data_4935 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone Assignments for Af19 ; _BMRB_accession_number 4935 _BMRB_flat_file_name bmr4935.str _Entry_type original _Submission_date 2000-12-30 _Accession_date 2001-01-01 _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 Pakhomova Olga N. . 2 Cui Yumin . . 3 Zwieb Christian . . 4 Hinck Andrew P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 587 "13C chemical shifts" 425 "15N chemical shifts" 90 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-09-07 update BMRB 'corrected natural source' 2001-06-29 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: Sequence-specific 1H, 13C, and 15N signal assignments and secondary structure of Archaeoglobus fulgidus SRP19 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pakhomova Olga N. . 2 Cui Yumin . . 3 Zwieb Christian . . 4 Hinck Andrew P. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 20 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 187 _Page_last 188 _Year 2001 _Details . loop_ _Keyword 'RNA-binding protein' 'signal recogntion particle' SRP stop_ save_ ####################################### # Cited references within the entry # ####################################### save_citation_1 _Saveframe_category citation _Citation_full ; NMRPipe: a multidimensional spectral processing system based on UNIX Pipes F. Delaglio, S. Grzesiek, G. Vuister, G. Zhu, J. Pfeifer, and A. Bax J. Biomol. NMR, 6 (1995) 277-293. ; _Citation_title 'NMRPipe: a multidimensional spectral processing system based on UNIX pipes.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 8520220 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Delaglio F. . . 2 Grzesiek S. . . 3 Vuister G.W. W. . 4 Zhu G. . . 5 Pfeifer J. . . 6 Bax A. . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of biomolecular NMR' _Journal_volume 6 _Journal_issue 3 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 277 _Page_last 293 _Year 1995 _Details ; The NMRPipe system is a UNIX software environment of processing, graphics, and analysis tools designed to meet current routine and research-oriented multidimensional processing requirements, and to anticipate and accommodate future demands and developments. The system is based on UNIX pipes, which allow programs running simultaneously to exchange streams of data under user control. In an NMRPipe processing scheme, a stream of spectral data flows through a pipeline of processing programs, each of which performs one component of the overall scheme, such as Fourier transformation or linear prediction. Complete multidimensional processing schemes are constructed as simple UNIX shell scripts. The processing modules themselves maintain and exploit accurate records of data sizes, detection modes, and calibration information in all dimensions, so that schemes can be constructed without the need to explicitly define or anticipate data sizes or storage details of real and imaginary channels during processing. The asynchronous pipeline scheme provides other substantial advantages, including high flexibility, favorable processing speeds, choice of both all-in-memory and disk-bound processing, easy adaptation to different data formats, simpler software development and maintenance, and the ability to distribute processing tasks on multi-CPU computers and computer networks. ; save_ save_citation_2 _Saveframe_category citation _Citation_full 'Garrett, Gronenborn, Clore (1991) J. Magn. Res., 95, 214-220.' _Citation_title . _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? _Journal_abbreviation . _Journal_name_full . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first . _Page_last . _Year . _Details . save_ save_citation_3 _Saveframe_category citation _Citation_full ; Ch. Bartels, T.-H. Xia, M. Billeter, P. Guntert and K. Wuthrich (1995) The program XEASY for computer-supported NMR spectral analysis of biological macromolecules. J. Biomolecular NMR 5, 1-10 ; _Citation_title . _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? _Journal_abbreviation . _Journal_name_full . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_system_SRP19 _Saveframe_category molecular_system _Mol_system_name 'Signal Recognition Particle Protein SRP19' _Abbreviation_common SRP19 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Af19 monomer' $Af19_monomer stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function 'A protein component of the signal recognition particle' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Af19_monomer _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Archaeglobus fulgidus SRP19' _Name_variant 'Af19 C4S C41S' _Abbreviation_common Af19 _Molecular_mass 12372.6 _Mol_thiol_state 'not present' _Details 'Contains cysteine to serine substitutions at postions 4 and 41' ############################## # Polymer residue sequence # ############################## _Residue_count 104 _Mol_residue_sequence ; MKESVVWTVNLDSKKSRAEG RRIPRRFAVPNVKLHELVEA SKELGLKFRAEEKKYPKSWW EEGGRVVVEKRGTKTKLMIE LARKIAEIREQKREQKKDKK KKKK ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 GLU 4 SER 5 VAL 6 VAL 7 TRP 8 THR 9 VAL 10 ASN 11 LEU 12 ASP 13 SER 14 LYS 15 LYS 16 SER 17 ARG 18 ALA 19 GLU 20 GLY 21 ARG 22 ARG 23 ILE 24 PRO 25 ARG 26 ARG 27 PHE 28 ALA 29 VAL 30 PRO 31 ASN 32 VAL 33 LYS 34 LEU 35 HIS 36 GLU 37 LEU 38 VAL 39 GLU 40 ALA 41 SER 42 LYS 43 GLU 44 LEU 45 GLY 46 LEU 47 LYS 48 PHE 49 ARG 50 ALA 51 GLU 52 GLU 53 LYS 54 LYS 55 TYR 56 PRO 57 LYS 58 SER 59 TRP 60 TRP 61 GLU 62 GLU 63 GLY 64 GLY 65 ARG 66 VAL 67 VAL 68 VAL 69 GLU 70 LYS 71 ARG 72 GLY 73 THR 74 LYS 75 THR 76 LYS 77 LEU 78 MET 79 ILE 80 GLU 81 LEU 82 ALA 83 ARG 84 LYS 85 ILE 86 ALA 87 GLU 88 ILE 89 ARG 90 GLU 91 GLN 92 LYS 93 ARG 94 GLU 95 GLN 96 LYS 97 LYS 98 ASP 99 LYS 100 LYS 101 LYS 102 LYS 103 LYS 104 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-11-16 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 PDB 1KVN "Solution Structure Of Protein Srp19 Of The Arhaeoglobus Fulgidus Signal Recognition Particle, 10 Structures" 100.00 104 100.00 100.00 1.25e-63 PDB 1KVV "Solution Structure Of Protein Srp19 Of The Archaeoglobus Fulgidus Signal Recognition Particle, Minimized Average Structure" 100.00 104 100.00 100.00 1.25e-63 GB AAB89988 "signal recognition particle, subunit SRP19 (srp19) [Archaeoglobus fulgidus DSM 4304]" 100.00 104 98.08 98.08 1.55e-62 GB AIG98129 "Signal recognition particle 19 kDa protein [Archaeoglobus fulgidus DSM 8774]" 100.00 104 98.08 98.08 1.55e-62 REF NP_070086 "signal recognition particle subunit 19 [Archaeoglobus fulgidus DSM 4304]" 100.00 104 98.08 98.08 1.55e-62 REF WP_010878753 "signal recognition particle [Archaeoglobus fulgidus]" 100.00 104 98.08 98.08 1.55e-62 SP O29010 "RecName: Full=Signal recognition particle 19 kDa protein; Short=SRP19 [Archaeoglobus fulgidus DSM 4304]" 100.00 104 98.08 98.08 1.55e-62 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Af19_monomer 'Archaeoglobus fulgidus' 2234 Archaea . Archaeoglobus fulgidus 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 _Details $Af19_monomer 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3) 'Novagen pET23d' ; these cells were also contranformed with pLysE to limit basal level production of the protein ; stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Af19_monomer . mM 1.8 2.2 '[U-99% 13C; U-98% 15N]' NaCl 0.050 M . . . KH2PO4 0.025 M . . . D2O 99.88 % . . . stop_ save_ save_sample2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Af19_monomer . mM 1.8 2.2 '[U-98% 15N]' NaCl 0.050 M . . . KH2PO4 0.025 M . . . D2O 5 % . . . H2O 95 % . . . stop_ save_ ############################ # Computer software used # ############################ save_nmrPipe _Saveframe_category software _Name nmrPipe _Version 1.7 loop_ _Task processing apodization 'zero filling' 'fourier transformation' stop_ _Details . _Citation_label $citation_1 save_ save_PIPP _Saveframe_category software _Name PIPP _Version 4.3.1 loop_ _Task Analysis 'peak picking' stop_ _Details . _Citation_label $citation_2 save_ save_XEASY _Saveframe_category software _Name XEASY _Version 1.3.12 loop_ _Task analysis 'peak picking' 'sequential assignment' stop_ _Details . _Citation_label $citation_3 save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX2 _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H/15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H/15N HSQC' _Sample_label . save_ save_2D_1H/13C_CT-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H/13C CT-HSQC' _Sample_label . save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label . save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label . save_ save_3D_CCONH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCONH' _Sample_label . save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label . save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label . save_ save_3D_HN(CA)CO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label . save_ save_3D_HCCH-TOCY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H/15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H/13C CT-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCONH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_condition1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 0.1 n/a temperature 300 1 K 'ionic strength' 0.075 0.005 M stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.00 external direct cylindrical external parallel . DSS C 13 'methyl protons' ppm 0.00 external direct cylindrical external parallel 0.251449519 DSS N 15 'methyl protons' ppm 0.00 external direct cylindrical external parallel 0.101329112 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_shifts1 _Saveframe_category assigned_chemical_shifts _Details ; Several unassigned signals were observed that may correspond to minor conformational species ; loop_ _Experiment_label '2D 1H/15N HSQC' '2D 1H/13C CT-HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D CCONH' '3D HBHA(CO)NH' '3D HNCO' '3D HN(CA)CO' '3D HCCH-TOCY' stop_ _Sample_conditions_label $condition1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Af19 monomer' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 MET C C 176.20 0.40 1 2 . 1 MET CA C 56.20 0.40 1 3 . 1 MET CB C 33.00 0.40 1 4 . 2 LYS H H 8.37 0.02 1 5 . 2 LYS HA H 4.44 0.02 1 6 . 2 LYS HB2 H 1.85 0.02 1 7 . 2 LYS HB3 H 1.85 0.02 1 8 . 2 LYS HG2 H 1.50 0.02 1 9 . 2 LYS HG3 H 1.50 0.02 1 10 . 2 LYS HD2 H 1.73 0.02 1 11 . 2 LYS HD3 H 1.73 0.02 1 12 . 2 LYS HE2 H 3.02 0.02 1 13 . 2 LYS HE3 H 3.02 0.02 1 14 . 2 LYS C C 175.60 0.40 1 15 . 2 LYS CA C 56.60 0.40 1 16 . 2 LYS CB C 33.50 0.40 1 17 . 2 LYS CG C 25.10 0.40 1 18 . 2 LYS CD C 29.20 0.40 1 19 . 2 LYS CE C 42.30 0.40 1 20 . 2 LYS N N 123.20 0.20 1 21 . 3 GLU H H 8.39 0.02 1 22 . 3 GLU HA H 4.90 0.02 1 23 . 3 GLU HB2 H 1.78 0.02 1 24 . 3 GLU HB3 H 1.78 0.02 1 25 . 3 GLU HG2 H 2.12 0.02 2 26 . 3 GLU HG3 H 1.99 0.02 2 27 . 3 GLU C C 176.10 0.40 1 28 . 3 GLU CA C 55.60 0.40 1 29 . 3 GLU CB C 32.90 0.40 1 30 . 3 GLU CG C 36.50 0.40 1 31 . 3 GLU N N 121.10 0.20 1 32 . 4 SER H H 9.18 0.02 1 33 . 4 SER HA H 4.82 0.02 1 34 . 4 SER HB2 H 3.57 0.02 2 35 . 4 SER HB3 H 3.45 0.02 2 36 . 4 SER C C 172.10 0.40 1 37 . 4 SER CA C 57.80 0.40 1 38 . 4 SER CB C 66.00 0.40 1 39 . 4 SER N N 118.10 0.20 1 40 . 5 VAL H H 8.62 0.02 1 41 . 5 VAL HA H 4.53 0.02 1 42 . 5 VAL HB H 1.95 0.02 1 43 . 5 VAL HG1 H 0.85 0.02 1 44 . 5 VAL HG2 H 0.85 0.02 1 45 . 5 VAL C C 175.30 0.40 1 46 . 5 VAL CA C 61.80 0.40 1 47 . 5 VAL CB C 33.00 0.40 1 48 . 5 VAL CG1 C 21.20 0.40 2 49 . 5 VAL CG2 C 21.90 0.40 2 50 . 5 VAL N N 125.00 0.20 1 51 . 6 VAL H H 8.72 0.02 1 52 . 6 VAL HA H 4.42 0.02 1 53 . 6 VAL HB H 1.83 0.02 1 54 . 6 VAL HG1 H 0.68 0.02 2 55 . 6 VAL HG2 H 0.89 0.02 2 56 . 6 VAL C C 174.60 0.40 1 57 . 6 VAL CA C 61.80 0.40 1 58 . 6 VAL CB C 34.20 0.40 1 59 . 6 VAL CG1 C 20.20 0.40 2 60 . 6 VAL CG2 C 21.90 0.40 2 61 . 6 VAL N N 126.30 0.20 1 62 . 7 TRP H H 8.44 0.02 1 63 . 7 TRP HA H 5.00 0.02 1 64 . 7 TRP HB2 H 3.64 0.02 2 65 . 7 TRP HB3 H 2.64 0.02 2 66 . 7 TRP C C 179.10 0.40 1 67 . 7 TRP CA C 56.10 0.40 1 68 . 7 TRP CB C 31.30 0.40 1 69 . 7 TRP N N 127.50 0.20 1 70 . 8 THR H H 8.73 0.02 1 71 . 8 THR HA H 3.59 0.02 1 72 . 8 THR HB H 4.12 0.02 1 73 . 8 THR HG2 H 1.10 0.02 1 74 . 8 THR C C 177.50 0.40 1 75 . 8 THR CA C 66.60 0.40 1 76 . 8 THR CB C 66.60 0.40 1 77 . 8 THR CG2 C 22.60 0.40 1 78 . 8 THR N N 114.10 0.20 1 79 . 9 VAL H H 6.94 0.02 1 80 . 9 VAL HA H 3.86 0.02 1 81 . 9 VAL HB H 1.84 0.02 1 82 . 9 VAL HG1 H 0.31 0.02 2 83 . 9 VAL HG2 H 0.80 0.02 2 84 . 9 VAL C C 176.30 0.40 1 85 . 9 VAL CA C 64.00 0.40 1 86 . 9 VAL CB C 31.70 0.40 1 87 . 9 VAL CG1 C 18.60 0.40 2 88 . 9 VAL CG2 C 21.70 0.40 2 89 . 9 VAL N N 110.60 0.20 1 90 . 10 ASN H H 7.33 0.02 1 91 . 10 ASN HA H 5.26 0.02 1 92 . 10 ASN HB2 H 3.23 0.02 2 93 . 10 ASN HB3 H 3.14 0.02 2 94 . 10 ASN C C 176.00 0.40 1 95 . 10 ASN CA C 55.10 0.40 1 96 . 10 ASN CB C 40.10 0.40 1 97 . 10 ASN N N 113.50 0.20 1 98 . 11 LEU H H 7.10 0.02 1 99 . 11 LEU HA H 4.41 0.02 1 100 . 11 LEU HB2 H 1.77 0.02 2 101 . 11 LEU HB3 H 1.73 0.02 2 102 . 11 LEU HG H 1.63 0.02 1 103 . 11 LEU HD1 H 0.74 0.02 2 104 . 11 LEU HD2 H 0.79 0.02 2 105 . 11 LEU C C 173.90 0.40 1 106 . 11 LEU CA C 53.10 0.40 1 107 . 11 LEU CB C 42.60 0.40 1 108 . 11 LEU CG C 28.00 0.40 1 109 . 11 LEU CD1 C 27.70 0.40 2 110 . 11 LEU CD2 C 23.60 0.40 2 111 . 11 LEU N N 114.00 0.20 1 112 . 12 ASP H H 6.76 0.02 1 113 . 12 ASP HA H 5.66 0.02 1 114 . 12 ASP HB2 H 3.04 0.02 2 115 . 12 ASP HB3 H 2.57 0.02 2 116 . 12 ASP C C 178.20 0.40 1 117 . 12 ASP CA C 52.70 0.40 1 118 . 12 ASP CB C 44.30 0.40 1 119 . 12 ASP N N 119.00 0.20 1 120 . 13 SER H H 8.28 0.02 1 121 . 13 SER HA H 3.71 0.02 1 122 . 13 SER HB2 H 3.91 0.02 2 123 . 13 SER HB3 H 3.40 0.02 2 124 . 13 SER C C 175.90 0.40 1 125 . 13 SER CA C 60.50 0.40 1 126 . 13 SER CB C 62.70 0.40 1 127 . 13 SER N N 121.00 0.20 1 128 . 14 LYS H H 9.46 0.02 1 129 . 14 LYS HA H 4.30 0.02 1 130 . 14 LYS HB2 H 1.98 0.02 1 131 . 14 LYS HB3 H 1.98 0.02 1 132 . 14 LYS HG2 H 1.43 0.02 1 133 . 14 LYS HG3 H 1.43 0.02 1 134 . 14 LYS HD2 H 1.68 0.02 1 135 . 14 LYS HD3 H 1.68 0.02 1 136 . 14 LYS HE2 H 2.99 0.02 1 137 . 14 LYS HE3 H 2.99 0.02 1 138 . 14 LYS C C 176.40 0.40 1 139 . 14 LYS CA C 55.50 0.40 1 140 . 14 LYS CB C 30.80 0.40 1 141 . 14 LYS CG C 24.50 0.40 1 142 . 14 LYS CD C 28.10 0.40 1 143 . 14 LYS CE C 41.90 0.40 1 144 . 14 LYS N N 122.20 0.20 1 145 . 15 LYS H H 7.63 0.02 1 146 . 15 LYS HA H 4.80 0.02 1 147 . 15 LYS HB2 H 2.01 0.02 1 148 . 15 LYS HB3 H 2.01 0.02 1 149 . 15 LYS HG2 H 1.54 0.02 1 150 . 15 LYS HG3 H 1.54 0.02 1 151 . 15 LYS HD2 H 1.69 0.02 1 152 . 15 LYS HD3 H 1.69 0.02 1 153 . 15 LYS HE2 H 3.00 0.02 1 154 . 15 LYS HE3 H 3.00 0.02 1 155 . 15 LYS C C 175.40 0.40 1 156 . 15 LYS CA C 53.00 0.40 1 157 . 15 LYS CB C 33.00 0.40 1 158 . 15 LYS CG C 25.10 0.40 1 159 . 15 LYS CD C 28.50 0.40 1 160 . 15 LYS CE C 41.70 0.40 1 161 . 15 LYS N N 120.00 0.20 1 162 . 16 SER H H 9.13 0.02 1 163 . 16 SER HA H 4.63 0.02 1 164 . 16 SER HB2 H 4.39 0.02 2 165 . 16 SER HB3 H 3.98 0.02 2 166 . 16 SER C C 176.90 0.40 1 167 . 16 SER CA C 57.00 0.40 1 168 . 16 SER CB C 65.50 0.40 1 169 . 16 SER N N 118.00 0.20 1 170 . 17 ARG H H 9.29 0.02 1 171 . 17 ARG HA H 4.76 0.02 1 172 . 17 ARG HB2 H 1.80 0.02 2 173 . 17 ARG HB3 H 1.72 0.02 2 174 . 17 ARG HG2 H 1.52 0.02 1 175 . 17 ARG HG3 H 1.52 0.02 1 176 . 17 ARG HD2 H 3.16 0.02 1 177 . 17 ARG HD3 H 3.16 0.02 1 178 . 17 ARG C C 180.90 0.40 1 179 . 17 ARG CA C 59.70 0.40 1 180 . 17 ARG CB C 28.90 0.40 1 181 . 17 ARG CG C 22.00 0.40 1 182 . 17 ARG CD C 43.10 0.40 1 183 . 17 ARG N N 122.10 0.20 1 184 . 18 ALA H H 8.45 0.02 1 185 . 18 ALA HA H 4.13 0.02 1 186 . 18 ALA HB H 1.42 0.02 1 187 . 18 ALA C C 179.70 0.40 1 188 . 18 ALA CA C 55.10 0.40 1 189 . 18 ALA CB C 18.10 0.40 1 190 . 18 ALA N N 123.90 0.20 1 191 . 19 GLU H H 7.42 0.02 1 192 . 19 GLU HA H 4.15 0.02 1 193 . 19 GLU HB2 H 2.18 0.02 1 194 . 19 GLU HB3 H 2.18 0.02 1 195 . 19 GLU HG2 H 2.27 0.02 1 196 . 19 GLU HG3 H 2.27 0.02 1 197 . 19 GLU C C 182.10 0.40 1 198 . 19 GLU CA C 56.20 0.40 1 199 . 19 GLU CB C 31.60 0.40 1 200 . 19 GLU CG C 37.20 0.40 1 201 . 19 GLU N N 116.40 0.20 1 202 . 20 GLY H H 7.35 0.02 1 203 . 20 GLY HA2 H 4.16 0.02 2 204 . 20 GLY HA3 H 3.24 0.02 2 205 . 20 GLY C C 173.40 0.40 1 206 . 20 GLY CA C 44.40 0.40 1 207 . 20 GLY N N 103.43 0.20 1 208 . 21 ARG H H 7.90 0.02 1 209 . 21 ARG HA H 4.55 0.02 1 210 . 21 ARG HB2 H 1.67 0.02 1 211 . 21 ARG HB3 H 1.67 0.02 1 212 . 21 ARG C C 178.00 0.40 1 213 . 21 ARG CA C 58.90 0.40 1 214 . 21 ARG CB C 28.30 0.40 1 215 . 21 ARG N N 124.50 0.20 1 216 . 22 ARG H H 9.08 0.02 1 217 . 22 ARG HA H 4.85 0.02 1 218 . 22 ARG HB2 H 2.31 0.02 2 219 . 22 ARG HB3 H 1.62 0.02 2 220 . 22 ARG HG2 H 1.78 0.02 1 221 . 22 ARG HG3 H 1.78 0.02 1 222 . 22 ARG HD2 H 3.18 0.02 1 223 . 22 ARG HD3 H 3.18 0.02 1 224 . 22 ARG C C 174.80 0.40 1 225 . 22 ARG CA C 54.10 0.40 1 226 . 22 ARG CB C 33.20 0.40 1 227 . 22 ARG CG C 26.70 0.40 1 228 . 22 ARG CD C 42.20 0.40 1 229 . 22 ARG N N 124.30 0.20 1 230 . 23 ILE H H 7.05 0.02 1 231 . 23 ILE HA H 5.07 0.02 1 232 . 23 ILE HB H 1.88 0.02 1 233 . 23 ILE HG12 H 1.40 0.02 1 234 . 23 ILE HG13 H 1.40 0.02 1 235 . 23 ILE HG2 H 0.97 0.02 1 236 . 23 ILE HD1 H 0.73 0.02 1 237 . 23 ILE C C 172.00 0.40 1 238 . 23 ILE CA C 57.90 0.40 1 239 . 23 ILE CB C 39.50 0.40 1 240 . 23 ILE CG1 C 23.90 0.40 1 241 . 23 ILE CG2 C 17.40 0.40 1 242 . 23 ILE CD1 C 14.90 0.40 1 243 . 23 ILE N N 111.30 0.20 1 244 . 24 PRO HA H 4.56 0.02 1 245 . 24 PRO HB2 H 2.64 0.02 2 246 . 24 PRO HB3 H 1.71 0.02 2 247 . 24 PRO HG2 H 2.06 0.02 1 248 . 24 PRO HG3 H 2.06 0.02 1 249 . 24 PRO HD2 H 3.57 0.02 1 250 . 24 PRO HD3 H 3.57 0.02 1 251 . 24 PRO C C 177.10 0.40 1 252 . 24 PRO CA C 63.10 0.40 1 253 . 24 PRO CB C 32.70 0.40 1 254 . 24 PRO CG C 27.80 0.40 1 255 . 24 PRO CD C 50.10 0.40 1 256 . 25 ARG H H 9.82 0.02 1 257 . 25 ARG HA H 3.48 0.02 1 258 . 25 ARG HB2 H 1.80 0.02 1 259 . 25 ARG HB3 H 1.80 0.02 1 260 . 25 ARG HG2 H 1.63 0.02 1 261 . 25 ARG HG3 H 1.63 0.02 1 262 . 25 ARG HD2 H 3.27 0.02 2 263 . 25 ARG HD3 H 3.19 0.02 2 264 . 25 ARG C C 178.50 0.40 1 265 . 25 ARG CA C 60.90 0.40 1 266 . 25 ARG CB C 30.10 0.40 1 267 . 25 ARG CG C 28.30 0.40 1 268 . 25 ARG CD C 43.40 0.40 1 269 . 25 ARG N N 127.00 0.20 1 270 . 26 ARG H H 8.39 0.02 1 271 . 26 ARG HA H 4.05 0.02 1 272 . 26 ARG HB2 H 1.64 0.02 2 273 . 26 ARG HB3 H 1.31 0.02 2 274 . 26 ARG HG2 H 0.93 0.02 2 275 . 26 ARG HG3 H 0.35 0.02 2 276 . 26 ARG HD2 H 2.80 0.02 1 277 . 26 ARG HD3 H 2.80 0.02 1 278 . 26 ARG C C 176.30 0.40 1 279 . 26 ARG CA C 57.70 0.40 1 280 . 26 ARG CB C 28.90 0.40 1 281 . 26 ARG CG C 25.50 0.40 1 282 . 26 ARG CD C 42.60 0.40 1 283 . 26 ARG N N 114.30 0.20 1 284 . 27 PHE H H 7.44 0.02 1 285 . 27 PHE HA H 4.87 0.02 1 286 . 27 PHE HB2 H 3.52 0.02 2 287 . 27 PHE HB3 H 2.57 0.02 2 288 . 27 PHE C C 173.90 0.40 1 289 . 27 PHE CA C 56.30 0.40 1 290 . 27 PHE CB C 41.30 0.40 1 291 . 27 PHE N N 117.10 0.20 1 292 . 28 ALA H H 7.27 0.02 1 293 . 28 ALA HA H 4.36 0.02 1 294 . 28 ALA HB H 1.23 0.02 1 295 . 28 ALA C C 174.80 0.40 1 296 . 28 ALA CA C 51.90 0.40 1 297 . 28 ALA CB C 19.80 0.40 1 298 . 28 ALA N N 122.20 0.20 1 299 . 29 VAL H H 8.27 0.02 1 300 . 29 VAL HA H 4.84 0.02 1 301 . 29 VAL HB H 1.97 0.02 1 302 . 29 VAL HG1 H 0.82 0.02 2 303 . 29 VAL HG2 H 0.93 0.02 2 304 . 29 VAL C C 175.50 0.40 1 305 . 29 VAL CA C 57.90 0.40 1 306 . 29 VAL CB C 34.50 0.40 1 307 . 29 VAL CG1 C 19.70 0.40 2 308 . 29 VAL CG2 C 22.20 0.40 2 309 . 29 VAL N N 113.70 0.20 1 310 . 30 PRO HA H 4.56 0.02 1 311 . 30 PRO HB2 H 1.89 0.02 1 312 . 30 PRO HB3 H 1.89 0.02 1 313 . 30 PRO HG2 H 2.08 0.02 1 314 . 30 PRO HG3 H 2.08 0.02 1 315 . 30 PRO HD2 H 3.62 0.02 1 316 . 30 PRO HD3 H 3.62 0.02 1 317 . 30 PRO C C 179.00 0.40 1 318 . 30 PRO CA C 63.60 0.40 1 319 . 30 PRO CB C 32.50 0.40 1 320 . 30 PRO CG C 27.70 0.40 1 321 . 30 PRO CD C 50.00 0.40 1 322 . 31 ASN H H 9.38 0.02 1 323 . 31 ASN HA H 4.54 0.02 1 324 . 31 ASN HB2 H 2.86 0.02 2 325 . 31 ASN HB3 H 2.76 0.02 2 326 . 31 ASN C C 174.70 0.40 1 327 . 31 ASN CA C 53.70 0.40 1 328 . 31 ASN CB C 36.50 0.40 1 329 . 31 ASN N N 121.40 0.20 1 330 . 32 VAL H H 7.35 0.02 1 331 . 32 VAL HA H 3.35 0.02 1 332 . 32 VAL HB H 1.81 0.02 1 333 . 32 VAL HG1 H 0.74 0.02 2 334 . 32 VAL HG2 H 0.83 0.02 2 335 . 32 VAL C C 176.20 0.40 1 336 . 32 VAL CA C 64.20 0.40 1 337 . 32 VAL CB C 32.40 0.40 1 338 . 32 VAL CG1 C 22.30 0.40 2 339 . 32 VAL CG2 C 23.30 0.40 2 340 . 32 VAL N N 120.60 0.20 1 341 . 33 LYS H H 8.59 0.02 1 342 . 33 LYS HA H 4.80 0.02 1 343 . 33 LYS HB2 H 2.00 0.02 2 344 . 33 LYS HB3 H 1.29 0.02 2 345 . 33 LYS HG2 H 1.56 0.02 1 346 . 33 LYS HG3 H 1.56 0.02 1 347 . 33 LYS HD2 H 1.65 0.02 1 348 . 33 LYS HD3 H 1.65 0.02 1 349 . 33 LYS HE2 H 3.00 0.02 1 350 . 33 LYS HE3 H 3.00 0.02 1 351 . 33 LYS C C 178.20 0.40 1 352 . 33 LYS CA C 53.20 0.40 1 353 . 33 LYS CB C 34.40 0.40 1 354 . 33 LYS CG C 24.20 0.40 1 355 . 33 LYS CD C 28.40 0.40 1 356 . 33 LYS CE C 42.20 0.40 1 357 . 33 LYS N N 126.90 0.20 1 358 . 34 LEU H H 9.43 0.02 1 359 . 34 LEU HA H 3.77 0.02 1 360 . 34 LEU HB2 H 2.01 0.02 1 361 . 34 LEU HB3 H 2.01 0.02 1 362 . 34 LEU HG H 1.54 0.02 1 363 . 34 LEU HD1 H 0.94 0.02 2 364 . 34 LEU HD2 H 0.76 0.02 2 365 . 34 LEU C C 178.70 0.40 1 366 . 34 LEU CA C 58.90 0.40 1 367 . 34 LEU CB C 40.50 0.40 1 368 . 34 LEU CG C 26.20 0.40 1 369 . 34 LEU CD1 C 26.20 0.40 2 370 . 34 LEU CD2 C 23.30 0.40 2 371 . 34 LEU N N 126.20 0.20 1 372 . 35 HIS H H 8.78 0.02 1 373 . 35 HIS HA H 4.25 0.02 1 374 . 35 HIS HB2 H 3.26 0.02 2 375 . 35 HIS HB3 H 3.10 0.02 2 376 . 35 HIS C C 177.50 0.40 1 377 . 35 HIS CA C 59.30 0.40 1 378 . 35 HIS CB C 28.30 0.40 1 379 . 35 HIS N N 114.10 0.20 1 380 . 36 GLU H H 6.68 0.02 1 381 . 36 GLU HA H 4.07 0.02 1 382 . 36 GLU HB2 H 2.43 0.02 2 383 . 36 GLU HB3 H 1.97 0.02 2 384 . 36 GLU HG2 H 1.93 0.02 1 385 . 36 GLU HG3 H 1.93 0.02 1 386 . 36 GLU C C 177.80 0.40 1 387 . 36 GLU CA C 58.40 0.40 1 388 . 36 GLU CB C 30.00 0.40 1 389 . 36 GLU CG C 37.70 0.40 1 390 . 36 GLU N N 119.10 0.20 1 391 . 37 LEU H H 7.27 0.02 1 392 . 37 LEU HA H 3.83 0.02 1 393 . 37 LEU HB2 H 1.85 0.02 2 394 . 37 LEU HB3 H 1.32 0.02 2 395 . 37 LEU HG H 1.39 0.02 1 396 . 37 LEU HD1 H 0.68 0.02 2 397 . 37 LEU HD2 H 0.74 0.02 2 398 . 37 LEU C C 179.20 0.40 1 399 . 37 LEU CA C 57.80 0.40 1 400 . 37 LEU CB C 42.70 0.40 1 401 . 37 LEU CG C 25.70 0.40 1 402 . 37 LEU CD1 C 26.30 0.40 2 403 . 37 LEU CD2 C 25.20 0.40 2 404 . 37 LEU N N 120.90 0.20 1 405 . 38 VAL H H 8.24 0.02 1 406 . 38 VAL HA H 3.08 0.02 1 407 . 38 VAL HB H 2.07 0.02 1 408 . 38 VAL HG1 H 0.94 0.02 2 409 . 38 VAL HG2 H 1.02 0.02 2 410 . 38 VAL C C 176.60 0.40 1 411 . 38 VAL CA C 66.90 0.40 1 412 . 38 VAL CB C 31.90 0.40 1 413 . 38 VAL CG1 C 23.50 0.40 2 414 . 38 VAL CG2 C 20.80 0.40 2 415 . 38 VAL N N 121.70 0.20 1 416 . 39 GLU H H 7.92 0.02 1 417 . 39 GLU HA H 3.92 0.02 1 418 . 39 GLU HB2 H 2.18 0.02 2 419 . 39 GLU HB3 H 2.01 0.02 2 420 . 39 GLU HG2 H 2.41 0.02 2 421 . 39 GLU HG3 H 2.33 0.02 2 422 . 39 GLU C C 179.00 0.40 1 423 . 39 GLU CA C 59.70 0.40 1 424 . 39 GLU CB C 29.50 0.40 1 425 . 39 GLU CG C 35.90 0.40 1 426 . 39 GLU N N 119.60 0.20 1 427 . 40 ALA H H 8.39 0.02 1 428 . 40 ALA HA H 3.75 0.02 1 429 . 40 ALA HB H 1.32 0.02 1 430 . 40 ALA C C 178.40 0.40 1 431 . 40 ALA CA C 55.60 0.40 1 432 . 40 ALA CB C 19.40 0.40 1 433 . 40 ALA N N 119.90 0.20 1 434 . 41 SER H H 7.49 0.02 1 435 . 41 SER HA H 3.71 0.02 1 436 . 41 SER HB2 H 3.02 0.02 2 437 . 41 SER HB3 H 2.63 0.02 2 438 . 41 SER C C 175.80 0.40 1 439 . 41 SER CA C 63.80 0.40 1 440 . 41 SER CB C 62.40 0.40 1 441 . 41 SER N N 114.90 0.20 1 442 . 42 LYS H H 7.92 0.02 1 443 . 42 LYS HA H 4.32 0.02 1 444 . 42 LYS HB2 H 2.02 0.02 1 445 . 42 LYS HB3 H 2.02 0.02 1 446 . 42 LYS HG2 H 1.56 0.02 1 447 . 42 LYS HG3 H 1.56 0.02 1 448 . 42 LYS HD2 H 1.79 0.02 1 449 . 42 LYS HD3 H 1.79 0.02 1 450 . 42 LYS HE2 H 3.01 0.02 1 451 . 42 LYS HE3 H 3.01 0.02 1 452 . 42 LYS C C 181.50 0.40 1 453 . 42 LYS CA C 59.50 0.40 1 454 . 42 LYS CB C 33.10 0.40 1 455 . 42 LYS CG C 25.30 0.40 1 456 . 42 LYS CD C 29.40 0.40 1 457 . 42 LYS CE C 42.30 0.40 1 458 . 42 LYS N N 121.20 0.20 1 459 . 43 GLU H H 8.39 0.02 1 460 . 43 GLU HA H 4.06 0.02 1 461 . 43 GLU HB2 H 2.00 0.02 2 462 . 43 GLU HB3 H 1.87 0.02 2 463 . 43 GLU HG2 H 2.49 0.02 2 464 . 43 GLU HG3 H 2.15 0.02 2 465 . 43 GLU C C 178.80 0.40 1 466 . 43 GLU CA C 59.40 0.40 1 467 . 43 GLU CB C 29.40 0.40 1 468 . 43 GLU CG C 36.50 0.40 1 469 . 43 GLU N N 120.80 0.20 1 470 . 44 LEU H H 7.82 0.02 1 471 . 44 LEU HA H 4.32 0.02 1 472 . 44 LEU HB2 H 1.76 0.02 2 473 . 44 LEU HB3 H 1.56 0.02 2 474 . 44 LEU HG H 1.75 0.02 1 475 . 44 LEU HD1 H 0.76 0.02 2 476 . 44 LEU HD2 H 0.89 0.02 2 477 . 44 LEU C C 177.10 0.40 1 478 . 44 LEU CA C 55.30 0.40 1 479 . 44 LEU CB C 42.50 0.40 1 480 . 44 LEU CG C 27.20 0.40 1 481 . 44 LEU CD1 C 25.40 0.40 2 482 . 44 LEU CD2 C 22.60 0.40 2 483 . 44 LEU N N 117.80 0.20 1 484 . 45 GLY H H 7.92 0.02 1 485 . 45 GLY HA2 H 3.97 0.02 2 486 . 45 GLY HA3 H 3.93 0.02 2 487 . 45 GLY C C 175.00 0.40 1 488 . 45 GLY CA C 46.10 0.40 1 489 . 45 GLY N N 109.00 0.20 1 490 . 46 LEU H H 7.69 0.02 1 491 . 46 LEU HA H 4.32 0.02 1 492 . 46 LEU HB2 H 1.63 0.02 2 493 . 46 LEU HB3 H 1.44 0.02 2 494 . 46 LEU HG H 1.45 0.02 1 495 . 46 LEU HD1 H 0.86 0.02 2 496 . 46 LEU HD2 H 0.78 0.02 2 497 . 46 LEU C C 176.60 0.40 1 498 . 46 LEU CA C 54.20 0.40 1 499 . 46 LEU CB C 42.40 0.40 1 500 . 46 LEU CD1 C 26.20 0.40 2 501 . 46 LEU CD2 C 21.50 0.40 2 502 . 46 LEU N N 118.00 0.20 1 503 . 47 LYS H H 8.89 0.02 1 504 . 47 LYS HA H 4.55 0.02 1 505 . 47 LYS HB2 H 1.86 0.02 1 506 . 47 LYS HB3 H 1.86 0.02 1 507 . 47 LYS HG2 H 1.47 0.02 2 508 . 47 LYS HG3 H 1.38 0.02 2 509 . 47 LYS HD2 H 1.65 0.02 1 510 . 47 LYS HD3 H 1.65 0.02 1 511 . 47 LYS HE2 H 2.96 0.02 1 512 . 47 LYS HE3 H 2.96 0.02 1 513 . 47 LYS C C 175.10 0.40 1 514 . 47 LYS CA C 55.90 0.40 1 515 . 47 LYS CB C 32.10 0.40 1 516 . 47 LYS CG C 24.90 0.40 1 517 . 47 LYS CD C 29.10 0.40 1 518 . 47 LYS CE C 42.30 0.40 1 519 . 47 LYS N N 123.60 0.20 1 520 . 48 PHE H H 7.97 0.02 1 521 . 48 PHE HA H 5.78 0.02 1 522 . 48 PHE HB2 H 2.81 0.02 2 523 . 48 PHE HB3 H 2.73 0.02 2 524 . 48 PHE C C 173.10 0.40 1 525 . 48 PHE CA C 55.50 0.40 1 526 . 48 PHE CB C 43.40 0.40 1 527 . 48 PHE N N 120.50 0.20 1 528 . 49 ARG H H 8.47 0.02 1 529 . 49 ARG HA H 4.43 0.02 1 530 . 49 ARG HB2 H 1.85 0.02 2 531 . 49 ARG HB3 H 1.68 0.02 2 532 . 49 ARG HG2 H 1.54 0.02 2 533 . 49 ARG HG3 H 1.39 0.02 2 534 . 49 ARG HD2 H 3.13 0.02 1 535 . 49 ARG HD3 H 3.13 0.02 1 536 . 49 ARG C C 174.20 0.40 1 537 . 49 ARG CA C 54.80 0.40 1 538 . 49 ARG CB C 33.00 0.40 1 539 . 49 ARG CG C 27.10 0.40 1 540 . 49 ARG CD C 43.30 0.40 1 541 . 49 ARG N N 117.90 0.20 1 542 . 50 ALA H H 9.02 0.02 1 543 . 50 ALA HA H 5.14 0.02 1 544 . 50 ALA HB H 1.43 0.02 1 545 . 50 ALA C C 176.80 0.40 1 546 . 50 ALA CA C 51.20 0.40 1 547 . 50 ALA CB C 21.90 0.40 1 548 . 50 ALA N N 126.80 0.20 1 549 . 51 GLU H H 8.95 0.02 1 550 . 51 GLU HA H 4.62 0.02 1 551 . 51 GLU HB2 H 1.75 0.02 1 552 . 51 GLU HB3 H 1.75 0.02 1 553 . 51 GLU HG2 H 2.14 0.02 2 554 . 51 GLU HG3 H 2.01 0.02 2 555 . 51 GLU C C 174.80 0.40 1 556 . 51 GLU CA C 55.50 0.40 1 557 . 51 GLU CB C 33.60 0.40 1 558 . 51 GLU CG C 36.30 0.40 1 559 . 51 GLU N N 120.40 0.20 1 560 . 52 GLU H H 8.66 0.02 1 561 . 52 GLU HA H 4.57 0.02 1 562 . 52 GLU HB2 H 2.65 0.02 1 563 . 52 GLU HB3 H 2.65 0.02 1 564 . 52 GLU HG2 H 2.71 0.02 1 565 . 52 GLU HG3 H 2.71 0.02 1 566 . 52 GLU C C 175.50 0.40 1 567 . 52 GLU CA C 56.20 0.40 1 568 . 52 GLU CB C 33.40 0.40 1 569 . 52 GLU N N 124.70 0.20 1 570 . 62 GLU HA H 4.19 0.02 1 571 . 62 GLU HB2 H 2.07 0.02 1 572 . 62 GLU HB3 H 2.07 0.02 1 573 . 62 GLU HG2 H 2.32 0.02 1 574 . 62 GLU HG3 H 2.32 0.02 1 575 . 62 GLU C C 176.70 0.40 1 576 . 62 GLU CA C 57.30 0.40 1 577 . 62 GLU CB C 30.20 0.40 1 578 . 62 GLU CG C 36.50 0.40 1 579 . 63 GLY H H 8.25 0.02 1 580 . 63 GLY HA2 H 4.25 0.02 1 581 . 63 GLY HA3 H 4.25 0.02 1 582 . 63 GLY C C 173.70 0.40 1 583 . 63 GLY CA C 46.00 0.40 1 584 . 63 GLY N N 108.10 0.20 1 585 . 64 GLY H H 8.29 0.02 1 586 . 64 GLY HA2 H 4.66 0.02 2 587 . 64 GLY HA3 H 4.42 0.02 2 588 . 64 GLY C C 171.30 0.40 1 589 . 64 GLY CA C 45.70 0.40 1 590 . 64 GLY N N 107.80 0.20 1 591 . 65 ARG H H 8.66 0.02 1 592 . 65 ARG HA H 5.19 0.02 1 593 . 65 ARG HB2 H 0.84 0.02 2 594 . 65 ARG HB3 H 0.66 0.02 2 595 . 65 ARG HG2 H 1.16 0.02 2 596 . 65 ARG HG3 H 0.58 0.02 2 597 . 65 ARG C C 173.50 0.40 1 598 . 65 ARG CA C 53.40 0.40 1 599 . 65 ARG CB C 32.80 0.40 1 600 . 65 ARG CG C 24.60 0.40 1 601 . 65 ARG CD C 41.40 0.40 1 602 . 65 ARG N N 117.00 0.20 1 603 . 66 VAL H H 8.57 0.02 1 604 . 66 VAL HA H 5.19 0.02 1 605 . 66 VAL HB H 1.84 0.02 1 606 . 66 VAL HG1 H 0.65 0.02 2 607 . 66 VAL HG2 H 0.69 0.02 2 608 . 66 VAL C C 173.80 0.40 1 609 . 66 VAL CA C 59.10 0.40 1 610 . 66 VAL CB C 35.30 0.40 1 611 . 66 VAL CG1 C 18.20 0.40 2 612 . 66 VAL CG2 C 22.30 0.40 2 613 . 66 VAL N N 111.10 0.20 1 614 . 67 VAL H H 8.75 0.02 1 615 . 67 VAL HA H 4.47 0.02 1 616 . 67 VAL HB H 1.84 0.02 1 617 . 67 VAL HG1 H 0.64 0.02 2 618 . 67 VAL HG2 H 0.69 0.02 2 619 . 67 VAL C C 176.40 0.40 1 620 . 67 VAL CA C 61.90 0.40 1 621 . 67 VAL CB C 32.30 0.40 1 622 . 67 VAL CG1 C 19.90 0.40 2 623 . 67 VAL CG2 C 21.70 0.40 2 624 . 67 VAL N N 123.40 0.20 1 625 . 68 VAL H H 9.16 0.02 1 626 . 68 VAL HA H 4.87 0.02 1 627 . 68 VAL HB H 1.96 0.02 1 628 . 68 VAL HG1 H 0.84 0.02 2 629 . 68 VAL HG2 H 0.99 0.02 2 630 . 68 VAL C C 174.90 0.40 1 631 . 68 VAL CA C 60.10 0.40 1 632 . 68 VAL CB C 35.40 0.40 1 633 . 68 VAL CG1 C 21.30 0.40 2 634 . 68 VAL CG2 C 22.30 0.40 2 635 . 68 VAL N N 126.50 0.20 1 636 . 69 GLU H H 8.41 0.02 1 637 . 69 GLU HA H 4.34 0.02 1 638 . 69 GLU HB2 H 2.14 0.02 1 639 . 69 GLU HB3 H 2.14 0.02 1 640 . 69 GLU HG2 H 2.33 0.02 1 641 . 69 GLU HG3 H 2.33 0.02 1 642 . 69 GLU C C 175.20 0.40 1 643 . 69 GLU CA C 56.80 0.40 1 644 . 69 GLU CB C 30.60 0.40 1 645 . 69 GLU CG C 36.50 0.40 1 646 . 69 GLU N N 126.10 0.20 1 647 . 70 LYS H H 8.24 0.02 1 648 . 70 LYS HA H 4.13 0.02 1 649 . 70 LYS HB2 H 1.72 0.02 1 650 . 70 LYS HB3 H 1.72 0.02 1 651 . 70 LYS HG2 H 1.39 0.02 1 652 . 70 LYS HG3 H 1.39 0.02 1 653 . 70 LYS HD2 H 1.59 0.02 1 654 . 70 LYS HD3 H 1.59 0.02 1 655 . 70 LYS HE2 H 2.95 0.02 1 656 . 70 LYS HE3 H 2.95 0.02 1 657 . 70 LYS C C 175.90 0.40 1 658 . 70 LYS CA C 56.70 0.40 1 659 . 70 LYS CB C 33.60 0.40 1 660 . 70 LYS CG C 24.90 0.40 1 661 . 70 LYS CD C 29.70 0.40 1 662 . 70 LYS CE C 42.20 0.40 1 663 . 70 LYS N N 125.70 0.20 1 664 . 71 ARG H H 8.50 0.02 1 665 . 71 ARG HA H 4.50 0.02 1 666 . 71 ARG HB2 H 1.86 0.02 2 667 . 71 ARG HB3 H 1.75 0.02 2 668 . 71 ARG HG2 H 1.65 0.02 1 669 . 71 ARG HG3 H 1.65 0.02 1 670 . 71 ARG HD2 H 3.19 0.02 1 671 . 71 ARG HD3 H 3.19 0.02 1 672 . 71 ARG C C 175.60 0.40 1 673 . 71 ARG CA C 55.90 0.40 1 674 . 71 ARG CB C 31.30 0.40 1 675 . 71 ARG CG C 27.00 0.40 1 676 . 71 ARG CD C 43.50 0.40 1 677 . 71 ARG N N 126.80 0.20 1 678 . 72 GLY H H 8.28 0.02 1 679 . 72 GLY HA2 H 4.12 0.02 2 680 . 72 GLY HA3 H 3.99 0.02 2 681 . 72 GLY C C 174.00 0.40 1 682 . 72 GLY CA C 45.00 0.40 1 683 . 72 GLY N N 111.70 0.20 1 684 . 73 THR H H 8.21 0.02 1 685 . 73 THR HA H 4.43 0.02 1 686 . 73 THR HB H 4.57 0.02 1 687 . 73 THR HG2 H 1.34 0.02 1 688 . 73 THR C C 176.00 0.40 1 689 . 73 THR CA C 61.30 0.40 1 690 . 73 THR CB C 70.00 0.40 1 691 . 73 THR CG2 C 22.10 0.40 1 692 . 73 THR N N 113.20 0.20 1 693 . 74 LYS H H 9.19 0.02 1 694 . 74 LYS HA H 4.08 0.02 1 695 . 74 LYS HB2 H 2.02 0.02 1 696 . 74 LYS HB3 H 2.02 0.02 1 697 . 74 LYS HG2 H 1.56 0.02 1 698 . 74 LYS HG3 H 1.56 0.02 1 699 . 74 LYS HD2 H 1.79 0.02 1 700 . 74 LYS HD3 H 1.79 0.02 1 701 . 74 LYS HE2 H 3.01 0.02 1 702 . 74 LYS HE3 H 3.01 0.02 1 703 . 74 LYS C C 178.20 0.40 1 704 . 74 LYS CA C 59.70 0.40 1 705 . 74 LYS CB C 32.50 0.40 1 706 . 74 LYS CG C 25.80 0.40 1 707 . 74 LYS CD C 29.50 0.40 1 708 . 74 LYS N N 125.60 0.20 1 709 . 75 THR H H 8.40 0.02 1 710 . 75 THR HA H 3.82 0.02 1 711 . 75 THR HB H 4.07 0.02 1 712 . 75 THR HG2 H 1.28 0.02 1 713 . 75 THR C C 175.20 0.40 1 714 . 75 THR CA C 67.30 0.40 1 715 . 75 THR CB C 68.80 0.40 1 716 . 75 THR CG2 C 22.20 0.40 1 717 . 75 THR N N 115.00 0.20 1 718 . 76 LYS H H 7.41 0.02 1 719 . 76 LYS HA H 3.90 0.02 1 720 . 76 LYS HB2 H 1.78 0.02 1 721 . 76 LYS HB3 H 1.78 0.02 1 722 . 76 LYS HG2 H 1.36 0.02 1 723 . 76 LYS HG3 H 1.36 0.02 1 724 . 76 LYS HD2 H 1.68 0.02 1 725 . 76 LYS HD3 H 1.68 0.02 1 726 . 76 LYS HE2 H 2.96 0.02 1 727 . 76 LYS HE3 H 2.96 0.02 1 728 . 76 LYS C C 178.10 0.40 1 729 . 76 LYS CA C 59.30 0.40 1 730 . 76 LYS CB C 32.20 0.40 1 731 . 76 LYS CG C 25.30 0.40 1 732 . 76 LYS CD C 29.40 0.40 1 733 . 76 LYS CE C 42.20 0.40 1 734 . 76 LYS N N 120.60 0.20 1 735 . 77 LEU H H 7.46 0.02 1 736 . 77 LEU HA H 4.14 0.02 1 737 . 77 LEU HB2 H 1.98 0.02 2 738 . 77 LEU HB3 H 1.68 0.02 2 739 . 77 LEU HG H 1.39 0.02 1 740 . 77 LEU HD1 H 0.80 0.02 2 741 . 77 LEU HD2 H 0.93 0.02 2 742 . 77 LEU C C 178.00 0.40 1 743 . 77 LEU CA C 57.90 0.40 1 744 . 77 LEU CB C 41.40 0.40 1 745 . 77 LEU CG C 27.40 0.40 1 746 . 77 LEU CD1 C 26.40 0.40 2 747 . 77 LEU CD2 C 23.30 0.40 2 748 . 77 LEU N N 120.20 0.20 1 749 . 78 MET H H 8.28 0.02 1 750 . 78 MET HA H 3.78 0.02 1 751 . 78 MET HB2 H 3.00 0.02 2 752 . 78 MET HB3 H 2.25 0.02 2 753 . 78 MET HG2 H 2.19 0.02 2 754 . 78 MET HG3 H 1.70 0.02 2 755 . 78 MET HE H 2.10 0.02 1 756 . 78 MET C C 177.40 0.40 1 757 . 78 MET CA C 61.10 0.40 1 758 . 78 MET CB C 33.80 0.40 1 759 . 78 MET CG C 34.10 0.40 1 760 . 78 MET CE C 17.80 0.40 1 761 . 78 MET N N 116.10 0.20 1 762 . 79 ILE H H 7.96 0.02 1 763 . 79 ILE HA H 3.49 0.02 1 764 . 79 ILE HB H 1.81 0.02 1 765 . 79 ILE HG12 H 0.78 0.02 1 766 . 79 ILE HG13 H 0.78 0.02 1 767 . 79 ILE HG2 H 0.46 0.02 1 768 . 79 ILE HD1 H 0.55 0.02 1 769 . 79 ILE C C 177.80 0.40 1 770 . 79 ILE CA C 65.80 0.40 1 771 . 79 ILE CB C 37.80 0.40 1 772 . 79 ILE CG1 C 30.00 0.40 1 773 . 79 ILE CG2 C 16.40 0.40 1 774 . 79 ILE CD1 C 13.00 0.40 1 775 . 79 ILE N N 119.20 0.20 1 776 . 80 GLU H H 8.22 0.02 1 777 . 80 GLU HA H 3.92 0.02 1 778 . 80 GLU HB2 H 2.24 0.02 2 779 . 80 GLU HB3 H 2.00 0.02 2 780 . 80 GLU HG2 H 2.41 0.02 2 781 . 80 GLU HG3 H 2.23 0.02 2 782 . 80 GLU C C 180.30 0.40 1 783 . 80 GLU CA C 59.90 0.40 1 784 . 80 GLU CB C 29.10 0.40 1 785 . 80 GLU CG C 37.00 0.40 1 786 . 80 GLU N N 120.10 0.20 1 787 . 81 LEU H H 8.62 0.02 1 788 . 81 LEU HA H 3.80 0.02 1 789 . 81 LEU HB2 H 2.01 0.02 2 790 . 81 LEU HB3 H 0.94 0.02 2 791 . 81 LEU HG H 1.59 0.02 1 792 . 81 LEU HD1 H 0.94 0.02 2 793 . 81 LEU HD2 H 0.67 0.02 2 794 . 81 LEU C C 178.10 0.40 1 795 . 81 LEU CA C 58.40 0.40 1 796 . 81 LEU CB C 43.50 0.40 1 797 . 81 LEU CG C 26.30 0.40 1 798 . 81 LEU CD1 C 26.30 0.40 2 799 . 81 LEU CD2 C 24.30 0.40 2 800 . 81 LEU N N 120.90 0.20 1 801 . 82 ALA H H 8.28 0.02 1 802 . 82 ALA HA H 3.85 0.02 1 803 . 82 ALA HB H 1.63 0.02 1 804 . 82 ALA C C 179.30 0.40 1 805 . 82 ALA CA C 55.90 0.40 1 806 . 82 ALA CB C 18.80 0.40 1 807 . 82 ALA N N 121.50 0.20 1 808 . 83 ARG H H 8.47 0.02 1 809 . 83 ARG HA H 4.07 0.02 1 810 . 83 ARG HB2 H 1.98 0.02 2 811 . 83 ARG HB3 H 1.74 0.02 2 812 . 83 ARG HG2 H 1.84 0.02 2 813 . 83 ARG HG3 H 1.74 0.02 2 814 . 83 ARG HD2 H 3.20 0.02 1 815 . 83 ARG HD3 H 3.20 0.02 1 816 . 83 ARG C C 179.10 0.40 1 817 . 83 ARG CA C 59.10 0.40 1 818 . 83 ARG CB C 30.10 0.40 1 819 . 83 ARG CG C 26.90 0.40 1 820 . 83 ARG CD C 43.70 0.40 1 821 . 83 ARG N N 117.50 0.20 1 822 . 84 LYS H H 8.05 0.02 1 823 . 84 LYS HA H 4.35 0.02 1 824 . 84 LYS HB2 H 2.06 0.02 2 825 . 84 LYS HB3 H 1.99 0.02 2 826 . 84 LYS HG2 H 1.50 0.02 1 827 . 84 LYS HG3 H 1.50 0.02 1 828 . 84 LYS HD2 H 1.77 0.02 1 829 . 84 LYS HD3 H 1.77 0.02 1 830 . 84 LYS HE2 H 3.00 0.02 1 831 . 84 LYS HE3 H 3.00 0.02 1 832 . 84 LYS C C 178.10 0.40 1 833 . 84 LYS CA C 56.70 0.40 1 834 . 84 LYS CB C 30.10 0.40 1 835 . 84 LYS CG C 24.20 0.40 1 836 . 84 LYS CD C 26.30 0.40 1 837 . 84 LYS N N 120.50 0.20 1 838 . 85 ILE H H 8.49 0.02 1 839 . 85 ILE HA H 3.56 0.02 1 840 . 85 ILE HB H 1.91 0.02 1 841 . 85 ILE HG12 H 1.81 0.02 1 842 . 85 ILE HG13 H 1.81 0.02 1 843 . 85 ILE HG2 H 0.73 0.02 1 844 . 85 ILE HD1 H 0.57 0.02 1 845 . 85 ILE C C 177.70 0.40 1 846 . 85 ILE CA C 66.60 0.40 1 847 . 85 ILE CB C 37.60 0.40 1 848 . 85 ILE CG1 C 29.20 0.40 1 849 . 85 ILE CG2 C 17.40 0.40 1 850 . 85 ILE CD1 C 14.40 0.40 1 851 . 85 ILE N N 120.80 0.20 1 852 . 86 ALA H H 8.11 0.02 1 853 . 86 ALA HA H 3.98 0.02 1 854 . 86 ALA HB H 1.56 0.02 1 855 . 86 ALA C C 180.40 0.40 1 856 . 86 ALA CA C 56.00 0.40 1 857 . 86 ALA CB C 17.60 0.40 1 858 . 86 ALA N N 121.50 0.20 1 859 . 87 GLU H H 8.01 0.02 1 860 . 87 GLU HA H 4.05 0.02 1 861 . 87 GLU HB2 H 2.27 0.02 1 862 . 87 GLU HB3 H 2.27 0.02 1 863 . 87 GLU HG2 H 2.50 0.02 1 864 . 87 GLU HG3 H 2.50 0.02 1 865 . 87 GLU C C 179.30 0.40 1 866 . 87 GLU CA C 59.70 0.40 1 867 . 87 GLU CB C 30.20 0.40 1 868 . 87 GLU CG C 36.20 0.40 1 869 . 87 GLU N N 119.90 0.20 1 870 . 88 ILE H H 8.74 0.02 1 871 . 88 ILE HA H 3.73 0.02 1 872 . 88 ILE HB H 2.00 0.02 1 873 . 88 ILE HG12 H 1.81 0.02 2 874 . 88 ILE HG13 H 1.14 0.02 2 875 . 88 ILE HG2 H 0.95 0.02 1 876 . 88 ILE HD1 H 0.72 0.02 1 877 . 88 ILE C C 179.10 0.40 1 878 . 88 ILE CA C 65.60 0.40 1 879 . 88 ILE CB C 38.40 0.40 1 880 . 88 ILE CG1 C 29.10 0.40 1 881 . 88 ILE CG2 C 17.10 0.40 1 882 . 88 ILE CD1 C 14.10 0.40 1 883 . 88 ILE N N 122.60 0.20 1 884 . 89 ARG H H 8.50 0.02 1 885 . 89 ARG HA H 3.99 0.02 1 886 . 89 ARG HB2 H 1.98 0.02 2 887 . 89 ARG HB3 H 1.87 0.02 2 888 . 89 ARG HG2 H 1.67 0.02 2 889 . 89 ARG HG3 H 2.07 0.02 2 890 . 89 ARG HD2 H 2.82 0.02 1 891 . 89 ARG HD3 H 2.82 0.02 1 892 . 89 ARG C C 179.80 0.40 1 893 . 89 ARG CA C 60.20 0.40 1 894 . 89 ARG CB C 31.10 0.40 1 895 . 89 ARG CG C 28.00 0.40 1 896 . 89 ARG CD C 44.20 0.40 1 897 . 89 ARG N N 119.00 0.20 1 898 . 90 GLU H H 7.86 0.02 1 899 . 90 GLU HA H 4.15 0.02 1 900 . 90 GLU HB2 H 2.18 0.02 1 901 . 90 GLU HB3 H 2.18 0.02 1 902 . 90 GLU HG2 H 2.38 0.02 1 903 . 90 GLU HG3 H 2.38 0.02 1 904 . 90 GLU C C 178.40 0.40 1 905 . 90 GLU CA C 58.90 0.40 1 906 . 90 GLU CB C 29.40 0.40 1 907 . 90 GLU CG C 36.00 0.40 1 908 . 90 GLU N N 119.50 0.20 1 909 . 91 GLN H H 8.12 0.02 1 910 . 91 GLN HA H 4.11 0.02 1 911 . 91 GLN HB2 H 2.27 0.02 2 912 . 91 GLN HB3 H 2.19 0.02 2 913 . 91 GLN HG2 H 2.58 0.02 2 914 . 91 GLN HG3 H 2.45 0.02 2 915 . 91 GLN C C 178.30 0.40 1 916 . 91 GLN CA C 58.20 0.40 1 917 . 91 GLN CB C 28.40 0.40 1 918 . 91 GLN CG C 34.00 0.40 1 919 . 91 GLN N N 119.40 0.20 1 920 . 92 LYS H H 8.06 0.02 1 921 . 92 LYS HA H 4.08 0.02 1 922 . 92 LYS HB2 H 1.99 0.02 1 923 . 92 LYS HB3 H 1.99 0.02 1 924 . 92 LYS HG2 H 1.55 0.02 1 925 . 92 LYS HG3 H 1.55 0.02 1 926 . 92 LYS HD2 H 1.79 0.02 1 927 . 92 LYS HD3 H 1.79 0.02 1 928 . 92 LYS HE2 H 3.00 0.02 1 929 . 92 LYS HE3 H 3.00 0.02 1 930 . 92 LYS C C 178.10 0.40 1 931 . 92 LYS CA C 58.10 0.40 1 932 . 92 LYS CB C 32.50 0.40 1 933 . 92 LYS CG C 25.50 0.40 1 934 . 92 LYS CD C 29.40 0.40 1 935 . 92 LYS CE C 42.20 0.40 1 936 . 92 LYS N N 118.50 0.20 1 937 . 93 ARG H H 7.79 0.02 1 938 . 93 ARG HA H 4.12 0.02 1 939 . 93 ARG HB2 H 1.94 0.02 1 940 . 93 ARG HB3 H 1.94 0.02 1 941 . 93 ARG HG2 H 1.79 0.02 2 942 . 93 ARG HG3 H 1.68 0.02 2 943 . 93 ARG HD2 H 3.24 0.02 1 944 . 93 ARG HD3 H 3.24 0.02 1 945 . 93 ARG C C 177.30 0.40 1 946 . 93 ARG CA C 57.80 0.40 1 947 . 93 ARG CB C 30.10 0.40 1 948 . 93 ARG CG C 27.60 0.40 1 949 . 93 ARG CD C 43.60 0.40 1 950 . 93 ARG N N 120.00 0.20 1 951 . 94 GLU H H 8.16 0.02 1 952 . 94 GLU HA H 4.25 0.02 1 953 . 94 GLU HB2 H 2.07 0.02 1 954 . 94 GLU HB3 H 2.07 0.02 1 955 . 94 GLU HG2 H 2.32 0.02 1 956 . 94 GLU HG3 H 2.32 0.02 1 957 . 94 GLU C C 177.80 0.40 1 958 . 94 GLU CA C 57.30 0.40 1 959 . 94 GLU CB C 29.80 0.40 1 960 . 94 GLU CG C 36.60 0.40 1 961 . 94 GLU N N 120.20 0.20 1 962 . 95 GLN HA H 4.25 0.02 1 963 . 95 GLN HB2 H 2.07 0.02 1 964 . 95 GLN HB3 H 2.07 0.02 1 965 . 95 GLN HG2 H 2.44 0.02 1 966 . 95 GLN HG3 H 2.44 0.02 1 967 . 95 GLN C C 176.60 0.40 1 968 . 95 GLN CA C 56.80 0.40 1 969 . 95 GLN CB C 28.90 0.40 1 970 . 95 GLN CG C 34.00 0.40 1 971 . 96 LYS H H 8.06 0.02 1 972 . 96 LYS HA H 4.29 0.02 1 973 . 96 LYS HB2 H 1.84 0.02 1 974 . 96 LYS HB3 H 1.84 0.02 1 975 . 96 LYS HG2 H 1.51 0.02 1 976 . 96 LYS HG3 H 1.51 0.02 1 977 . 96 LYS HD2 H 1.70 0.02 1 978 . 96 LYS HD3 H 1.70 0.02 1 979 . 96 LYS HE2 H 2.98 0.02 1 980 . 96 LYS HE3 H 2.98 0.02 1 981 . 96 LYS C C 177.00 0.40 1 982 . 96 LYS CA C 57.00 0.40 1 983 . 96 LYS CB C 32.80 0.40 1 984 . 96 LYS CG C 24.90 0.40 1 985 . 96 LYS CD C 29.20 0.40 1 986 . 96 LYS CE C 42.30 0.40 1 987 . 96 LYS N N 120.90 0.20 1 988 . 97 LYS H H 8.06 0.02 1 989 . 97 LYS HA H 4.25 0.02 1 990 . 97 LYS HB2 H 1.84 0.02 1 991 . 97 LYS HB3 H 1.84 0.02 1 992 . 97 LYS HG2 H 1.41 0.02 1 993 . 97 LYS HG3 H 1.41 0.02 1 994 . 97 LYS HD2 H 1.70 0.02 1 995 . 97 LYS HD3 H 1.70 0.02 1 996 . 97 LYS HE2 H 2.99 0.02 1 997 . 97 LYS HE3 H 2.99 0.02 1 998 . 97 LYS C C 176.40 0.40 1 999 . 97 LYS CA C 56.80 0.40 1 1000 . 97 LYS CB C 32.90 0.40 1 1001 . 97 LYS CG C 24.90 0.40 1 1002 . 97 LYS CD C 29.20 0.40 1 1003 . 97 LYS CE C 42.40 0.40 1 1004 . 97 LYS N N 121.40 0.20 1 1005 . 98 ASP H H 8.24 0.02 1 1006 . 98 ASP HA H 4.57 0.02 1 1007 . 98 ASP HB2 H 2.70 0.02 2 1008 . 98 ASP HB3 H 2.64 0.02 2 1009 . 98 ASP C C 176.40 0.40 1 1010 . 98 ASP CA C 54.60 0.40 1 1011 . 98 ASP CB C 41.30 0.40 1 1012 . 98 ASP N N 121.10 0.20 1 1013 . 99 LYS H H 8.23 0.02 1 1014 . 99 LYS HA H 4.27 0.02 1 1015 . 99 LYS HB2 H 1.83 0.02 1 1016 . 99 LYS HB3 H 1.83 0.02 1 1017 . 99 LYS HG2 H 1.40 0.02 1 1018 . 99 LYS HG3 H 1.40 0.02 1 1019 . 99 LYS HD2 H 1.70 0.02 1 1020 . 99 LYS HD3 H 1.70 0.02 1 1021 . 99 LYS HE2 H 3.00 0.02 1 1022 . 99 LYS HE3 H 3.00 0.02 1 1023 . 99 LYS C C 176.80 0.40 1 1024 . 99 LYS CA C 56.70 0.40 1 1025 . 99 LYS CB C 32.90 0.40 1 1026 . 99 LYS CG C 24.80 0.40 1 1027 . 99 LYS CD C 29.30 0.40 1 1028 . 99 LYS CE C 42.40 0.40 1 1029 . 99 LYS N N 122.10 0.20 1 1030 . 100 LYS H H 8.23 0.02 1 1031 . 100 LYS HA H 4.27 0.02 1 1032 . 100 LYS HB2 H 1.81 0.02 1 1033 . 100 LYS HB3 H 1.81 0.02 1 1034 . 100 LYS HG2 H 1.48 0.02 1 1035 . 100 LYS HG3 H 1.48 0.02 1 1036 . 100 LYS HD2 H 1.71 0.02 1 1037 . 100 LYS HD3 H 1.71 0.02 1 1038 . 100 LYS HE2 H 3.00 0.02 1 1039 . 100 LYS HE3 H 3.00 0.02 1 1040 . 100 LYS C C 176.60 0.40 1 1041 . 100 LYS CA C 56.70 0.40 1 1042 . 100 LYS CB C 32.80 0.40 1 1043 . 100 LYS CG C 24.80 0.40 1 1044 . 100 LYS CD C 29.00 0.40 1 1045 . 100 LYS CE C 42.30 0.40 1 1046 . 100 LYS N N 121.60 0.20 1 1047 . 101 LYS H H 8.17 0.02 1 1048 . 101 LYS HA H 4.27 0.02 1 1049 . 101 LYS HB2 H 1.79 0.02 1 1050 . 101 LYS HB3 H 1.79 0.02 1 1051 . 101 LYS HG2 H 1.42 0.02 1 1052 . 101 LYS HG3 H 1.42 0.02 1 1053 . 101 LYS HD2 H 1.67 0.02 1 1054 . 101 LYS HD3 H 1.67 0.02 1 1055 . 101 LYS HE2 H 3.00 0.02 1 1056 . 101 LYS HE3 H 3.00 0.02 1 1057 . 101 LYS C C 176.40 0.40 1 1058 . 101 LYS CA C 56.20 0.40 1 1059 . 101 LYS CB C 33.20 0.40 1 1060 . 101 LYS CG C 24.80 0.40 1 1061 . 101 LYS CD C 29.10 0.40 1 1062 . 101 LYS CE C 42.10 0.40 1 1063 . 101 LYS N N 122.60 0.20 1 1064 . 102 LYS H H 8.29 0.02 1 1065 . 102 LYS HA H 4.30 0.02 1 1066 . 102 LYS HB2 H 1.82 0.02 1 1067 . 102 LYS HB3 H 1.82 0.02 1 1068 . 102 LYS HG2 H 1.43 0.02 1 1069 . 102 LYS HG3 H 1.43 0.02 1 1070 . 102 LYS HD2 H 1.69 0.02 1 1071 . 102 LYS HD3 H 1.69 0.02 1 1072 . 102 LYS HE2 H 3.00 0.02 1 1073 . 102 LYS HE3 H 3.00 0.02 1 1074 . 102 LYS C C 176.30 0.40 1 1075 . 102 LYS CA C 56.20 0.40 1 1076 . 102 LYS CB C 33.30 0.40 1 1077 . 102 LYS CG C 24.70 0.40 1 1078 . 102 LYS CD C 29.10 0.40 1 1079 . 102 LYS CE C 42.20 0.40 1 1080 . 102 LYS N N 123.50 0.20 1 1081 . 103 LYS H H 8.34 0.02 1 1082 . 103 LYS HA H 4.30 0.02 1 1083 . 103 LYS HB2 H 1.80 0.02 1 1084 . 103 LYS HB3 H 1.80 0.02 1 1085 . 103 LYS HG2 H 1.44 0.02 1 1086 . 103 LYS HG3 H 1.44 0.02 1 1087 . 103 LYS HD2 H 1.72 0.02 1 1088 . 103 LYS HD3 H 1.72 0.02 1 1089 . 103 LYS HE2 H 3.00 0.02 1 1090 . 103 LYS HE3 H 3.00 0.02 1 1091 . 103 LYS C C 175.50 0.40 1 1092 . 103 LYS CA C 56.50 0.40 1 1093 . 103 LYS CB C 33.20 0.40 1 1094 . 103 LYS CG C 24.70 0.40 1 1095 . 103 LYS CD C 29.20 0.40 1 1096 . 103 LYS CE C 42.10 0.40 1 1097 . 103 LYS N N 124.10 0.20 1 1098 . 104 LYS H H 7.94 0.02 1 1099 . 104 LYS C C 181.20 0.40 1 1100 . 104 LYS CA C 56.00 0.40 1 1101 . 104 LYS CB C 33.60 0.40 1 1102 . 104 LYS N N 128.30 0.20 1 stop_ save_