 0.020 1 63 7 7 TRP HB2 H 3.137 0.020 2 64 7 7 TRP HB3 H 3.087 0.020 2 65 7 7 TRP HD1 H 7.175 0.020 1 66 7 7 TRP HE1 H 10.140 0.020 1 67 7 7 TRP HE3 H 6.904 0.020 1 68 7 7 TRP HZ2 H 7.145 0.020 1 69 7 7 TRP HZ3 H 6.832 0.020 1 70 7 7 TRP HH2 H 6.944 0.020 1 71 7 7 TRP C C 175.089 0.3 1 72 7 7 TRP CA C 52.797 0.3 1 73 7 7 TRP CB C 33.255 0.3 1 74 7 7 TRP CD1 C 123.428 0.3 1 75 7 7 TRP CE3 C 119.922 0.3 1 76 7 7 TRP CZ2 C 113.523 0.3 1 77 7 7 TRP CZ3 C 121.950 0.3 1 78 7 7 TRP CH2 C 126.160 0.3 1 79 7 7 TRP N N 127.409 0.3 1 80 7 7 TRP NE1 N 127.244 0.3 1 81 8 8 VAL H H 8.643 0.020 1 82 8 8 VAL HA H 5.135 0.020 1 83 8 8 VAL HB H 1.787 0.020 1 84 8 8 VAL HG1 H 0.854 0.020 2 85 8 8 VAL HG2 H 0.863 0.020 2 86 8 8 VAL C C 173.820 0.3 1 87 8 8 VAL CA C 60.457 0.3 1 88 8 8 VAL CB C 35.893 0.3 1 89 8 8 VAL CG1 C 21.601 0.3 1 90 8 8 VAL CG2 C 22.083 0.3 1 91 8 8 VAL N N 122.270 0.3 1 92 9 9 VAL H H 9.113 0.020 1 93 9 9 VAL HA H 5.192 0.020 1 94 9 9 VAL HB H 1.823 0.020 1 95 9 9 VAL HG1 H 1.012 0.020 2 96 9 9 VAL HG2 H 0.664 0.020 2 97 9 9 VAL C C 172.550 0.3 1 98 9 9 VAL CA C 58.384 0.3 1 99 9 9 VAL CB C 34.135 0.3 1 100 9 9 VAL CG1 C 20.227 0.3 1 101 9 9 VAL CG2 C 21.469 0.3 1 102 9 9 VAL N N 126.806 0.3 1 103 10 10 ASP H H 7.881 0.020 1 104 10 10 ASP HA H 4.554 0.020 1 105 10 10 ASP HB2 H 2.507 0.020 2 106 10 10 ASP HB3 H 2.350 0.020 2 107 10 10 ASP C C 174.877 0.3 1 108 10 10 ASP CA C 55.066 0.3 1 109 10 10 ASP CB C 44.131 0.3 1 110 10 10 ASP N N 125.011 0.3 1 111 11 11 ASP H H 9.166 0.020 1 112 11 11 ASP HA H 4.613 0.020 1 113 11 11 ASP HB2 H 2.964 0.020 2 114 11 11 ASP HB3 H 2.799 0.020 2 115 11 11 ASP C C 175.089 0.3 1 116 11 11 ASP CA C 55.346 0.3 1 117 11 11 ASP CB C 39.583 0.3 1 118 11 11 ASP N N 124.048 0.3 1 119 12 12 ASP H H 10.290 0.020 1 120 12 12 ASP HA H 4.757 0.020 1 121 12 12 ASP HB2 H 3.025 0.020 2 122 12 12 ASP HB3 H 2.561 0.020 2 123 12 12 ASP C C 176.993 0.3 1 124 12 12 ASP CA C 53.112 0.3 1 125 12 12 ASP CB C 41.072 0.3 1 126 12 12 ASP N N 125.165 0.3 1 127 13 13 SER H H 8.993 0.020 1 128 13 13 SER HA H 3.719 0.020 1 129 13 13 SER HB2 H 3.873 0.020 2 130 13 13 SER HB3 H 3.787 0.020 2 131 13 13 SER C C 176.146 0.3 1 132 13 13 SER CA C 61.341 0.3 1 133 13 13 SER CB C 62.638 0.3 1 134 13 13 SER N N 123.818 0.3 1 135 14 14 SER H H 8.499 0.020 1 136 14 14 SER HA H 4.322 0.020 1 137 14 14 SER HB2 H 3.968 0.020 1 138 14 14 SER HB3 H 3.968 0.020 1 139 14 14 SER C C 176.411 0.3 1 140 14 14 SER CA C 61.717 0.3 1 141 14 14 SER CB C 62.554 0.3 1 142 14 14 SER N N 118.714 0.3 1 143 15 15 ILE H H 7.011 0.020 1 144 15 15 ILE HA H 3.972 0.020 1 145 15 15 ILE HB H 2.115 0.020 1 146 15 15 ILE HG12 H 1.522 0.020 2 147 15 15 ILE HG13 H 1.279 0.020 2 148 15 15 ILE HG2 H 0.951 0.020 1 149 15 15 ILE HD1 H 0.622 0.020 1 150 15 15 ILE C C 177.786 0.3 1 151 15 15 ILE CA C 60.784 0.3 1 152 15 15 ILE CB C 36.016 0.3 1 153 15 15 ILE CG1 C 26.977 0.3 1 154 15 15 ILE CG2 C 17.697 0.3 1 155 15 15 ILE CD1 C 8.843 0.3 1 156 15 15 ILE N N 122.822 0.3 1 157 16 16 ARG H H 7.370 0.020 1 158 16 16 ARG HA H 3.711 0.020 1 159 16 16 ARG HB2 H 2.039 0.020 2 160 16 16 ARG HB3 H 1.708 0.020 2 161 16 16 ARG HG2 H 1.015 0.020 1 162 16 16 ARG HG3 H 1.015 0.020 1 163 16 16 ARG HD2 H 4.003 0.020 2 164 16 16 ARG HD3 H 2.910 0.020 2 165 16 16 ARG C C 177.336 0.3 1 166 16 16 ARG CA C 61.632 0.3 1 167 16 16 ARG CB C 30.520 0.3 1 168 16 16 ARG CG C 29.220 0.3 1 169 16 16 ARG CD C 43.893 0.3 1 170 16 16 ARG N N 116.580 0.3 1 171 17 17 TRP H H 8.020 0.020 1 172 17 17 TRP HA H 4.481 0.020 1 173 17 17 TRP HB2 H 3.436 0.020 2 174 17 17 TRP HB3 H 3.332 0.020 2 175 17 17 TRP HD1 H 7.255 0.020 1 176 17 17 TRP HE1 H 10.060 0.020 1 177 17 17 TRP HE3 H 7.585 0.020 1 178 17 17 TRP HZ2 H 7.416 0.020 1 179 17 17 TRP HZ3 H 7.085 0.020 1 180 17 17 TRP HH2 H 7.150 0.020 1 181 17 17 TRP C C 178.394 0.3 1 182 17 17 TRP CA C 60.482 0.3 1 183 17 17 TRP CB C 29.372 0.3 1 184 17 17 TRP CD1 C 127.300 0.3 1 185 17 17 TRP CE3 C 120.964 0.3 1 186 17 17 TRP CZ2 C 114.316 0.3 1 187 17 17 TRP CZ3 C 121.791 0.3 1 188 17 17 TRP CH2 C 124.290 0.3 1 189 17 17 TRP N N 116.893 0.3 1 190 17 17 TRP NE1 N 128.838 0.3 1 191 18 18 VAL H H 8.085 0.020 1 192 18 18 VAL HA H 3.662 0.020 1 193 18 18 VAL HB H 2.263 0.020 1 194 18 18 VAL HG1 H 1.149 0.020 2 195 18 18 VAL HG2 H 1.193 0.020 2 196 18 18 VAL C C 179.161 0.3 1 197 18 18 VAL CA C 65.858 0.3 1 198 18 18 VAL CB C 31.792 0.3 1 199 18 18 VAL CG1 C 21.258 0.3 1 200 18 18 VAL CG2 C 22.352 0.3 1 201 18 18 VAL N N 116.799 0.3 1 202 19 19 LEU H H 8.035 0.020 1 203 19 19 LEU HA H 4.083 0.020 1 204 19 19 LEU HB2 H 2.041 0.020 2 205 19 19 LEU HB3 H 1.148 0.020 2 206 19 19 LEU HG H 1.825 0.020 1 207 19 19 LEU HD1 H 0.820 0.020 2 208 19 19 LEU HD2 H 0.608 0.020 2 209 19 19 LEU C C 177.759 0.3 1 210 19 19 LEU CA C 57.971 0.3 1 211 19 19 LEU CB C 41.863 0.3 1 212 19 19 LEU CG C 27.912 0.3 1 213 19 19 LEU CD1 C 27.184 0.3 1 214 19 19 LEU CD2 C 22.077 0.3 1 215 19 19 LEU N N 119.595 0.3 1 216 20 20 GLU H H 8.417 0.020 1 217 20 20 GLU HA H 4.007 0.020 1 218 20 20 GLU HB2 H 2.051 0.020 1 219 20 20 GLU HB3 H 2.051 0.020 1 220 20 20 GLU HG2 H 2.152 0.020 1 221 20 20 GLU HG3 H 2.152 0.020 1 222 20 20 GLU C C 178.500 0.3 1 223 20 20 GLU CA C 60.567 0.3 1 224 20 20 GLU CB C 29.073 0.3 1 225 20 20 GLU CG C 35.990 0.3 1 226 20 20 GLU N N 120.318 0.3 1 227 21 21 ARG H H 7.579 0.020 1 228 21 21 ARG HA H 3.898 0.020 1 229 21 21 ARG HB2 H 1.628 0.020 2 230 21 21 ARG HB3 H 1.485 0.020 2 231 21 21 ARG HG2 H 1.297 0.020 2 232 21 21 ARG HG3 H 1.261 0.020 2 233 21 21 ARG HD2 H 2.710 0.020 1 234 21 21 ARG HD3 H 2.710 0.020 1 235 21 21 ARG C C 179.769 0.3 1 236 21 21 ARG CA C 58.491 0.3 1 237 21 21 ARG CB C 29.966 0.3 1 238 21 21 ARG CG C 26.424 0.3 1 239 21 21 ARG CD C 43.000 0.3 1 240 21 21 ARG N N 115.981 0.3 1 241 22 22 ALA H H 7.933 0.020 1 242 22 22 ALA HA H 4.110 0.020 1 243 22 22 ALA HB H 1.394 0.020 1 244 22 22 ALA C C 180.456 0.3 1 245 22 22 ALA CA C 54.643 0.3 1 246 22 22 ALA CB C 19.225 0.3 1 247 22 22 ALA N N 122.267 0.3 1 248 23 23 LEU H H 8.855 0.020 1 249 23 23 LEU HA H 4.005 0.020 1 250 23 23 LEU HB2 H 1.929 0.020 2 251 23 23 LEU HB3 H 1.114 0.020 2 252 23 23 LEU HG H 1.860 0.020 1 253 23 23 LEU HD1 H 0.773 0.020 2 254 23 23 LEU HD2 H 0.782 0.020 2 255 23 23 LEU C C 178.843 0.3 1 256 23 23 LEU CA C 57.765 0.3 1 257 23 23 LEU CB C 39.919 0.3 1 258 23 23 LEU CG C 27.484 0.3 1 259 23 23 LEU CD1 C 26.868 0.3 1 260 23 23 LEU CD2 C 24.000 0.3 1 261 23 23 LEU N N 118.139 0.3 1 262 24 24 ALA H H 8.238 0.020 1 263 24 24 ALA HA H 4.665 0.020 1 264 24 24 ALA HB H 1.519 0.020 1 265 24 24 ALA C C 183.206 0.3 1 266 24 24 ALA CA C 54.812 0.3 1 267 24 24 ALA CB C 17.820 0.3 1 268 24 24 ALA N N 122.164 0.3 1 269 25 25 GLY H H 7.907 0.020 1 270 25 25 GLY HA2 H 3.915 0.020 2 271 25 25 GLY HA3 H 3.877 0.020 2 272 25 25 GLY C C 174.375 0.3 1 273 25 25 GLY CA C 46.550 0.3 1 274 25 25 GLY N N 106.903 0.3 1 275 26 26 ALA H H 7.316 0.020 1 276 26 26 ALA HA H 4.505 0.020 1 277 26 26 ALA HB H 1.460 0.020 1 278 26 26 ALA CA C 51.585 0.3 1 279 26 26 ALA CB C 18.799 0.3 1 280 26 26 ALA N N 121.832 0.3 1 281 27 27 GLY H H 7.868 0.020 1 282 27 27 GLY HA2 H 4.279 0.020 2 283 27 27 GLY HA3 H 3.750 0.020 2 284 27 27 GLY C C 174.057 0.3 1 285 27 27 GLY CA C 45.333 0.3 1 286 27 27 GLY N N 106.146 0.3 1 287 28 28 LEU H H 7.659 0.020 1 288 28 28 LEU HA H 4.575 0.020 1 289 28 28 LEU HB2 H 1.447 0.020 2 290 28 28 LEU HB3 H 1.181 0.020 2 291 28 28 LEU HG H 1.462 0.020 1 292 28 28 LEU HD1 H 0.646 0.020 2 293 28 28 LEU HD2 H 0.728 0.020 2 294 28 28 LEU C C 175.988 0.3 1 295 28 28 LEU CA C 53.881 0.3 1 296 28 28 LEU CB C 42.540 0.3 1 297 28 28 LEU CG C 27.292 0.3 1 298 28 28 LEU CD1 C 23.654 0.3 1 299 28 28 LEU CD2 C 26.052 0.3 1 300 28 28 LEU N N 120.273 0.3 1 301 29 29 THR H H 8.562 0.020 1 302 29 29 THR HA H 4.346 0.020 1 303 29 29 THR HB H 4.151 0.020 1 304 29 29 THR HG2 H 1.253 0.020 1 305 29 29 THR C C 173.344 0.3 1 306 29 29 THR CA C 62.598 0.3 1 307 29 29 THR CB C 69.423 0.3 1 308 29 29 THR CG2 C 21.539 0.3 1 309 29 29 THR N N 118.173 0.3 1 310 30 30 CYS H H 9.035 0.020 1 311 30 30 CYS HA H 6.012 0.020 1 312 30 30 CYS HB2 H 2.804 0.020 2 313 30 30 CYS HB3 H 2.430 0.020 2 314 30 30 CYS HG H 1.351 0.020 1 315 30 30 CYS C C 173.978 0.3 1 316 30 30 CYS CA C 56.424 0.3 1 317 30 30 CYS CB C 29.615 0.3 1 318 30 30 CYS N N 128.450 0.3 1 319 31 31 THR H H 8.510 0.020 1 320 31 31 THR HA H 4.442 0.020 1 321 31 31 THR HB H 3.391 0.020 1 322 31 31 THR HG2 H 0.435 0.020 1 323 31 31 THR C C 172.683 0.3 1 324 31 31 THR CA C 61.956 0.3 1 325 31 31 THR CB C 70.624 0.3 1 326 31 31 THR CG2 C 22.630 0.3 1 327 31 31 THR N N 126.377 0.3 1 328 32 32 THR H H 8.301 0.020 1 329 32 32 THR HA H 5.454 0.020 1 330 32 32 THR HB H 3.929 0.020 1 331 32 32 THR HG2 H 1.134 0.020 1 332 32 32 THR C C 172.259 0.3 1 333 32 32 THR CA C 59.101 0.3 1 334 32 32 THR CB C 71.173 0.3 1 335 32 32 THR CG2 C 21.929 0.3 1 336 32 32 THR N N 115.988 0.3 1 337 33 33 PHE H H 8.834 0.020 1 338 33 33 PHE HA H 4.723 0.020 1 339 33 33 PHE HB2 H 3.142 0.020 2 340 33 33 PHE HB3 H 2.405 0.020 2 341 33 33 PHE HD1 H 6.844 0.020 1 342 33 33 PHE HD2 H 6.844 0.020 1 343 33 33 PHE HE1 H 6.287 0.020 1 344 33 33 PHE HE2 H 6.287 0.020 1 345 33 33 PHE HZ H 5.279 0.020 1 346 33 33 PHE C C 174.507 0.3 1 347 33 33 PHE CA C 56.504 0.3 1 348 33 33 PHE CB C 43.589 0.3 1 349 33 33 PHE CD1 C 131.357 0.3 1 350 33 33 PHE CD2 C 131.357 0.3 1 351 33 33 PHE CE1 C 130.565 0.3 1 352 33 33 PHE CE2 C 130.565 0.3 1 353 33 33 PHE CZ C 128.899 0.3 1 354 33 33 PHE N N 117.690 0.3 1 355 34 34 GLU H H 9.096 0.020 1 356 34 34 GLU HA H 4.451 0.020 1 357 34 34 GLU HB2 H 2.062 0.020 2 358 34 34 GLU HB3 H 2.011 0.020 2 359 34 34 GLU HG2 H 2.287 0.020 2 360 34 34 GLU HG3 H 2.154 0.020 2 361 34 34 GLU C C 174.957 0.3 1 362 34 34 GLU CA C 56.661 0.3 1 363 34 34 GLU CB C 31.792 0.3 1 364 34 34 GLU CG C 36.543 0.3 1 365 34 34 GLU N N 118.296 0.3 1 366 35 35 ASN H H 7.286 0.020 1 367 35 35 ASN HA H 4.960 0.020 1 368 35 35 ASN HB2 H 3.033 0.020 2 369 35 35 ASN HB3 H 2.982 0.020 2 370 35 35 ASN HD21 H 7.029 0.020 1 371 35 35 ASN HD22 H 7.735 0.020 1 372 35 35 ASN C C 175.353 0.3 1 373 35 35 ASN CA C 52.364 0.3 1 374 35 35 ASN CB C 40.932 0.3 1 375 35 35 ASN CG C 175.856 0.3 1 376 35 35 ASN N N 108.486 0.3 1 377 35 35 ASN ND2 N 116.400 0.3 1 378 36 36 GLY H H 9.369 0.020 1 379 36 36 GLY HA2 H 3.740 0.020 1 380 36 36 GLY HA3 H 3.740 0.020 1 381 36 36 GLY C C 174.586 0.3 1 382 36 36 GLY CA C 47.533 0.3 1 383 36 36 GLY N N 105.329 0.3 1 384 37 37 ASN H H 8.440 0.020 1 385 37 37 ASN HA H 4.362 0.020 1 386 37 37 ASN HB2 H 2.853 0.020 2 387 37 37 ASN HB3 H 2.717 0.020 2 388 37 37 ASN HD21 H 6.789 0.020 1 389 37 37 ASN HD22 H 7.624 0.020 1 390 37 37 ASN C C 178.791 0.3 1 391 37 37 ASN CA C 56.843 0.3 1 392 37 37 ASN CB C 37.716 0.3 1 393 37 37 ASN N N 120.396 0.3 1 394 37 37 ASN ND2 N 111.700 0.3 1 395 38 38 GLU H H 8.063 0.020 1 396 38 38 GLU HA H 4.058 0.020 1 397 38 38 GLU HB2 H 2.295 0.020 1 398 38 38 GLU HB3 H 2.295 0.020 1 399 38 38 GLU HG2 H 2.592 0.020 2 400 38 38 GLU HG3 H 2.356 0.020 2 401 38 38 GLU C C 179.372 0.3 1 402 38 38 GLU CA C 58.790 0.3 1 403 38 38 GLU CB C 30.692 0.3 1 404 38 38 GLU CG C 36.460 0.3 1 405 38 38 GLU N N 119.334 0.3 1 406 39 39 VAL H H 6.844 0.020 1 407 39 39 VAL HA H 2.599 0.020 1 408 39 39 VAL HB H 2.015 0.020 1 409 39 39 VAL HG1 H 0.850 0.020 2 410 39 39 VAL HG2 H 0.468 0.020 2 411 39 39 VAL C C 176.807 0.3 1 412 39 39 VAL CA C 65.222 0.3 1 413 39 39 VAL CB C 31.078 0.3 1 414 39 39 VAL CG1 C 21.542 0.3 1 415 39 39 VAL CG2 C 22.984 0.3 1 416 39 39 VAL N N 119.047 0.3 1 417 40 40 LEU H H 7.715 0.020 1 418 40 40 LEU HA H 3.929 0.020 1 419 40 40 LEU HB2 H 1.766 0.020 2 420 40 40 LEU HB3 H 1.486 0.020 2 421 40 40 LEU HG H 1.668 0.020 1 422 40 40 LEU HD1 H 0.814 0.020 2 423 40 40 LEU HD2 H 0.729 0.020 2 424 40 40 LEU C C 179.584 0.3 1 425 40 40 LEU CA C 57.943 0.3 1 426 40 40 LEU CB C 40.932 0.3 1 427 40 40 LEU CG C 26.830 0.3 1 428 40 40 LEU CD1 C 25.658 0.3 1 429 40 40 LEU CD2 C 22.891 0.3 1 430 40 40 LEU N N 118.385 0.3 1 431 41 41 ALA H H 7.671 0.020 1 432 41 41 ALA HA H 4.158 0.020 1 433 41 41 ALA HB H 1.458 0.020 1 434 41 41 ALA C C 180.562 0.3 1 435 41 41 ALA CA C 54.717 0.3 1 436 41 41 ALA CB C 17.853 0.3 1 437 41 41 ALA N N 120.091 0.3 1 438 42 42 ALA H H 7.573 0.020 1 439 42 42 ALA HA H 4.221 0.020 1 440 42 42 ALA HB H 1.313 0.020 1 441 42 42 ALA C C 180.166 0.3 1 442 42 42 ALA CA C 54.974 0.3 1 443 42 42 ALA CB C 19.488 0.3 1 444 42 42 ALA N N 122.650 0.3 1 445 43 43 LEU H H 8.289 0.020 1 446 43 43 LEU HA H 5.260 0.020 1 447 43 43 LEU HB2 H 1.952 0.020 2 448 43 43 LEU HB3 H 1.733 0.020 2 449 43 43 LEU HG H 2.141 0.020 1 450 43 43 LEU HD1 H 0.825 0.020 2 451 43 43 LEU HD2 H 0.778 0.020 2 452 43 43 LEU C C 177.389 0.3 1 453 43 43 LEU CA C 55.446 0.3 1 454 43 43 LEU CB C 42.879 0.3 1 455 43 43 LEU CG C 26.724 0.3 1 456 43 43 LEU CD1 C 26.050 0.3 1 457 43 43 LEU CD2 C 25.141 0.3 1 458 43 43 LEU N N 119.321 0.3 1 459 44 44 ALA H H 7.307 0.020 1 460 44 44 ALA HA H 4.232 0.020 1 461 44 44 ALA HB H 1.553 0.020 1 462 44 44 ALA C C 178.738 0.3 1 463 44 44 ALA CA C 54.353 0.3 1 464 44 44 ALA CB C 18.674 0.3 1 465 44 44 ALA N N 118.995 0.3 1 466 45 45 SER H H 7.772 0.020 1 467 45 45 SER HA H 4.761 0.020 1 468 45 45 SER HB2 H 3.981 0.020 2 469 45 45 SER HB3 H 3.891 0.020 2 470 45 45 SER C C 173.344 0.3 1 471 45 45 SER CA C 58.682 0.3 1 472 45 45 SER CB C 65.446 0.3 1 473 45 45 SER N N 108.530 0.3 1 474 46 46 LYS H H 8.096 0.020 1 475 46 46 LYS HA H 4.608 0.020 1 476 46 46 LYS HB2 H 2.031 0.020 2 477 46 46 LYS HB3 H 1.914 0.020 2 478 46 46 LYS HG2 H 1.540 0.020 2 479 46 46 LYS HG3 H 1.478 0.020 2 480 46 46 LYS HD2 H 1.829 0.020 1 481 46 46 LYS HD3 H 1.829 0.020 1 482 46 46 LYS HE2 H 3.048 0.020 1 483 46 46 LYS HE3 H 3.048 0.020 1 484 46 46 LYS C C 172.815 0.3 1 485 46 46 LYS CA C 55.601 0.3 1 486 46 46 LYS CB C 36.399 0.3 1 487 46 46 LYS CG C 24.637 0.3 1 488 46 46 LYS CD C 29.265 0.3 1 489 46 46 LYS CE C 42.180 0.3 1 490 46 46 LYS N N 122.965 0.3 1 491 47 47 THR H H 7.708 0.020 1 492 47 47 THR HA H 4.307 0.020 1 493 47 47 THR HB H 3.623 0.020 1 494 47 47 THR HG2 H 0.747 0.020 1 495 47 47 THR CA C 57.896 0.3 1 496 47 47 THR CB C 70.570 0.3 1 497 47 47 THR CG2 C 21.399 0.3 1 498 47 47 THR N N 111.524 0.3 1 499 48 48 PRO HA H 3.944 0.020 1 500 48 48 PRO HB2 H -0.333 0.020 2 501 48 48 PRO HB3 H 1.444 0.020 2 502 48 48 PRO HG2 H 0.964 0.020 2 503 48 48 PRO HG3 H 0.656 0.020 2 504 48 48 PRO HD2 H 2.644 0.020 2 505 48 48 PRO HD3 H 1.191 0.020 2 506 48 48 PRO C C 173.079 0.3 1 507 48 48 PRO CA C 60.922 0.3 1 508 48 48 PRO CB C 30.353 0.3 1 509 48 48 PRO CG C 25.700 0.3 1 510 48 48 PRO CD C 47.866 0.3 1 511 49 49 ASP H H 8.535 0.020 1 512 49 49 ASP HA H 4.460 0.020 1 513 49 49 ASP HB2 H 2.587 0.020 2 514 49 49 ASP HB3 H 2.550 0.020 2 515 49 49 ASP C C 175.591 0.3 1 516 49 49 ASP CA C 56.504 0.3 1 517 49 49 ASP CB C 42.625 0.3 1 518 49 49 ASP N N 115.001 0.3 1 519 50 50 VAL H H 7.194 0.020 1 520 50 50 VAL HA H 4.316 0.020 1 521 50 50 VAL HB H 1.910 0.020 1 522 50 50 VAL HG1 H 0.763 0.020 2 523 50 50 VAL HG2 H 0.733 0.020 2 524 50 50 VAL C C 171.572 0.3 1 525 50 50 VAL CA C 60.398 0.3 1 526 50 50 VAL CB C 34.650 0.3 1 527 50 50 VAL CG1 C 21.399 0.3 1 528 50 50 VAL CG2 C 22.229 0.3 1 529 50 50 VAL N N 111.832 0.3 1 530 51 51 LEU H H 8.049 0.020 1 531 51 51 LEU HA H 5.376 0.020 1 532 51 51 LEU HB2 H 1.776 0.020 2 533 51 51 LEU HB3 H 1.081 0.020 2 534 51 51 LEU HG H 1.462 0.020 1 535 51 51 LEU HD1 H 0.971 0.020 2 536 51 51 LEU HD2 H 0.820 0.020 2 537 51 51 LEU C C 173.264 0.3 1 538 51 51 LEU CA C 53.137 0.3 1 539 51 51 LEU CB C 46.680 0.3 1 540 51 51 LEU CG C 27.952 0.3 1 541 51 51 LEU CD1 C 25.762 0.3 1 542 51 51 LEU CD2 C 26.930 0.3 1 543 51 51 LEU N N 127.785 0.3 1 544 52 52 LEU H H 9.278 0.020 1 545 52 52 LEU HA H 5.312 0.020 1 546 52 52 LEU HB2 H 1.756 0.020 2 547 52 52 LEU HB3 H 1.362 0.020 2 548 52 52 LEU HG H 1.483 0.020 1 549 52 52 LEU HD1 H 0.713 0.020 2 550 52 52 LEU HD2 H 0.626 0.020 2 551 52 52 LEU C C 174.692 0.3 1 552 52 52 LEU CA C 54.313 0.3 1 553 52 52 LEU CB C 43.961 0.3 1 554 52 52 LEU CG C 28.688 0.3 1 555 52 52 LEU CD1 C 25.173 0.3 1 556 52 52 LEU CD2 C 26.202 0.3 1 557 52 52 LEU N N 128.943 0.3 1 558 53 53 SER H H 9.256 0.020 1 559 53 53 SER HA H 5.395 0.020 1 560 53 53 SER HB2 H 3.573 0.020 2 561 53 53 SER HB3 H 3.097 0.020 2 562 53 53 SER HG H 4.373 0.020 1 563 53 53 SER C C 173.608 0.3 1 564 53 53 SER CA C 56.226 0.3 1 565 53 53 SER CB C 65.753 0.3 1 566 53 53 SER N N 116.717 0.3 1 567 54 54 ASP H H 8.219 0.020 1 568 54 54 ASP HA H 5.622 0.020 1 569 54 54 ASP HB2 H 3.712 0.020 2 570 54 54 ASP HB3 H 2.928 0.020 2 571 54 54 ASP C C 175.723 0.3 1 572 54 54 ASP CA C 53.268 0.3 1 573 54 54 ASP CB C 44.386 0.3 1 574 54 54 ASP N N 127.909 0.3 1 575 55 55 ILE H H 7.812 0.020 1 576 55 55 ILE HA H 4.116 0.020 1 577 55 55 ILE HB H 1.958 0.020 1 578 55 55 ILE HG12 H 1.478 0.020 1 579 55 55 ILE HG13 H 1.478 0.020 1 580 55 55 ILE HG2 H 0.958 0.020 1 581 55 55 ILE HD1 H 0.849 0.020 1 582 55 55 ILE C C 176.913 0.3 1 583 55 55 ILE CA C 65.290 0.3 1 584 55 55 ILE CB C 38.487 0.3 1 585 55 55 ILE CG1 C 28.960 0.3 1 586 55 55 ILE CG2 C 17.460 0.3 1 587 55 55 ILE CD1 C 13.066 0.3 1 588 55 55 ILE N N 117.015 0.3 1 589 56 56 ARG H H 8.991 0.020 1 590 56 56 ARG HA H 4.379 0.020 1 591 56 56 ARG HB2 H 2.279 0.020 2 592 56 56 ARG HB3 H 1.816 0.020 2 593 56 56 ARG HG2 H 1.652 0.020 2 594 56 56 ARG HG3 H 1.579 0.020 2 595 56 56 ARG HD2 H 3.032 0.020 2 596 56 56 ARG HD3 H 2.882 0.020 2 597 56 56 ARG C C 172.788 0.3 1 598 56 56 ARG CA C 57.034 0.3 1 599 56 56 ARG CB C 27.600 0.3 1 600 56 56 ARG CG C 26.730 0.3 1 601 56 56 ARG CD C 43.273 0.3 1 602 56 56 ARG N N 117.365 0.3 1 603 57 57 MET H H 7.501 0.020 1 604 57 57 MET HA H 4.767 0.020 1 605 57 57 MET HB2 H 2.092 0.020 1 606 57 57 MET HB3 H 2.092 0.020 1 607 57 57 MET HG2 H 2.733 0.020 2 608 57 57 MET HG3 H 2.226 0.020 2 609 57 57 MET HE H 1.857 0.020 1 610 57 57 MET CA C 53.641 0.3 1 611 57 57 MET CB C 36.484 0.3 1 612 57 57 MET CG C 32.850 0.3 1 613 57 57 MET CE C 15.781 0.3 1 614 57 57 MET N N 129.539 0.3 1 615 58 58 PRO HA H 4.379 0.020 1 616 58 58 PRO HB2 H 2.321 0.020 1 617 58 58 PRO HB3 H 2.321 0.020 1 618 58 58 PRO HG2 H 2.189 0.020 2 619 58 58 PRO HG3 H 2.066 0.020 2 620 58 58 PRO HD2 H 3.796 0.020 2 621 58 58 PRO HD3 H 3.668 0.020 2 622 58 58 PRO C C 177.495 0.3 1 623 58 58 PRO CA C 63.104 0.3 1 624 58 58 PRO CB C 31.922 0.3 1 625 58 58 PRO CG C 27.586 0.3 1 626 58 58 PRO CD C 50.467 0.3 1 627 59 59 GLY H H 8.656 0.020 1 628 59 59 GLY HA2 H 4.222 0.020 2 629 59 59 GLY HA3 H 3.494 0.020 2 630 59 59 GLY C C 173.793 0.3 1 631 59 59 GLY CA C 46.430 0.3 1 632 59 59 GLY N N 112.312 0.3 1 633 60 60 MET H H 7.778 0.020 1 634 60 60 MET HA H 4.344 0.020 1 635 60 60 MET HB2 H 2.144 0.020 2 636 60 60 MET HB3 H 1.749 0.020 2 637 60 60 MET HG2 H 2.531 0.020 2 638 60 60 MET HG3 H 2.423 0.020 2 639 60 60 MET HE H 1.937 0.020 1 640 60 60 MET C C 174.190 0.3 1 641 60 60 MET CA C 55.871 0.3 1 642 60 60 MET CB C 34.955 0.3 1 643 60 60 MET CG C 30.724 0.3 1 644 60 60 MET CE C 16.259 0.3 1 645 60 60 MET N N 124.343 0.3 1 646 61 61 ASP H H 8.378 0.020 1 647 61 61 ASP HA H 4.870 0.020 1 648 61 61 ASP HB2 H 3.326 0.020 2 649 61 61 ASP HB3 H 2.779 0.020 2 650 61 61 ASP C C 176.966 0.3 1 651 61 61 ASP CA C 53.490 0.3 1 652 61 61 ASP CB C 42.347 0.3 1 653 61 61 ASP N N 124.993 0.3 1 654 62 62 GLY H H 10.153 0.020 1 655 62 62 GLY HA2 H 4.640 0.020 2 656 62 62 GLY HA3 H 3.756 0.020 2 657 62 62 GLY C C 175.935 0.3 1 658 62 62 GLY CA C 46.755 0.3 1 659 62 62 GLY N N 105.163 0.3 1 660 63 63 LEU H H 8.119 0.020 1 661 63 63 LEU HA H 4.293 0.020 1 662 63 63 LEU HB2 H 2.029 0.020 2 663 63 63 LEU HB3 H 1.466 0.020 2 664 63 63 LEU HG H 1.641 0.020 1 665 63 63 LEU HD1 H 0.959 0.020 2 666 63 63 LEU HD2 H 0.757 0.020 2 667 63 63 LEU C C 179.293 0.3 1 668 63 63 LEU CA C 57.148 0.3 1 669 63 63 LEU CB C 40.053 0.3 1 670 63 63 LEU CG C 27.789 0.3 1 671 63 63 LEU CD1 C 25.151 0.3 1 672 63 63 LEU CD2 C 22.217 0.3 1 673 63 63 LEU N N 120.509 0.3 1 674 64 64 ALA H H 8.303 0.020 1 675 64 64 ALA HA H 4.112 0.020 1 676 64 64 ALA HB H 1.503 0.020 1 677 64 64 ALA C C 181.223 0.3 1 678 64 64 ALA CA C 54.802 0.3 1 679 64 64 ALA CB C 18.133 0.3 1 680 64 64 ALA N N 126.234 0.3 1 681 65 65 LEU H H 8.398 0.020 1 682 65 65 LEU HA H 4.044 0.020 1 683 65 65 LEU HB2 H 2.058 0.020 2 684 65 65 LEU HB3 H 1.261 0.020 2 685 65 65 LEU HG H 1.485 0.020 1 686 65 65 LEU HD1 H 0.873 0.020 2 687 65 65 LEU HD2 H 0.918 0.020 2 688 65 65 LEU C C 177.548 0.3 1 689 65 65 LEU CA C 58.197 0.3 1 690 65 65 LEU CB C 41.727 0.3 1 691 65 65 LEU CG C 27.217 0.3 1 692 65 65 LEU CD1 C 23.371 0.3 1 693 65 65 LEU CD2 C 26.533 0.3 1 694 65 65 LEU N N 120.067 0.3 1 695 66 66 LEU H H 8.203 0.020 1 696 66 66 LEU HA H 3.848 0.020 1 697 66 66 LEU HB2 H 2.236 0.020 2 698 66 66 LEU HB3 H 1.688 0.020 2 699 66 66 LEU HG H 1.567 0.020 1 700 66 66 LEU HD1 H 0.787 0.020 2 701 66 66 LEU HD2 H 0.839 0.020 2 702 66 66 LEU C C 177.230 0.3 1 703 66 66 LEU CA C 58.736 0.3 1 704 66 66 LEU CB C 41.803 0.3 1 705 66 66 LEU CG C 26.786 0.3 1 706 66 66 LEU CD1 C 23.588 0.3 1 707 66 66 LEU CD2 C 27.402 0.3 1 708 66 66 LEU N N 120.890 0.3 1 709 67 67 LYS H H 7.667 0.020 1 710 67 67 LYS HA H 4.004 0.020 1 711 67 67 LYS HB2 H 1.931 0.020 1 712 67 67 LYS HB3 H 1.931 0.020 1 713 67 67 LYS HG2 H 1.591 0.020 2 714 67 67 LYS HG3 H 1.388 0.020 2 715 67 67 LYS HD2 H 1.683 0.020 1 716 67 67 LYS HD3 H 1.683 0.020 1 717 67 67 LYS HE2 H 2.934 0.020 1 718 67 67 LYS HE3 H 2.934 0.020 1 719 67 67 LYS C C 179.452 0.3 1 720 67 67 LYS CA C 59.733 0.3 1 721 67 67 LYS CB C 32.415 0.3 1 722 67 67 LYS CG C 24.949 0.3 1 723 67 67 LYS CD C 29.458 0.3 1 724 67 67 LYS CE C 41.902 0.3 1 725 67 67 LYS N N 116.919 0.3 1 726 68 68 GLN H H 7.677 0.020 1 727 68 68 GLN HA H 4.046 0.020 1 728 68 68 GLN HB2 H 2.177 0.020 2 729 68 68 GLN HB3 H 2.135 0.020 2 730 68 68 GLN HG2 H 2.447 0.020 2 731 68 68 GLN HG3 H 2.398 0.020 2 732 68 68 GLN HE21 H 6.720 0.020 1 733 68 68 GLN HE22 H 7.242 0.020 1 734 68 68 GLN C C 179.319 0.3 1 735 68 68 GLN CA C 58.820 0.3 1 736 68 68 GLN CB C 28.660 0.3 1 737 68 68 GLN CG C 34.193 0.3 1 738 68 68 GLN CD C 179.690 0.3 1 739 68 68 GLN N N 116.851 0.3 1 740 68 68 GLN NE2 N 110.865 0.3 1 741 69 69 ILE H H 8.918 0.020 1 742 69 69 ILE HA H 3.564 0.020 1 743 69 69 ILE HB H 1.988 0.020 1 744 69 69 ILE HG12 H 1.639 0.020 2 745 69 69 ILE HG13 H 1.079 0.020 2 746 69 69 ILE HG2 H 0.884 0.020 1 747 69 69 ILE HD1 H 0.650 0.020 1 748 69 69 ILE C C 177.786 0.3 1 749 69 69 ILE CA C 65.381 0.3 1 750 69 69 ILE CB C 37.186 0.3 1 751 69 69 ILE CG1 C 29.077 0.3 1 752 69 69 ILE CG2 C 17.835 0.3 1 753 69 69 ILE CD1 C 13.933 0.3 1 754 69 69 ILE N N 120.670 0.3 1 755 70 70 LYS H H 8.592 0.020 1 756 70 70 LYS HA H 3.936 0.020 1 757 70 70 LYS HB2 H 2.057 0.020 2 758 70 70 LYS HB3 H 1.827 0.020 2 759 70 70 LYS HG2 H 1.674 0.020 2 760 70 70 LYS HG3 H 1.645 0.020 2 761 70 70 LYS HD2 H 1.831 0.020 2 762 70 70 LYS HD3 H 1.783 0.020 2 763 70 70 LYS HE2 H 3.114 0.020 2 764 70 70 LYS HE3 H 2.948 0.020 2 765 70 70 LYS C C 177.944 0.3 1 766 70 70 LYS CA C 57.351 0.3 1 767 70 70 LYS CB C 31.440 0.3 1 768 70 70 LYS CG C 24.410 0.3 1 769 70 70 LYS CD C 28.408 0.3 1 770 70 70 LYS CE C 42.380 0.3 1 771 70 70 LYS N N 118.002 0.3 1 772 71 71 GLN H H 7.266 0.020 1 773 71 71 GLN HA H 4.063 0.020 1 774 71 71 GLN HB2 H 2.147 0.020 2 775 71 71 GLN HB3 H 2.101 0.020 2 776 71 71 GLN HG2 H 2.539 0.020 2 777 71 71 GLN HG3 H 2.395 0.020 2 778 71 71 GLN HE21 H 6.779 0.020 1 779 71 71 GLN HE22 H 7.357 0.020 1 780 71 71 GLN C C 177.019 0.3 1 781 71 71 GLN CA C 58.007 0.3 1 782 71 71 GLN CB C 29.168 0.3 1 783 71 71 GLN CG C 33.970 0.3 1 784 71 71 GLN CD C 179.954 0.3 1 785 71 71 GLN N N 114.891 0.3 1 786 71 71 GLN NE2 N 111.032 0.3 1 787 72 72 ARG H H 7.254 0.020 1 788 72 72 ARG HA H 4.130 0.020 1 789 72 72 ARG HB2 H 1.536 0.020 2 790 72 72 ARG HB3 H 1.515 0.020 2 791 72 72 ARG HG2 H 1.567 0.020 2 792 72 72 ARG HG3 H 1.451 0.020 2 793 72 72 ARG HD2 H 3.117 0.020 2 794 72 72 ARG HD3 H 3.013 0.020 2 795 72 72 ARG C C 175.803 0.3 1 796 72 72 ARG CA C 57.174 0.3 1 797 72 72 ARG CB C 32.638 0.3 1 798 72 72 ARG CG C 27.368 0.3 1 799 72 72 ARG CD C 43.321 0.3 1 800 72 72 ARG N N 116.364 0.3 1 801 73 73 HIS H H 8.828 0.020 1 802 73 73 HIS HA H 4.994 0.020 1 803 73 73 HIS HB2 H 2.957 0.020 2 804 73 73 HIS HB3 H 2.925 0.020 2 805 73 73 HIS HD2 H 6.585 0.020 1 806 73 73 HIS HE1 H 7.771 0.020 1 807 73 73 HIS CA C 53.252 0.3 1 808 73 73 HIS CB C 31.026 0.3 1 809 73 73 HIS CD2 C 121.064 0.3 1 810 73 73 HIS CE1 C 139.369 0.3 1 811 73 73 HIS N N 116.981 0.3 1 812 74 74 PRO HA H 4.435 0.020 1 813 74 74 PRO HB2 H 1.939 0.020 2 814 74 74 PRO HB3 H 2.496 0.020 2 815 74 74 PRO HG2 H 2.048 0.020 2 816 74 74 PRO HG3 H 1.947 0.020 2 817 74 74 PRO HD2 H 3.639 0.020 2 818 74 74 PRO HD3 H 3.245 0.020 2 819 74 74 PRO C C 178.156 0.3 1 820 74 74 PRO CA C 65.284 0.3 1 821 74 74 PRO CB C 32.130 0.3 1 822 74 74 PRO CG C 27.270 0.3 1 823 74 74 PRO CD C 50.060 0.3 1 824 75 75 MET H H 8.648 0.020 1 825 75 75 MET HA H 4.587 0.020 1 826 75 75 MET HB2 H 2.240 0.020 2 827 75 75 MET HB3 H 1.986 0.020 2 828 75 75 MET HG2 H 2.682 0.020 2 829 75 75 MET HG3 H 2.460 0.020 2 830 75 75 MET HE H 2.106 0.020 1 831 75 75 MET C C 176.067 0.3 1 832 75 75 MET CA C 54.304 0.3 1 833 75 75 MET CB C 31.623 0.3 1 834 75 75 MET CG C 32.720 0.3 1 835 75 75 MET CE C 16.940 0.3 1 836 75 75 MET N N 114.676 0.3 1 837 76 76 LEU H H 7.342 0.020 1 838 76 76 LEU HA H 4.293 0.020 1 839 76 76 LEU HB2 H 1.802 0.020 2 840 76 76 LEU HB3 H 1.286 0.020 2 841 76 76 LEU HG H 1.279 0.020 1 842 76 76 LEU HD1 H 0.402 0.020 2 843 76 76 LEU HD2 H 0.410 0.020 2 844 76 76 LEU CA C 53.472 0.3 1 845 76 76 LEU CB C 43.540 0.3 1 846 76 76 LEU CG C 27.000 0.3 1 847 76 76 LEU CD1 C 25.213 0.3 1 848 76 76 LEU CD2 C 25.321 0.3 1 849 76 76 LEU N N 125.720 0.3 1 850 77 77 PRO HA H 4.440 0.020 1 851 77 77 PRO HB2 H 1.360 0.020 2 852 77 77 PRO HB3 H 1.693 0.020 2 853 77 77 PRO HG2 H 2.108 0.020 2 854 77 77 PRO HG3 H 1.696 0.020 2 855 77 77 PRO HD2 H 3.976 0.020 2 856 77 77 PRO HD3 H 3.893 0.020 2 857 77 77 PRO C C 175.062 0.3 1 858 77 77 PRO CA C 62.841 0.3 1 859 77 77 PRO CB C 31.903 0.3 1 860 77 77 PRO CG C 27.743 0.3 1 861 77 77 PRO CD C 51.131 0.3 1 862 78 78 VAL H H 8.369 0.020 1 863 78 78 VAL HA H 5.093 0.020 1 864 78 78 VAL HB H 1.874 0.020 1 865 78 78 VAL HG1 H 0.797 0.020 2 866 78 78 VAL HG2 H 0.918 0.020 2 867 78 78 VAL C C 175.776 0.3 1 868 78 78 VAL CA C 60.083 0.3 1 869 78 78 VAL CB C 34.245 0.3 1 870 78 78 VAL CG1 C 21.287 0.3 1 871 78 78 VAL CG2 C 21.481 0.3 1 872 78 78 VAL N N 123.116 0.3 1 873 79 79 ILE H H 9.436 0.020 1 874 79 79 ILE HA H 4.499 0.020 1 875 79 79 ILE HB H 1.616 0.020 1 876 79 79 ILE HG12 H 1.582 0.020 2 877 79 79 ILE HG13 H 0.924 0.020 2 878 79 79 ILE HG2 H 0.626 0.020 1 879 79 79 ILE HD1 H 0.703 0.020 1 880 79 79 ILE C C 174.295 0.3 1 881 79 79 ILE CA C 60.030 0.3 1 882 79 79 ILE CB C 40.222 0.3 1 883 79 79 ILE CG1 C 29.214 0.3 1 884 79 79 ILE CG2 C 18.322 0.3 1 885 79 79 ILE CD1 C 14.765 0.3 1 886 79 79 ILE N N 129.166 0.3 1 887 80 80 ILE H H 7.920 0.020 1 888 80 80 ILE HA H 5.253 0.020 1 889 80 80 ILE HB H 1.831 0.020 1 890 80 80 ILE HG12 H 1.526 0.020 2 891 80 80 ILE HG13 H 1.247 0.020 2 892 80 80 ILE HG2 H 0.838 0.020 1 893 80 80 ILE HD1 H 0.694 0.020 1 894 80 80 ILE C C 173.449 0.3 1 895 80 80 ILE CA C 56.265 0.3 1 896 80 80 ILE CB C 38.176 0.3 1 897 80 80 ILE CG1 C 27.082 0.3 1 898 80 80 ILE CG2 C 18.177 0.3 1 899 80 80 ILE CD1 C 9.407 0.3 1 900 80 80 ILE N N 128.234 0.3 1 901 81 81 MET H H 9.028 0.020 1 902 81 81 MET HA H 5.489 0.020 1 903 81 81 MET HB2 H 1.790 0.020 1 904 81 81 MET HB3 H 1.790 0.020 1 905 81 81 MET HG2 H 2.462 0.020 2 906 81 81 MET HG3 H 2.325 0.020 2 907 81 81 MET HE H 2.075 0.020 1 908 81 81 MET C C 173.820 0.3 1 909 81 81 MET CA C 52.889 0.3 1 910 81 81 MET CB C 36.663 0.3 1 911 81 81 MET CG C 31.976 0.3 1 912 81 81 MET CE C 18.392 0.3 1 913 81 81 MET N N 124.079 0.3 1 914 82 82 THR H H 7.098 0.020 1 915 82 82 THR HA H 5.134 0.020 1 916 82 82 THR HB H 4.437 0.020 1 917 82 82 THR HG2 H 1.116 0.020 1 918 82 82 THR C C 172.550 0.3 1 919 82 82 THR CA C 60.642 0.3 1 920 82 82 THR CB C 68.843 0.3 1 921 82 82 THR CG2 C 18.291 0.3 1 922 82 82 THR N N 108.434 0.3 1 923 83 83 ALA H H 8.590 0.020 1 924 83 83 ALA HA H 4.678 0.020 1 925 83 83 ALA HB H 1.360 0.020 1 926 83 83 ALA C C 177.812 0.3 1 927 83 83 ALA CA C 52.457 0.3 1 928 83 83 ALA CB C 19.396 0.3 1 929 83 83 ALA N N 128.991 0.3 1 930 84 84 HIS H H 8.865 0.020 1 931 84 84 HIS HA H 4.576 0.020 1 932 84 84 HIS HB2 H 3.238 0.020 2 933 84 84 HIS HB3 H 3.204 0.020 2 934 84 84 HIS HD2 H 7.178 0.020 1 935 84 84 HIS HE1 H 7.955 0.020 1 936 84 84 HIS C C 175.512 0.3 1 937 84 84 HIS CA C 56.674 0.3 1 938 84 84 HIS CB C 29.589 0.3 1 939 84 84 HIS CD2 C 121.242 0.3 1 940 84 84 HIS CE1 C 138.606 0.3 1 941 84 84 HIS N N 121.904 0.3 1 942 85 85 SER H H 8.016 0.020 1 943 85 85 SER HA H 4.303 0.020 1 944 85 85 SER HB2 H 3.960 0.020 2 945 85 85 SER HB3 H 3.878 0.020 2 946 85 85 SER C C 174.560 0.3 1 947 85 85 SER CA C 58.970 0.3 1 948 85 85 SER CB C 62.829 0.3 1 949 85 85 SER N N 114.679 0.3 1 950 86 86 ASP H H 8.054 0.020 1 951 86 86 ASP HA H 4.761 0.020 1 952 86 86 ASP HB2 H 2.946 0.020 2 953 86 86 ASP HB3 H 2.728 0.020 2 954 86 86 ASP C C 176.094 0.3 1 955 86 86 ASP CA C 53.627 0.3 1 956 86 86 ASP CB C 40.942 0.3 1 957 86 86 ASP N N 122.325 0.3 1 958 87 87 LEU H H 8.005 0.020 1 959 87 87 LEU HA H 4.069 0.020 1 960 87 87 LEU HB2 H 1.706 0.020 2 961 87 87 LEU HB3 H 1.602 0.020 2 962 87 87 LEU HG H 1.689 0.020 1 963 87 87 LEU HD1 H 0.907 0.020 2 964 87 87 LEU HD2 H 0.835 0.020 2 965 87 87 LEU C C 177.892 0.3 1 966 87 87 LEU CA C 57.182 0.3 1 967 87 87 LEU CB C 42.015 0.3 1 968 87 87 LEU CG C 26.882 0.3 1 969 87 87 LEU CD1 C 24.737 0.3 1 970 87 87 LEU CD2 C 23.808 0.3 1 971 87 87 LEU N N 122.041 0.3 1 972 88 88 ASP H H 8.243 0.020 1 973 88 88 ASP HA H 4.370 0.020 1 974 88 88 ASP HB2 H 2.678 0.020 2 975 88 88 ASP HB3 H 2.603 0.020 2 976 88 88 ASP C C 178.103 0.3 1 977 88 88 ASP CA C 56.342 0.3 1 978 88 88 ASP CB C 40.280 0.3 1 979 88 88 ASP N N 118.050 0.3 1 980 89 89 ALA H H 7.890 0.020 1 981 89 89 ALA HA H 4.038 0.020 1 982 89 89 ALA HB H 1.446 0.020 1 983 89 89 ALA C C 178.526 0.3 1 984 89 89 ALA CA C 54.655 0.3 1 985 89 89 ALA CB C 18.809 0.3 1 986 89 89 ALA N N 122.780 0.3 1 987 90 90 ALA H H 7.513 0.020 1 988 90 90 ALA HA H 3.254 0.020 1 989 90 90 ALA HB H 0.936 0.020 1 990 90 90 ALA C C 178.976 0.3 1 991 90 90 ALA CA C 55.050 0.3 1 992 90 90 ALA CB C 17.725 0.3 1 993 90 90 ALA N N 120.040 0.3 1 994 91 91 VAL H H 7.877 0.020 1 995 91 91 VAL HA H 3.637 0.020 1 996 91 91 VAL HB H 2.053 0.020 1 997 91 91 VAL HG1 H 0.905 0.020 2 998 91 91 VAL HG2 H 0.952 0.020 2 999 91 91 VAL C C 178.632 0.3 1 1000 91 91 VAL CA C 65.971 0.3 1 1001 91 91 VAL CB C 31.623 0.3 1 1002 91 91 VAL CG1 C 21.050 0.3 1 1003 91 91 VAL CG2 C 22.376 0.3 1 1004 91 91 VAL N N 116.635 0.3 1 1005 92 92 SER H H 7.912 0.020 1 1006 92 92 SER HA H 4.215 0.020 1 1007 92 92 SER HB2 H 3.949 0.020 2 1008 92 92 SER HB3 H 3.855 0.020 2 1009 92 92 SER C C 175.961 0.3 1 1010 92 92 SER CA C 61.401 0.3 1 1011 92 92 SER CB C 62.966 0.3 1 1012 92 92 SER N N 115.439 0.3 1 1013 93 93 ALA H H 8.199 0.020 1 1014 93 93 ALA HA H 3.786 0.020 1 1015 93 93 ALA HB H 1.259 0.020 1 1016 93 93 ALA C C 179.293 0.3 1 1017 93 93 ALA CA C 55.172 0.3 1 1018 93 93 ALA CB C 17.161 0.3 1 1019 93 93 ALA N N 122.647 0.3 1 1020 94 94 TYR H H 8.065 0.020 1 1021 94 94 TYR HA H 4.283 0.020 1 1022 94 94 TYR HB2 H 3.108 0.020 2 1023 94 94 TYR HB3 H 2.969 0.020 2 1024 94 94 TYR HD1 H 7.026 0.020 1 1025 94 94 TYR HD2 H 7.026 0.020 1 1026 94 94 TYR HE1 H 6.673 0.020 1 1027 94 94 TYR HE2 H 6.673 0.020 1 1028 94 94 TYR C C 179.954 0.3 1 1029 94 94 TYR CA C 61.216 0.3 1 1030 94 94 TYR CB C 37.716 0.3 1 1031 94 94 TYR CD1 C 133.055 0.3 1 1032 94 94 TYR CD2 C 133.055 0.3 1 1033 94 94 TYR CE1 C 117.945 0.3 1 1034 94 94 TYR CE2 C 117.945 0.3 1 1035 94 94 TYR N N 117.796 0.3 1 1036 95 95 GLN H H 8.513 0.020 1 1037 95 95 GLN HA H 4.005 0.020 1 1038 95 95 GLN HB2 H 2.278 0.020 2 1039 95 95 GLN HB3 H 2.135 0.020 2 1040 95 95 GLN HG2 H 2.611 0.020 1 1041 95 95 GLN HG3 H 2.611 0.020 1 1042 95 95 GLN HE21 H 6.776 0.020 1 1043 95 95 GLN HE22 H 7.408 0.020 1 1044 95 95 GLN C C 177.680 0.3 1 1045 95 95 GLN CA C 58.471 0.3 1 1046 95 95 GLN CB C 28.334 0.3 1 1047 95 95 GLN CG C 34.175 0.3 1 1048 95 95 GLN N N 120.057 0.3 1 1049 95 95 GLN NE2 N 110.973 0.3 1 1050 96 96 GLN H H 7.774 0.020 1 1051 96 96 GLN HA H 4.321 0.020 1 1052 96 96 GLN HB2 H 2.362 0.020 2 1053 96 96 GLN HB3 H 1.909 0.020 2 1054 96 96 GLN HG2 H 2.444 0.020 1 1055 96 96 GLN HG3 H 2.444 0.020 1 1056 96 96 GLN HE21 H 6.778 0.020 1 1057 96 96 GLN HE22 H 7.303 0.020 1 1058 96 96 GLN C C 175.538 0.3 1 1059 96 96 GLN CA C 55.379 0.3 1 1060 96 96 GLN CB C 28.915 0.3 1 1061 96 96 GLN CG C 34.350 0.3 1 1062 96 96 GLN CD C 178.870 0.3 1 1063 96 96 GLN N N 115.323 0.3 1 1064 96 96 GLN NE2 N 111.550 0.3 1 1065 97 97 GLY H H 7.576 0.020 1 1066 97 97 GLY HA2 H 4.294 0.020 2 1067 97 97 GLY HA3 H 3.810 0.020 2 1068 97 97 GLY C C 175.168 0.3 1 1069 97 97 GLY CA C 45.491 0.3 1 1070 97 97 GLY N N 104.173 0.3 1 1071 98 98 ALA H H 8.358 0.020 1 1072 98 98 ALA HA H 4.266 0.020 1 1073 98 98 ALA HB H 1.200 0.020 1 1074 98 98 ALA C C 176.067 0.3 1 1075 98 98 ALA CA C 53.008 0.3 1 1076 98 98 ALA CB C 18.556 0.3 1 1077 98 98 ALA N N 123.484 0.3 1 1078 99 99 PHE H H 9.477 0.020 1 1079 99 99 PHE HA H 4.259 0.020 1 1080 99 99 PHE HB2 H 3.374 0.020 2 1081 99 99 PHE HB3 H 2.510 0.020 2 1082 99 99 PHE HD1 H 7.117 0.020 1 1083 99 99 PHE HD2 H 7.117 0.020 1 1084 99 99 PHE HE1 H 6.932 0.020 1 1085 99 99 PHE HE2 H 6.932 0.020 1 1086 99 99 PHE HZ H 6.982 0.020 1 1087 99 99 PHE C C 175.432 0.3 1 1088 99 99 PHE CA C 60.274 0.3 1 1089 99 99 PHE CB C 40.375 0.3 1 1090 99 99 PHE CD1 C 131.782 0.3 1 1091 99 99 PHE CD2 C 131.782 0.3 1 1092 99 99 PHE CE1 C 133.675 0.3 1 1093 99 99 PHE CE2 C 133.675 0.3 1 1094 99 99 PHE CZ C 129.722 0.3 1 1095 99 99 PHE N N 123.551 0.3 1 1096 100 100 ASP H H 7.683 0.020 1 1097 100 100 ASP HA H 4.547 0.020 1 1098 100 100 ASP HB2 H 2.530 0.020 2 1099 100 100 ASP HB3 H 2.412 0.020 2 1100 100 100 ASP C C 173.053 0.3 1 1101 100 100 ASP CA C 52.527 0.3 1 1102 100 100 ASP CB C 44.789 0.3 1 1103 100 100 ASP N N 110.678 0.3 1 1104 101 101 TYR H H 9.874 0.020 1 1105 101 101 TYR HA H 5.425 0.020 1 1106 101 101 TYR HB2 H 2.805 0.020 2 1107 101 101 TYR HB3 H 2.521 0.020 2 1108 101 101 TYR HD1 H 6.764 0.020 1 1109 101 101 TYR HD2 H 6.764 0.020 1 1110 101 101 TYR HE1 H 6.537 0.020 1 1111 101 101 TYR HE2 H 6.537 0.020 1 1112 101 101 TYR C C 172.550 0.3 1 1113 101 101 TYR CA C 55.865 0.3 1 1114 101 101 TYR CB C 41.760 0.3 1 1115 101 101 TYR CD1 C 132.916 0.3 1 1116 101 101 TYR CD2 C 132.916 0.3 1 1117 101 101 TYR CE1 C 117.622 0.3 1 1118 101 101 TYR CE2 C 117.622 0.3 1 1119 101 101 TYR N N 122.174 0.3 1 1120 102 102 LEU H H 8.974 0.020 1 1121 102 102 LEU HA H 4.677 0.020 1 1122 102 102 LEU HB2 H 1.434 0.020 2 1123 102 102 LEU HB3 H 0.772 0.020 2 1124 102 102 LEU HG H 1.202 0.020 1 1125 102 102 LEU HD1 H 0.547 0.020 2 1126 102 102 LEU HD2 H 0.127 0.020 2 1127 102 102 LEU CA C 50.418 0.3 1 1128 102 102 LEU CB C 45.066 0.3 1 1129 102 102 LEU CG C 26.142 0.3 1 1130 102 102 LEU CD1 C 23.035 0.3 1 1131 102 102 LEU CD2 C 24.916 0.3 1 1132 102 102 LEU N N 129.337 0.3 1 1133 103 103 PRO HA H 4.552 0.020 1 1134 103 103 PRO HB2 H 1.846 0.020 2 1135 103 103 PRO HB3 H 2.258 0.020 2 1136 103 103 PRO HG2 H 2.153 0.020 2 1137 103 103 PRO HG3 H 1.866 0.020 2 1138 103 103 PRO HD2 H 3.681 0.020 2 1139 103 103 PRO HD3 H 3.466 0.020 2 1140 103 103 PRO C C 176.067 0.3 1 1141 103 103 PRO CA C 61.951 0.3 1 1142 103 103 PRO CB C 31.829 0.3 1 1143 103 103 PRO CG C 27.288 0.3 1 1144 103 103 PRO CD C 50.400 0.3 1 1145 104 104 LYS H H 8.013 0.020 1 1146 104 104 LYS HA H 4.459 0.020 1 1147 104 104 LYS HB2 H 1.769 0.020 2 1148 104 104 LYS HB3 H 1.282 0.020 2 1149 104 104 LYS HG2 H 1.424 0.020 2 1150 104 104 LYS HG3 H 1.345 0.020 2 1151 104 104 LYS HD2 H 1.824 0.020 2 1152 104 104 LYS HD3 H 1.581 0.020 2 1153 104 104 LYS HE2 H 2.839 0.020 2 1154 104 104 LYS HE3 H 2.671 0.020 2 1155 104 104 LYS CA C 53.204 0.3 1 1156 104 104 LYS CB C 34.500 0.3 1 1157 104 104 LYS CG C 25.630 0.3 1 1158 104 104 LYS CD C 31.217 0.3 1 1159 104 104 LYS CE C 41.502 0.3 1 1160 104 104 LYS N N 118.403 0.3 1 1161 105 105 PRO HA H 4.258 0.020 1 1162 105 105 PRO HB2 H 2.198 0.020 1 1163 105 105 PRO HB3 H 2.198 0.020 1 1164 105 105 PRO HG2 H 1.890 0.020 1 1165 105 105 PRO HG3 H 1.890 0.020 1 1166 105 105 PRO HD2 H 3.625 0.020 2 1167 105 105 PRO HD3 H 3.445 0.020 2 1168 105 105 PRO C C 174.930 0.3 1 1169 105 105 PRO CA C 62.213 0.3 1 1170 105 105 PRO CB C 34.151 0.3 1 1171 105 105 PRO CG C 24.807 0.3 1 1172 105 105 PRO CD C 50.240 0.3 1 1173 106 106 PHE H H 7.399 0.020 1 1174 106 106 PHE HA H 5.169 0.020 1 1175 106 106 PHE HB2 H 3.326 0.020 2 1176 106 106 PHE HB3 H 3.097 0.020 2 1177 106 106 PHE HD1 H 6.918 0.020 1 1178 106 106 PHE HD2 H 6.918 0.020 1 1179 106 106 PHE HE1 H 7.114 0.020 1 1180 106 106 PHE HE2 H 7.114 0.020 1 1181 106 106 PHE HZ H 7.047 0.020 1 1182 106 106 PHE C C 175.194 0.3 1 1183 106 106 PHE CA C 53.244 0.3 1 1184 106 106 PHE CB C 40.477 0.3 1 1185 106 106 PHE CD1 C 133.609 0.3 1 1186 106 106 PHE CD2 C 133.609 0.3 1 1187 106 106 PHE CE1 C 130.470 0.3 1 1188 106 106 PHE CE2 C 130.470 0.3 1 1189 106 106 PHE CZ C 128.581 0.3 1 1190 106 106 PHE N N 116.796 0.3 1 1191 107 107 ASP H H 9.047 0.020 1 1192 107 107 ASP HA H 4.823 0.020 1 1193 107 107 ASP HB2 H 2.807 0.020 2 1194 107 107 ASP HB3 H 2.667 0.020 2 1195 107 107 ASP C C 177.812 0.3 1 1196 107 107 ASP CA C 53.392 0.3 1 1197 107 107 ASP CB C 42.455 0.3 1 1198 107 107 ASP N N 122.212 0.3 1 1199 108 108 ILE H H 8.898 0.020 1 1200 108 108 ILE HA H 3.949 0.020 1 1201 108 108 ILE HB H 1.963 0.020 1 1202 108 108 ILE HG12 H 1.476 0.020 2 1203 108 108 ILE HG13 H 1.405 0.020 2 1204 108 108 ILE HG2 H 0.954 0.020 1 1205 108 108 ILE HD1 H 0.925 0.020 1 1206 108 108 ILE C C 176.226 0.3 1 1207 108 108 ILE CA C 63.105 0.3 1 1208 108 108 ILE CB C 37.665 0.3 1 1209 108 108 ILE CG1 C 28.655 0.3 1 1210 108 108 ILE CG2 C 18.785 0.3 1 1211 108 108 ILE CD1 C 13.628 0.3 1 1212 108 108 ILE N N 127.963 0.3 1 1213 109 109 ASP H H 8.098 0.020 1 1214 109 109 ASP HA H 4.393 0.020 1 1215 109 109 ASP HB2 H 2.746 0.020 2 1216 109 109 ASP HB3 H 2.600 0.020 2 1217 109 109 ASP C C 179.848 0.3 1 1218 109 109 ASP CA C 57.483 0.3 1 1219 109 109 ASP CB C 39.986 0.3 1 1220 109 109 ASP N N 119.804 0.3 1 1221 110 110 GLU H H 8.059 0.020 1 1222 110 110 GLU HA H 4.085 0.020 1 1223 110 110 GLU HB2 H 2.221 0.020 2 1224 110 110 GLU HB3 H 2.151 0.020 2 1225 110 110 GLU HG2 H 2.384 0.020 2 1226 110 110 GLU HG3 H 2.246 0.020 2 1227 110 110 GLU C C 178.976 0.3 1 1228 110 110 GLU CA C 58.790 0.3 1 1229 110 110 GLU CB C 29.330 0.3 1 1230 110 110 GLU CG C 36.270 0.3 1 1231 110 110 GLU N N 121.667 0.3 1 1232 111 111 ALA H H 7.903 0.020 1 1233 111 111 ALA HA H 3.758 0.020 1 1234 111 111 ALA HB H 0.963 0.020 1 1235 111 111 ALA C C 178.605 0.3 1 1236 111 111 ALA CA C 55.320 0.3 1 1237 111 111 ALA CB C 18.174 0.3 1 1238 111 111 ALA N N 122.208 0.3 1 1239 112 112 VAL H H 8.032 0.020 1 1240 112 112 VAL HA H 3.194 0.020 1 1241 112 112 VAL HB H 2.061 0.020 1 1242 112 112 VAL HG1 H 0.797 0.020 2 1243 112 112 VAL HG2 H 0.904 0.020 2 1244 112 112 VAL C C 177.230 0.3 1 1245 112 112 VAL CA C 67.154 0.3 1 1246 112 112 VAL CB C 31.538 0.3 1 1247 112 112 VAL CG1 C 21.338 0.3 1 1248 112 112 VAL CG2 C 22.912 0.3 1 1249 112 112 VAL N N 116.429 0.3 1 1250 113 113 ALA H H 7.723 0.020 1 1251 113 113 ALA HA H 4.159 0.020 1 1252 113 113 ALA HB H 1.461 0.020 1 1253 113 113 ALA C C 180.589 0.3 1 1254 113 113 ALA CA C 54.902 0.3 1 1255 113 113 ALA CB C 17.980 0.3 1 1256 113 113 ALA N N 120.198 0.3 1 1257 114 114 LEU H H 7.928 0.020 1 1258 114 114 LEU HA H 4.102 0.020 1 1259 114 114 LEU HB2 H 1.774 0.020 1 1260 114 114 LEU HB3 H 1.774 0.020 1 1261 114 114 LEU HG H 1.280 0.020 1 1262 114 114 LEU HD1 H 0.982 0.020 2 1263 114 114 LEU HD2 H 0.878 0.020 2 1264 114 114 LEU C C 178.605 0.3 1 1265 114 114 LEU CA C 58.181 0.3 1 1266 114 114 LEU CB C 42.032 0.3 1 1267 114 114 LEU CG C 27.132 0.3 1 1268 114 114 LEU CD1 C 24.719 0.3 1 1269 114 114 LEU CD2 C 26.095 0.3 1 1270 114 114 LEU N N 120.742 0.3 1 1271 115 115 VAL H H 7.846 0.020 1 1272 115 115 VAL HA H 3.250 0.020 1 1273 115 115 VAL HB H 2.176 0.020 1 1274 115 115 VAL HG1 H 0.748 0.020 2 1275 115 115 VAL HG2 H 0.884 0.020 2 1276 115 115 VAL C C 177.548 0.3 1 1277 115 115 VAL CA C 67.168 0.3 1 1278 115 115 VAL CB C 30.760 0.3 1 1279 115 115 VAL CG1 C 22.845 0.3 1 1280 115 115 VAL CG2 C 23.923 0.3 1 1281 115 115 VAL N N 119.478 0.3 1 1282 116 116 GLU H H 8.462 0.020 1 1283 116 116 GLU HA H 3.809 0.020 1 1284 116 116 GLU HB2 H 2.148 0.020 2 1285 116 116 GLU HB3 H 1.984 0.020 2 1286 116 116 GLU HG2 H 2.475 0.020 2 1287 116 116 GLU HG3 H 2.060 0.020 2 1288 116 116 GLU C C 179.557 0.3 1 1289 116 116 GLU CA C 59.974 0.3 1 1290 116 116 GLU CB C 29.084 0.3 1 1291 116 116 GLU CG C 36.450 0.3 1 1292 116 116 GLU N N 117.570 0.3 1 1293 117 117 ARG H H 8.090 0.020 1 1294 117 117 ARG HA H 4.109 0.020 1 1295 117 117 ARG HB2 H 2.134 0.020 1 1296 117 117 ARG HB3 H 2.134 0.020 1 1297 117 117 ARG HG2 H 1.924 0.020 2 1298 117 117 ARG HG3 H 1.709 0.020 2 1299 117 117 ARG HD2 H 3.297 0.020 1 1300 117 117 ARG HD3 H 3.297 0.020 1 1301 117 117 ARG C C 178.500 0.3 1 1302 117 117 ARG CA C 59.411 0.3 1 1303 117 117 ARG CB C 30.414 0.3 1 1304 117 117 ARG CG C 28.244 0.3 1 1305 117 117 ARG CD C 44.024 0.3 1 1306 117 117 ARG N N 120.263 0.3 1 1307 118 118 ALA H H 8.005 0.020 1 1308 118 118 ALA HA H 3.467 0.020 1 1309 118 118 ALA HB H 0.940 0.020 1 1310 118 118 ALA C C 178.632 0.3 1 1311 118 118 ALA CA C 54.739 0.3 1 1312 118 118 ALA CB C 18.280 0.3 1 1313 118 118 ALA N N 122.157 0.3 1 1314 119 119 ILE H H 7.788 0.020 1 1315 119 119 ILE HA H 3.706 0.020 1 1316 119 119 ILE HB H 1.848 0.020 1 1317 119 119 ILE HG12 H 1.598 0.020 2 1318 119 119 ILE HG13 H 0.905 0.020 2 1319 119 119 ILE HG2 H 0.792 0.020 1 1320 119 119 ILE HD1 H 0.632 0.020 1 1321 119 119 ILE C C 177.442 0.3 1 1322 119 119 ILE CA C 63.910 0.3 1 1323 119 119 ILE CB C 37.939 0.3 1 1324 119 119 ILE CG1 C 28.939 0.3 1 1325 119 119 ILE CG2 C 17.223 0.3 1 1326 119 119 ILE CD1 C 14.054 0.3 1 1327 119 119 ILE N N 115.429 0.3 1 1328 120 120 SER H H 7.881 0.020 1 1329 120 120 SER HA H 4.285 0.020 1 1330 120 120 SER HB2 H 3.941 0.020 1 1331 120 120 SER HB3 H 3.941 0.020 1 1332 120 120 SER C C 175.142 0.3 1 1333 120 120 SER CA C 59.871 0.3 1 1334 120 120 SER CB C 63.522 0.3 1 1335 120 120 SER N N 114.902 0.3 1 1336 121 121 HIS H H 7.960 0.020 1 1337 121 121 HIS HA H 4.439 0.020 1 1338 121 121 HIS HB2 H 3.214 0.020 2 1339 121 121 HIS HB3 H 3.145 0.020 2 1340 121 121 HIS HD2 H 6.750 0.020 1 1341 121 121 HIS HE1 H 8.157 0.020 1 1342 121 121 HIS C C 174.957 0.3 1 1343 121 121 HIS CA C 57.362 0.3 1 1344 121 121 HIS CB C 29.496 0.3 1 1345 121 121 HIS CD2 C 120.498 0.3 1 1346 121 121 HIS CE1 C 137.472 0.3 1 1347 121 121 HIS N N 119.927 0.3 1 1348 122 122 TYR H H 7.776 0.020 1 1349 122 122 TYR HA H 4.455 0.020 1 1350 122 122 TYR HB2 H 3.108 0.020 2 1351 122 122 TYR HB3 H 2.914 0.020 2 1352 122 122 TYR HD1 H 7.201 0.020 1 1353 122 122 TYR HD2 H 7.201 0.020 1 1354 122 122 TYR HE1 H 6.774 0.020 1 1355 122 122 TYR HE2 H 6.774 0.020 1 1356 122 122 TYR C C 175.353 0.3 1 1357 122 122 TYR CA C 58.528 0.3 1 1358 122 122 TYR CB C 38.726 0.3 1 1359 122 122 TYR CD1 C 133.390 0.3 1 1360 122 122 TYR CD2 C 133.390 0.3 1 1361 122 122 TYR CE1 C 118.295 0.3 1 1362 122 122 TYR CE2 C 118.295 0.3 1 1363 122 122 TYR N N 118.745 0.3 1 1364 123 123 GLN H H 7.904 0.020 1 1365 123 123 GLN HA H 4.294 0.020 1 1366 123 123 GLN HB2 H 2.080 0.020 2 1367 123 123 GLN HB3 H 1.954 0.020 2 1368 123 123 GLN HG2 H 2.314 0.020 1 1369 123 123 GLN HG3 H 2.314 0.020 1 1370 123 123 GLN HE21 H 6.791 0.020 1 1371 123 123 GLN HE22 H 7.521 0.020 1 1372 123 123 GLN C C 174.560 0.3 1 1373 123 123 GLN CA C 55.658 0.3 1 1374 123 123 GLN CB C 29.877 0.3 1 1375 123 123 GLN CG C 34.030 0.3 1 1376 123 123 GLN N N 121.424 0.3 1 1377 123 123 GLN NE2 N 112.143 0.3 1 1378 124 124 GLU H H 7.868 0.020 1 1379 124 124 GLU HA H 4.065 0.020 1 1380 124 124 GLU HB2 H 1.883 0.020 1 1381 124 124 GLU HB3 H 1.883 0.020 1 1382 124 124 GLU HG2 H 2.216 0.020 1 1383 124 124 GLU HG3 H 2.216 0.020 1 1384 124 124 GLU CA C 58.065 0.3 1 1385 124 124 GLU CB C 31.056 0.3 1 1386 124 124 GLU CG C 36.685 0.3 1 1387 124 124 GLU N N 127.422 0.3 1 stop_ save_