data_15560 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N NMR assignments of an engineered intein based on Mycobacterium tuberculosis RecA ; _BMRB_accession_number 15560 _BMRB_flat_file_name bmr15560.str _Entry_type original _Submission_date 2007-11-19 _Accession_date 2007-11-19 _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 Du Zhenming . . 2 Liu Yangzhong . . 3 Zheng Yuchuan . . 4 Dansereau John . . 5 Belfort Marlene . . 6 Belfort Georges . . 7 'Van Roey' Patrick . . 8 Wang Chunyu . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 769 "13C chemical shifts" 599 "15N chemical shifts" 148 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-13 update BMRB 'added PubMed ID' 2008-12-02 update BMRB 'complete entry citation' 2008-06-05 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 13C, and 15N NMR assignments of an engineered intein based on Mycobacterium tuberculosis RecA' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636882 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Du Zhenming . . 2 Liu Yangzhong . . 3 Zheng Yuchuan . . 4 McCallum Scott . . 5 Dansereau John . . 6 Derbyshire Victoria . . 7 Belfort Marlene . . 8 Belfort Georges . . 9 'Van Roey' Patrick . . 10 Wang Chunyu . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR Assignments' _Journal_volume 2 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 111 _Page_last 113 _Year 2008 _Details . loop_ _Keyword assignments intein 'Mycobacterium tuberculosis' NMR recA stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'RecA miniIntein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'sununit 1' $DDI-CM stop_ _System_molecular_weight 15282.4 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_DDI-CM _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common DDI-CM _Molecular_mass 15282.4 _Mol_thiol_state unknown loop_ _Biological_function 'protein splicing' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 139 _Mol_residue_sequence ; CLAEGTRIFDPVTGTTHRIE DVVGGRKPIHVVAAAKDGTL HARPVVSWFDQGTRDVIGLR IAGGAILWATPDHKVLTEYG WRAAGELRKGDRVAVRDVET GELRYSVIREVLPTRRARTF GLEVEELHTLVAEGVVVHN ; loop_ _Residue_seq_code _Residue_label 1 CYS 2 LEU 3 ALA 4 GLU 5 GLY 6 THR 7 ARG 8 ILE 9 PHE 10 ASP 11 PRO 12 VAL 13 THR 14 GLY 15 THR 16 THR 17 HIS 18 ARG 19 ILE 20 GLU 21 ASP 22 VAL 23 VAL 24 GLY 25 GLY 26 ARG 27 LYS 28 PRO 29 ILE 30 HIS 31 VAL 32 VAL 33 ALA 34 ALA 35 ALA 36 LYS 37 ASP 38 GLY 39 THR 40 LEU 41 HIS 42 ALA 43 ARG 44 PRO 45 VAL 46 VAL 47 SER 48 TRP 49 PHE 50 ASP 51 GLN 52 GLY 53 THR 54 ARG 55 ASP 56 VAL 57 ILE 58 GLY 59 LEU 60 ARG 61 ILE 62 ALA 63 GLY 64 GLY 65 ALA 66 ILE 67 LEU 68 TRP 69 ALA 70 THR 71 PRO 72 ASP 73 HIS 74 LYS 75 VAL 76 LEU 77 THR 78 GLU 79 TYR 80 GLY 81 TRP 82 ARG 83 ALA 84 ALA 85 GLY 86 GLU 87 LEU 88 ARG 89 LYS 90 GLY 91 ASP 92 ARG 93 VAL 94 ALA 95 VAL 96 ARG 97 ASP 98 VAL 99 GLU 100 THR 101 GLY 102 GLU 103 LEU 104 ARG 105 TYR 106 SER 107 VAL 108 ILE 109 ARG 110 GLU 111 VAL 112 LEU 113 PRO 114 THR 115 ARG 116 ARG 117 ALA 118 ARG 119 THR 120 PHE 121 GLY 122 LEU 123 GLU 124 VAL 125 GLU 126 GLU 127 LEU 128 HIS 129 THR 130 LEU 131 VAL 132 ALA 133 GLU 134 GLY 135 VAL 136 VAL 137 VAL 138 HIS 139 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-12 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 16634 Mtu_RecA_intein 100.00 139 99.28 100.00 4.46e-91 BMRB 17414 RecA 100.00 139 99.28 99.28 1.55e-90 PDB 2IN0 "Crystal Structure Of Mtu Reca Intein Splicing Domain" 100.00 139 98.56 98.56 9.91e-90 PDB 2IN8 "Crystal Structure Of Mtu Reca Intein, Splicing Domain" 100.00 139 100.00 100.00 1.46e-91 PDB 2IN9 "Crystal Structure Of Mtu Reca Intein, Splicing Domain" 100.00 139 97.84 98.56 3.59e-89 PDB 2L8L "Structure Of An Engineered Splicing Intein Mutant Based On Mycobacterium Tuberculosis Reca" 100.00 139 98.56 98.56 9.91e-90 PDB 3IFJ "Crystal Structure Of Mtu Reca Intein, Splicing Domain" 99.28 139 97.10 98.55 1.66e-87 PDB 3IGD "Crystal Structure Of Mtu Reca Intein, Splicing Domain" 99.28 139 97.83 98.55 8.16e-88 EMBL CFR77613 "recombinase A [Mycobacterium tuberculosis]" 67.63 429 97.87 98.94 3.62e-55 EMBL CMM98736 "recombinase A [Mycobacterium tuberculosis]" 67.63 397 97.87 98.94 2.18e-56 GB EPZ65824 "LOW QUALITY PROTEIN: hypothetical protein TBKG_03998, partial [Mycobacterium tuberculosis '98-R604 INH-RIF-EM']" 67.63 609 97.87 98.94 3.34e-54 GB KAM73204 "protein RecA, partial [Mycobacterium tuberculosis TKK_04_0097]" 67.63 582 97.87 98.94 3.08e-54 REF WP_049963343 "DNA recombination protein RecA, partial [Mycobacterium tuberculosis]" 67.63 582 97.87 98.94 3.08e-54 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $DDI-CM 'Mycobacterium tuberculosis' 1773 Bacteria . Mycobacterium tuberculosis 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 $DDI-CM 'recombinant technology' . Escherichia coli . BME21 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_CM_mutant_H2O_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $DDI-CM 0.3 mM '[U-98% 13C; U-98% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium azide' 1 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' H2O 10 % 'natural abundance' D2O 90 % . stop_ save_ save_CM_mutant_D2O_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $DDI-CM 0.3 mM '[U-98% 13C; U-98% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium azide' 1 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' D2O 90 % . stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard 'University of California,San Francisco' http://www.cgl.ucsf.edu/home/sparky/ stop_ loop_ _Task 'chemical shift assignment' 'peak picking' processing 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_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $CM_mutant_H2O_sample save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $CM_mutant_H2O_sample save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $CM_mutant_H2O_sample save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $CM_mutant_H2O_sample save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $CM_mutant_H2O_sample save_ save_3D_1H-15N_TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $CM_mutant_H2O_sample save_ save_3D_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $CM_mutant_H2O_sample save_ save_3D_C(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $CM_mutant_H2O_sample save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $CM_mutant_D2O_sample save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $CM_mutant_D2O_sample save_ save_2D_1H-15N_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $CM_mutant_H2O_sample save_ save_2D_1H-13C_HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $CM_mutant_D2O_sample 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' 100 10 mM pH 7.0 0.1 pH pressure 1 1 atm temperature 298 0.1 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct other other . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' stop_ loop_ _Sample_label $CM_mutant_H2O_sample $CM_mutant_D2O_sample stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'sununit 1' _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 CYS HA H 4.59 0.02 1 2 1 1 CYS HB2 H 3.15 0.02 2 3 1 1 CYS HB3 H 2.56 0.02 2 4 1 1 CYS C C 171.69 0.20 1 5 1 1 CYS CA C 57.19 0.20 1 6 1 1 CYS CB C 29.52 0.20 1 7 2 2 LEU H H 9.08 0.02 1 8 2 2 LEU HA H 5.03 0.02 1 9 2 2 LEU HB2 H 1.79 0.02 1 10 2 2 LEU HB3 H 1.79 0.02 1 11 2 2 LEU HD1 H 0.90 0.02 2 12 2 2 LEU HD2 H 0.49 0.02 2 13 2 2 LEU HG H 1.62 0.02 1 14 2 2 LEU C C 176.70 0.20 1 15 2 2 LEU CA C 54.03 0.20 1 16 2 2 LEU CB C 44.36 0.20 1 17 2 2 LEU CD1 C 25.52 0.20 2 18 2 2 LEU CD2 C 22.11 0.20 2 19 2 2 LEU CG C 27.35 0.20 1 20 2 2 LEU N N 122.57 0.20 1 21 3 3 ALA H H 8.18 0.02 1 22 3 3 ALA HA H 4.70 0.02 1 23 3 3 ALA HB H 1.45 0.02 1 24 3 3 ALA C C 178.15 0.20 1 25 3 3 ALA CA C 53.24 0.20 1 26 3 3 ALA CB C 22.40 0.20 1 27 3 3 ALA N N 121.29 0.20 1 28 4 4 GLU H H 8.77 0.02 1 29 4 4 GLU HA H 4.07 0.02 1 30 4 4 GLU HB2 H 2.26 0.02 2 31 4 4 GLU HB3 H 2.10 0.02 2 32 4 4 GLU HG2 H 2.25 0.02 2 33 4 4 GLU HG3 H 2.12 0.02 2 34 4 4 GLU C C 175.15 0.20 1 35 4 4 GLU CA C 57.81 0.20 1 36 4 4 GLU CB C 31.01 0.20 1 37 4 4 GLU CG C 36.46 0.20 1 38 4 4 GLU N N 121.26 0.20 1 39 5 5 GLY H H 11.32 0.02 1 40 5 5 GLY HA2 H 4.50 0.02 2 41 5 5 GLY HA3 H 3.67 0.02 2 42 5 5 GLY C C 174.56 0.20 1 43 5 5 GLY CA C 44.70 0.20 1 44 5 5 GLY N N 120.06 0.20 1 45 6 6 THR H H 7.94 0.02 1 46 6 6 THR HA H 4.30 0.02 1 47 6 6 THR HB H 4.13 0.02 1 48 6 6 THR HG2 H 1.41 0.02 1 49 6 6 THR C C 174.40 0.20 1 50 6 6 THR CA C 65.81 0.20 1 51 6 6 THR CB C 68.91 0.20 1 52 6 6 THR CG2 C 23.55 0.20 1 53 6 6 THR N N 117.12 0.20 1 54 7 7 ARG H H 9.57 0.02 1 55 7 7 ARG HA H 4.86 0.02 1 56 7 7 ARG HB2 H 1.86 0.02 2 57 7 7 ARG HB3 H 1.50 0.02 2 58 7 7 ARG HD2 H 3.30 0.02 2 59 7 7 ARG HD3 H 3.19 0.02 2 60 7 7 ARG HG2 H 2.10 0.02 2 61 7 7 ARG HG3 H 1.49 0.02 2 62 7 7 ARG C C 176.36 0.20 1 63 7 7 ARG CA C 56.39 0.20 1 64 7 7 ARG CB C 31.14 0.20 1 65 7 7 ARG CD C 43.17 0.20 1 66 7 7 ARG CG C 27.45 0.20 1 67 7 7 ARG N N 130.22 0.20 1 68 8 8 ILE H H 9.60 0.02 1 69 8 8 ILE HA H 4.52 0.02 1 70 8 8 ILE HB H 1.79 0.02 1 71 8 8 ILE HD1 H 0.73 0.02 1 72 8 8 ILE HG12 H 1.40 0.02 2 73 8 8 ILE HG13 H 1.31 0.02 2 74 8 8 ILE HG2 H 0.95 0.02 1 75 8 8 ILE C C 174.35 0.20 1 76 8 8 ILE CA C 59.83 0.20 1 77 8 8 ILE CB C 41.02 0.20 1 78 8 8 ILE CD1 C 13.09 0.20 1 79 8 8 ILE CG1 C 26.51 0.20 1 80 8 8 ILE CG2 C 18.49 0.20 1 81 8 8 ILE N N 123.84 0.20 1 82 9 9 PHE H H 8.19 0.02 1 83 9 9 PHE HA H 4.83 0.02 1 84 9 9 PHE HB2 H 3.12 0.02 2 85 9 9 PHE HB3 H 2.78 0.02 2 86 9 9 PHE HD1 H 6.95 0.02 1 87 9 9 PHE HD2 H 6.95 0.02 1 88 9 9 PHE HE1 H 7.08 0.02 1 89 9 9 PHE HE2 H 7.08 0.02 1 90 9 9 PHE HZ H 7.28 0.02 1 91 9 9 PHE C C 172.88 0.20 1 92 9 9 PHE CA C 57.50 0.20 1 93 9 9 PHE CB C 41.00 0.20 1 94 9 9 PHE CD1 C 131.50 0.20 1 95 9 9 PHE CD2 C 131.50 0.20 1 96 9 9 PHE CE1 C 130.81 0.20 1 97 9 9 PHE CE2 C 130.81 0.20 1 98 9 9 PHE N N 129.24 0.20 1 99 10 10 ASP H H 8.29 0.02 1 100 10 10 ASP HA H 5.53 0.02 1 101 10 10 ASP HB2 H 3.17 0.02 2 102 10 10 ASP HB3 H 2.56 0.02 2 103 10 10 ASP CA C 49.70 0.20 1 104 10 10 ASP CB C 43.51 0.20 1 105 10 10 ASP N N 128.17 0.20 1 106 11 11 PRO HA H 3.96 0.02 1 107 11 11 PRO HB2 H 2.03 0.02 2 108 11 11 PRO HB3 H 1.84 0.02 2 109 11 11 PRO HD2 H 3.70 0.02 2 110 11 11 PRO HD3 H 3.53 0.02 2 111 11 11 PRO HG2 H 1.82 0.02 2 112 11 11 PRO HG3 H 1.72 0.02 2 113 11 11 PRO C C 178.27 0.20 1 114 11 11 PRO CA C 62.56 0.20 1 115 11 11 PRO CB C 31.39 0.20 1 116 11 11 PRO CD C 49.45 0.20 1 117 11 11 PRO CG C 26.49 0.20 1 118 12 12 VAL H H 8.96 0.02 1 119 12 12 VAL HA H 3.65 0.02 1 120 12 12 VAL HB H 2.27 0.02 1 121 12 12 VAL HG1 H 0.66 0.02 2 122 12 12 VAL HG2 H 0.24 0.02 2 123 12 12 VAL C C 177.90 0.20 1 124 12 12 VAL CA C 65.07 0.20 1 125 12 12 VAL CB C 30.86 0.20 1 126 12 12 VAL CG1 C 20.20 0.20 2 127 12 12 VAL CG2 C 21.73 0.20 2 128 12 12 VAL N N 124.14 0.20 1 129 13 13 THR H H 7.13 0.02 1 130 13 13 THR HA H 4.23 0.02 1 131 13 13 THR HB H 4.31 0.02 1 132 13 13 THR HG2 H 1.26 0.02 1 133 13 13 THR C C 176.72 0.20 1 134 13 13 THR CA C 61.45 0.20 1 135 13 13 THR CB C 69.98 0.20 1 136 13 13 THR CG2 C 22.06 0.20 1 137 13 13 THR N N 107.14 0.20 1 138 14 14 GLY H H 8.39 0.02 1 139 14 14 GLY HA2 H 4.06 0.02 2 140 14 14 GLY HA3 H 3.62 0.02 2 141 14 14 GLY C C 174.49 0.20 1 142 14 14 GLY CA C 46.19 0.20 1 143 14 14 GLY N N 112.9 0.20 1 144 15 15 THR H H 7.66 0.02 1 145 15 15 THR HA H 4.29 0.02 1 146 15 15 THR HB H 3.78 0.02 1 147 15 15 THR HG2 H 0.70 0.02 1 148 15 15 THR C C 172.33 0.20 1 149 15 15 THR CA C 62.06 0.20 1 150 15 15 THR CB C 70.69 0.20 1 151 15 15 THR CG2 C 21.19 0.20 1 152 15 15 THR N N 117.10 0.20 1 153 16 16 THR H H 8.52 0.02 1 154 16 16 THR HA H 4.92 0.02 1 155 16 16 THR HB H 3.93 0.02 1 156 16 16 THR HG2 H 1.13 0.02 1 157 16 16 THR C C 173.35 0.20 1 158 16 16 THR CA C 62.79 0.20 1 159 16 16 THR CB C 69.28 0.20 1 160 16 16 THR CG2 C 23.01 0.20 1 161 16 16 THR N N 120.30 0.20 1 162 17 17 HIS H H 9.01 0.02 1 163 17 17 HIS HA H 4.59 0.02 1 164 17 17 HIS HB2 H 2.97 0.02 2 165 17 17 HIS HB3 H 2.57 0.02 2 166 17 17 HIS HD2 H 6.81 0.02 1 167 17 17 HIS HE1 H 7.62 0.02 1 168 17 17 HIS C C 175.52 0.20 1 169 17 17 HIS CA C 55.07 0.20 1 170 17 17 HIS CB C 35.80 0.20 1 171 17 17 HIS CD2 C 118.90 0.20 1 172 17 17 HIS N N 126.89 0.20 1 173 17 17 HIS ND1 N 239.40 0.20 1 174 17 17 HIS NE2 N 175.72 0.20 1 175 18 18 ARG H H 9.38 0.02 1 176 18 18 ARG HA H 4.70 0.02 1 177 18 18 ARG HB2 H 1.69 0.02 2 178 18 18 ARG HB3 H 2.03 0.02 2 179 18 18 ARG HD2 H 3.27 0.02 2 180 18 18 ARG HD3 H 3.21 0.02 2 181 18 18 ARG HG2 H 1.76 0.02 2 182 18 18 ARG HG3 H 1.47 0.02 2 183 18 18 ARG C C 180.17 0.20 1 184 18 18 ARG CA C 55.22 0.20 1 185 18 18 ARG CB C 30.30 0.20 1 186 18 18 ARG CD C 43.81 0.20 1 187 18 18 ARG CG C 27.95 0.20 1 188 18 18 ARG N N 120.92 0.20 1 189 19 19 ILE H H 9.02 0.02 1 190 19 19 ILE HA H 3.70 0.02 1 191 19 19 ILE HB H 1.77 0.02 1 192 19 19 ILE HD1 H 0.90 0.02 1 193 19 19 ILE HG12 H 1.37 0.02 2 194 19 19 ILE HG13 H 1.12 0.02 2 195 19 19 ILE HG2 H 1.07 0.02 1 196 19 19 ILE C C 174.33 0.20 1 197 19 19 ILE CA C 66.70 0.20 1 198 19 19 ILE CB C 38.29 0.20 1 199 19 19 ILE CD1 C 15.70 0.20 1 200 19 19 ILE CG1 C 29.74 0.20 1 201 19 19 ILE CG2 C 17.44 0.20 1 202 19 19 ILE N N 125.32 0.20 1 203 20 20 GLU H H 10.88 0.20 1 204 20 20 GLU HA H 2.79 0.02 1 205 20 20 GLU HB2 H 1.51 0.02 2 206 20 20 GLU HB3 H 1.51 0.02 2 207 20 20 GLU HG2 H 2.39 0.02 2 208 20 20 GLU HG3 H 2.16 0.02 2 209 20 20 GLU C C 178.68 0.20 1 210 20 20 GLU CA C 58.19 0.20 1 211 20 20 GLU CB C 28.34 0.20 1 212 20 20 GLU CG C 34.00 0.20 1 213 20 20 GLU N N 123.84 0.20 1 214 21 21 ASP H H 7.31 0.02 1 215 21 21 ASP HA H 4.52 0.02 1 216 21 21 ASP HB2 H 3.00 0.02 2 217 21 21 ASP HB3 H 2.70 0.02 2 218 21 21 ASP C C 178.99 0.20 1 219 21 21 ASP CA C 56.22 0.20 1 220 21 21 ASP CB C 40.46 0.20 1 221 21 21 ASP N N 124.47 0.20 1 222 22 22 VAL H H 7.44 0.02 1 223 22 22 VAL HA H 3.30 0.02 1 224 22 22 VAL HB H 2.36 0.02 1 225 22 22 VAL HG1 H 1.19 0.02 2 226 22 22 VAL HG2 H 0.92 0.02 2 227 22 22 VAL C C 177.54 0.20 1 228 22 22 VAL CA C 66.56 0.20 1 229 22 22 VAL CB C 31.89 0.20 1 230 22 22 VAL CG1 C 21.69 0.20 2 231 22 22 VAL CG2 C 23.81 0.20 2 232 22 22 VAL N N 121.86 0.20 1 233 23 23 VAL H H 8.35 0.02 1 234 23 23 VAL HA H 3.93 0.02 1 235 23 23 VAL HB H 1.86 0.02 1 236 23 23 VAL HG1 H 1.39 0.02 2 237 23 23 VAL HG2 H 1.14 0.02 2 238 23 23 VAL C C 179.08 0.20 1 239 23 23 VAL CA C 66.98 0.20 1 240 23 23 VAL CB C 32.13 0.20 1 241 23 23 VAL CG1 C 24.14 0.20 2 242 23 23 VAL CG2 C 20.59 0.20 2 243 23 23 VAL N N 116.73 0.20 1 244 24 24 GLY H H 8.33 0.02 1 245 24 24 GLY HA2 H 3.99 0.02 2 246 24 24 GLY HA3 H 3.76 0.02 2 247 24 24 GLY C C 175.05 0.20 1 248 24 24 GLY CA C 47.09 0.20 1 249 24 24 GLY N N 108.17 0.20 1 250 25 25 GLY H H 7.34 0.02 1 251 25 25 GLY HA2 H 4.24 0.02 2 252 25 25 GLY HA3 H 3.17 0.02 2 253 25 25 GLY C C 172.43 0.20 1 254 25 25 GLY CA C 44.28 0.20 1 255 25 25 GLY N N 103.76 0.20 1 256 26 26 ARG H H 7.29 0.02 1 257 26 26 ARG HA H 1.52 0.02 1 258 26 26 ARG HB2 H 1.04 0.02 2 259 26 26 ARG HB3 H 0.79 0.02 2 260 26 26 ARG HD2 H 3.04 0.02 2 261 26 26 ARG HD3 H 2.88 0.02 2 262 26 26 ARG HE H 2.95 0.02 1 263 26 26 ARG HG2 H 1.08 0.02 2 264 26 26 ARG HG3 H -0.11 0.02 2 265 26 26 ARG C C 174.60 0.20 1 266 26 26 ARG CA C 55.68 0.20 1 267 26 26 ARG CB C 27.36 0.20 1 268 26 26 ARG CD C 43.38 0.20 1 269 26 26 ARG CG C 26.98 0.20 1 270 26 26 ARG N N 122.13 0.20 1 271 26 26 ARG NE N 83.65 0.20 1 272 27 27 LYS H H 8.04 0.02 1 273 27 27 LYS HA H 4.15 0.02 1 274 27 27 LYS CA C 55.30 0.20 1 275 27 27 LYS CB C 33.34 0.20 1 276 27 27 LYS N N 115.80 0.20 1 277 28 28 PRO HA H 5.13 0.02 1 278 28 28 PRO HB2 H 2.45 0.02 2 279 28 28 PRO HB3 H 2.03 0.02 2 280 28 28 PRO HD2 H 4.09 0.02 2 281 28 28 PRO HD3 H 3.67 0.02 2 282 28 28 PRO HG2 H 2.16 0.02 2 283 28 28 PRO HG3 H 2.04 0.02 2 284 28 28 PRO C C 176.42 0.20 1 285 28 28 PRO CA C 62.24 0.20 1 286 28 28 PRO CB C 28.16 0.20 1 287 28 28 PRO CD C 50.87 0.20 1 288 28 28 PRO CG C 26.92 0.20 1 289 29 29 ILE H H 7.56 0.02 1 290 29 29 ILE HA H 4.43 0.02 1 291 29 29 ILE HB H 2.39 0.02 1 292 29 29 ILE HD1 H 0.59 0.02 1 293 29 29 ILE HG12 H 1.03 0.02 2 294 29 29 ILE HG13 H 0.67 0.02 2 295 29 29 ILE HG2 H 0.36 0.02 1 296 29 29 ILE C C 175.22 0.20 1 297 29 29 ILE CA C 61.38 0.20 1 298 29 29 ILE CB C 39.00 0.20 1 299 29 29 ILE CD1 C 15.08 0.20 1 300 29 29 ILE CG1 C 25.42 0.20 1 301 29 29 ILE CG2 C 17.47 0.20 1 302 29 29 ILE N N 116.63 0.20 1 303 30 30 HIS H H 8.28 0.02 1 304 30 30 HIS HA H 5.15 0.02 1 305 30 30 HIS HB2 H 3.38 0.02 2 306 30 30 HIS HB3 H 2.75 0.02 2 307 30 30 HIS HD2 H 6.37 0.02 1 308 30 30 HIS HE1 H 7.98 0.02 1 309 30 30 HIS C C 172.52 0.20 1 310 30 30 HIS CA C 56.37 0.20 1 311 30 30 HIS CB C 31.52 0.20 1 312 30 30 HIS N N 117.97 0.20 1 313 30 30 HIS NE2 N 205.18 0.20 1 314 31 31 VAL H H 8.63 0.02 1 315 31 31 VAL HA H 5.21 0.02 1 316 31 31 VAL HB H 2.53 0.02 1 317 31 31 VAL HG1 H 0.82 0.02 2 318 31 31 VAL HG2 H 0.68 0.02 2 319 31 31 VAL C C 176.36 0.20 1 320 31 31 VAL CA C 58.07 0.20 1 321 31 31 VAL CB C 34.63 0.20 1 322 31 31 VAL CG1 C 19.25 0.20 2 323 31 31 VAL CG2 C 22.00 0.20 1 324 31 31 VAL N N 107.44 0.20 1 325 32 32 VAL H H 8.83 0.02 1 326 32 32 VAL HA H 4.24 0.02 1 327 32 32 VAL HB H 2.13 0.02 1 328 32 32 VAL HG1 H 1.06 0.02 2 329 32 32 VAL HG2 H 0.92 0.02 2 330 32 32 VAL C C 173.14 0.20 1 331 32 32 VAL CA C 62.96 0.20 1 332 32 32 VAL CB C 30.76 0.20 1 333 32 32 VAL CG1 C 22.21 0.20 2 334 32 32 VAL CG2 C 24.61 0.20 2 335 32 32 VAL N N 119.98 0.20 1 336 33 33 ALA H H 9.26 0.02 1 337 33 33 ALA HA H 4.51 0.02 1 338 33 33 ALA HB H 1.25 0.02 1 339 33 33 ALA C C 175.46 0.20 1 340 33 33 ALA CA C 50.19 0.20 1 341 33 33 ALA CB C 24.44 0.20 1 342 33 33 ALA N N 129.01 0.20 1 343 34 34 ALA H H 8.15 0.02 1 344 34 34 ALA HA H 5.21 0.02 1 345 34 34 ALA HB H 1.13 0.02 1 346 34 34 ALA C C 177.90 0.20 1 347 34 34 ALA CA C 50.36 0.20 1 348 34 34 ALA CB C 21.96 0.20 1 349 34 34 ALA N N 121.27 0.20 1 350 35 35 ALA H H 9.11 0.02 1 351 35 35 ALA HA H 4.63 0.02 1 352 35 35 ALA HB H 1.59 0.02 1 353 35 35 ALA C C 179.12 0.20 1 354 35 35 ALA CA C 50.56 0.20 1 355 35 35 ALA CB C 20.62 0.20 1 356 35 35 ALA N N 125.93 0.20 1 357 36 36 LYS H H 8.99 0.02 1 358 36 36 LYS HA H 4.21 0.02 1 359 36 36 LYS HB2 H 1.94 0.02 1 360 36 36 LYS HB3 H 1.94 0.02 1 361 36 36 LYS HD2 H 1.76 0.02 1 362 36 36 LYS HD3 H 1.76 0.02 1 363 36 36 LYS HE2 H 3.05 0.02 1 364 36 36 LYS HE3 H 3.05 0.02 1 365 36 36 LYS HG2 H 1.59 0.02 1 366 36 36 LYS HG3 H 1.59 0.02 1 367 36 36 LYS C C 176.84 0.20 1 368 36 36 LYS CA C 59.50 0.20 1 369 36 36 LYS CB C 32.26 0.20 1 370 36 36 LYS CD C 29.28 0.20 1 371 36 36 LYS CE C 42.05 0.20 1 372 36 36 LYS CG C 24.90 0.20 1 373 36 36 LYS N N 121.16 0.20 1 374 37 37 ASP H H 7.77 0.02 1 375 37 37 ASP HA H 4.53 0.02 1 376 37 37 ASP HB2 H 3.10 0.02 2 377 37 37 ASP HB3 H 2.59 0.02 2 378 37 37 ASP C C 177.04 0.20 1 379 37 37 ASP CA C 53.33 0.20 1 380 37 37 ASP CB C 40.10 0.20 1 381 37 37 ASP N N 115.88 0.20 1 382 38 38 GLY H H 8.15 0.02 1 383 38 38 GLY HA2 H 4.18 0.02 2 384 38 38 GLY HA3 H 3.39 0.02 2 385 38 38 GLY C C 173.41 0.20 1 386 38 38 GLY CA C 45.46 0.20 1 387 38 38 GLY N N 107.71 0.20 1 388 39 39 THR H H 7.70 0.02 1 389 39 39 THR HA H 4.28 0.02 1 390 39 39 THR HB H 4.12 0.02 1 391 39 39 THR HG2 H 1.14 0.02 1 392 39 39 THR C C 173.53 0.20 1 393 39 39 THR CA C 61.56 0.20 1 394 39 39 THR CB C 70.59 0.20 1 395 39 39 THR CG2 C 22.24 0.20 1 396 39 39 THR N N 110.42 0.20 1 397 40 40 LEU H H 8.24 0.02 1 398 40 40 LEU HA H 5.33 0.02 1 399 40 40 LEU HB2 H 1.69 0.02 2 400 40 40 LEU HB3 H 1.10 0.02 2 401 40 40 LEU HD1 H 0.66 0.02 2 402 40 40 LEU HD2 H 0.53 0.02 2 403 40 40 LEU HG H 1.61 0.02 1 404 40 40 LEU C C 177.23 0.20 1 405 40 40 LEU CA C 53.80 0.20 1 406 40 40 LEU CB C 42.34 0.20 1 407 40 40 LEU CD1 C 24.98 0.20 2 408 40 40 LEU CD2 C 22.40 0.20 2 409 40 40 LEU CG C 26.14 0.20 1 410 40 40 LEU N N 120.86 0.20 1 411 41 41 HIS H H 9.26 0.02 1 412 41 41 HIS HA H 4.64 0.02 1 413 41 41 HIS HB2 H 3.14 0.02 2 414 41 41 HIS HB3 H 2.33 0.02 2 415 41 41 HIS HD2 H 6.70 0.02 1 416 41 41 HIS HE1 H 7.86 0.02 1 417 41 41 HIS C C 173.97 0.20 1 418 41 41 HIS CA C 55.29 0.20 1 419 41 41 HIS CB C 35.79 0.20 1 420 41 41 HIS CD2 C 119.20 0.20 1 421 41 41 HIS N N 120.16 0.20 1 422 41 41 HIS ND1 N 227.00 0.20 1 423 41 41 HIS NE2 N 169.30 0.20 1 424 42 42 ALA H H 9.12 0.02 1 425 42 42 ALA HA H 5.52 0.02 1 426 42 42 ALA HB H 1.26 0.02 1 427 42 42 ALA C C 179.68 0.20 1 428 42 42 ALA CA C 51.46 0.20 1 429 42 42 ALA CB C 19.39 0.20 1 430 42 42 ALA N N 125.21 0.20 1 431 43 43 ARG H H 9.01 0.02 1 432 43 43 ARG HA H 5.17 0.02 1 433 43 43 ARG HB2 H 1.94 0.02 2 434 43 43 ARG HB3 H 1.58 0.02 2 435 43 43 ARG HD2 H 3.75 0.02 2 436 43 43 ARG HD3 H 3.31 0.02 2 437 43 43 ARG HG2 H 1.53 0.02 2 438 43 43 ARG HG3 H 1.53 0.02 2 439 43 43 ARG CA C 51.42 0.20 1 440 43 43 ARG CB C 35.96 0.20 1 441 43 43 ARG CD C 42.76 0.20 1 442 43 43 ARG CG C 28.08 0.20 1 443 43 43 ARG N N 124.40 0.20 1 444 44 44 PRO HA H 4.53 0.02 1 445 44 44 PRO HB2 H 1.59 0.02 2 446 44 44 PRO HB3 H 1.50 0.02 2 447 44 44 PRO HD2 H 3.82 0.02 2 448 44 44 PRO HD3 H 3.63 0.02 2 449 44 44 PRO HG2 H 1.97 0.02 2 450 44 44 PRO HG3 H 1.97 0.02 2 451 44 44 PRO C C 175.32 0.20 1 452 44 44 PRO CA C 62.31 0.20 1 453 44 44 PRO CB C 32.33 0.20 1 454 44 44 PRO CD C 50.57 0.20 1 455 44 44 PRO CG C 26.51 0.20 1 456 45 45 VAL H H 7.78 0.02 1 457 45 45 VAL HA H 4.20 0.02 1 458 45 45 VAL HB H 1.76 0.02 1 459 45 45 VAL HG1 H 0.74 0.02 2 460 45 45 VAL HG2 H 0.34 0.02 2 461 45 45 VAL C C 176.17 0.20 1 462 45 45 VAL CA C 62.33 0.20 1 463 45 45 VAL CB C 32.45 0.20 1 464 45 45 VAL CG1 C 24.45 0.20 2 465 45 45 VAL CG2 C 23.72 0.20 2 466 45 45 VAL N N 119.10 0.20 1 467 46 46 VAL H H 8.21 0.02 1 468 46 46 VAL HA H 4.11 0.02 1 469 46 46 VAL HB H 2.18 0.02 1 470 46 46 VAL HG1 H 0.74 0.02 2 471 46 46 VAL HG2 H 0.48 0.02 2 472 46 46 VAL C C 175.44 0.20 1 473 46 46 VAL CA C 60.18 0.20 1 474 46 46 VAL CB C 33.76 0.20 1 475 46 46 VAL CG1 C 20.71 0.20 2 476 46 46 VAL CG2 C 17.23 0.20 2 477 46 46 VAL N N 114.68 0.20 1 478 47 47 SER H H 6.48 0.02 1 479 47 47 SER HA H 3.96 0.02 1 480 47 47 SER HB2 H 3.26 0.02 2 481 47 47 SER HB3 H 3.20 0.02 2 482 47 47 SER C C 170.79 0.20 1 483 47 47 SER CA C 57.52 0.20 1 484 47 47 SER CB C 65.76 0.20 1 485 47 47 SER N N 113.39 0.20 1 486 48 48 TRP H H 7.64 0.02 1 487 48 48 TRP HA H 4.50 0.02 1 488 48 48 TRP HB2 H 3.16 0.02 2 489 48 48 TRP HB3 H 3.22 0.02 2 490 48 48 TRP HD1 H 6.59 0.02 1 491 48 48 TRP HE1 H 9.25 0.02 1 492 48 48 TRP HE3 H 7.54 0.02 1 493 48 48 TRP HH2 H 6.93 0.02 1 494 48 48 TRP HZ2 H 6.62 0.02 1 495 48 48 TRP HZ3 H 6.96 0.02 1 496 48 48 TRP C C 173.97 0.20 1 497 48 48 TRP CA C 58.67 0.20 1 498 48 48 TRP CB C 32.91 0.20 1 499 48 48 TRP CD1 C 125.00 0.20 1 500 48 48 TRP CE3 C 120.30 0.20 1 501 48 48 TRP CH2 C 124.10 0.20 1 502 48 48 TRP CZ2 C 114.30 0.20 1 503 48 48 TRP CZ3 C 122.50 0.20 1 504 48 48 TRP N N 120.89 0.20 1 505 48 48 TRP NE1 N 128.74 0.20 1 506 49 49 PHE H H 8.90 0.02 1 507 49 49 PHE HA H 5.17 0.02 1 508 49 49 PHE HB2 H 3.06 0.02 2 509 49 49 PHE HB3 H 2.55 0.02 2 510 49 49 PHE HD1 H 6.96 0.02 1 511 49 49 PHE HD2 H 6.96 0.02 1 512 49 49 PHE HE1 H 7.12 0.02 1 513 49 49 PHE HE2 H 7.12 0.02 1 514 49 49 PHE HZ H 7.27 0.02 1 515 49 49 PHE C C 174.44 0.20 1 516 49 49 PHE CA C 56.18 0.20 1 517 49 49 PHE CB C 41.65 0.20 1 518 49 49 PHE CD1 C 131.80 0.20 1 519 49 49 PHE CD2 C 131.80 0.20 1 520 49 49 PHE CE1 C 130.80 0.20 1 521 49 49 PHE CE2 C 130.80 0.20 1 522 49 49 PHE N N 120.40 0.20 1 523 50 50 ASP H H 9.09 0.02 1 524 50 50 ASP HA H 4.83 0.02 1 525 50 50 ASP HB2 H 3.09 0.02 2 526 50 50 ASP HB3 H 2.56 0.02 2 527 50 50 ASP C C 176.87 0.20 1 528 50 50 ASP CA C 54.01 0.20 1 529 50 50 ASP CB C 41.20 0.20 1 530 50 50 ASP N N 127.48 0.20 1 531 51 51 GLN H H 8.03 0.02 1 532 51 51 GLN HA H 4.79 0.02 1 533 51 51 GLN HB2 H 1.54 0.02 2 534 51 51 GLN HB3 H 2.19 0.02 2 535 51 51 GLN HE21 H 7.04 0.02 2 536 51 51 GLN HE22 H 6.41 0.02 2 537 51 51 GLN HG2 H 2.22 0.02 2 538 51 51 GLN HG3 H 2.03 0.02 2 539 51 51 GLN C C 176.68 0.20 1 540 51 51 GLN CA C 55.34 0.20 1 541 51 51 GLN CB C 28.80 0.20 1 542 51 51 GLN CG C 32.83 0.20 1 543 51 51 GLN N N 123.54 0.20 1 544 51 51 GLN NE2 N 110.39 0.20 1 545 52 52 GLY H H 8.04 0.02 1 546 52 52 GLY HA2 H 4.15 0.02 2 547 52 52 GLY HA3 H 3.84 0.02 2 548 52 52 GLY C C 173.99 0.20 1 549 52 52 GLY CA C 44.72 0.20 1 550 52 52 GLY N N 108.53 0.20 1 551 53 53 THR H H 8.62 0.02 1 552 53 53 THR HA H 4.73 0.02 1 553 53 53 THR HB H 3.87 0.02 1 554 53 53 THR HG2 H 0.97 0.02 1 555 53 53 THR C C 174.68 0.20 1 556 53 53 THR CA C 63.24 0.20 1 557 53 53 THR CB C 68.48 0.20 1 558 53 53 THR CG2 C 22.42 0.20 1 559 53 53 THR N N 119.10 0.20 1 560 54 54 ARG H H 8.88 0.02 1 561 54 54 ARG HA H 4.65 0.02 1 562 54 54 ARG HB2 H 1.34 0.02 2 563 54 54 ARG HB3 H 2.03 0.02 2 564 54 54 ARG HD2 H 3.02 0.02 2 565 54 54 ARG HD3 H 3.26 0.02 2 566 54 54 ARG HG2 H 1.53 0.02 2 567 54 54 ARG HG3 H 1.29 0.02 2 568 54 54 ARG C C 174.12 0.20 1 569 54 54 ARG CA C 54.53 0.20 1 570 54 54 ARG CB C 36.14 0.20 1 571 54 54 ARG CD C 43.39 0.20 1 572 54 54 ARG CG C 29.03 0.20 1 573 54 54 ARG N N 126.07 0.02 1 574 55 55 ASP H H 8.02 0.02 1 575 55 55 ASP HA H 4.97 0.02 1 576 55 55 ASP HB2 H 2.50 0.02 2 577 55 55 ASP HB3 H 2.38 0.02 2 578 55 55 ASP C C 176.60 0.20 1 579 55 55 ASP CA C 54.77 0.20 1 580 55 55 ASP CB C 41.19 0.20 1 581 55 55 ASP N N 119.74 0.02 1 582 56 56 VAL H H 9.49 0.02 1 583 56 56 VAL HA H 4.83 0.02 1 584 56 56 VAL HB H 2.17 0.02 1 585 56 56 VAL HG1 H 0.79 0.02 2 586 56 56 VAL HG2 H 0.72 0.02 2 587 56 56 VAL C C 173.94 0.20 1 588 56 56 VAL CA C 59.35 0.20 1 589 56 56 VAL CB C 35.27 0.20 1 590 56 56 VAL CG1 C 22.83 0.20 2 591 56 56 VAL CG2 C 22.92 0.20 2 592 56 56 VAL N N 114.58 0.20 1 593 57 57 ILE H H 8.95 0.02 1 594 57 57 ILE HA H 4.72 0.02 1 595 57 57 ILE HB H 1.92 0.02 1 596 57 57 ILE HD1 H 0.76 0.02 1 597 57 57 ILE HG12 H 1.41 0.02 1 598 57 57 ILE HG13 H 1.01 0.02 1 599 57 57 ILE HG2 H 1.04 0.02 1 600 57 57 ILE C C 174.29 0.20 1 601 57 57 ILE CA C 59.48 0.20 1 602 57 57 ILE CB C 41.74 0.20 1 603 57 57 ILE CD1 C 14.66 0.20 1 604 57 57 ILE CG1 C 26.02 0.20 1 605 57 57 ILE CG2 C 19.80 0.20 1 606 57 57 ILE N N 115.07 0.20 1 607 58 58 GLY H H 6.75 0.02 1 608 58 58 GLY HA2 H 4.40 0.02 2 609 58 58 GLY HA3 H 1.26 0.02 2 610 58 58 GLY C C 171.92 0.20 1 611 58 58 GLY CA C 43.46 0.20 1 612 58 58 GLY N N 107.52 0.20 1 613 59 59 LEU H H 8.85 0.02 1 614 59 59 LEU HA H 4.68 0.02 1 615 59 59 LEU HB2 H 1.91 0.02 2 616 59 59 LEU HB3 H 0.99 0.02 2 617 59 59 LEU HD1 H 0.87 0.02 2 618 59 59 LEU HD2 H 0.87 0.02 2 619 59 59 LEU HG H 1.60 0.02 1 620 59 59 LEU C C 173.88 0.20 1 621 59 59 LEU CA C 52.77 0.20 1 622 59 59 LEU CB C 43.11 0.20 1 623 59 59 LEU CD1 C 23.69 0.20 2 624 59 59 LEU CD2 C 25.85 0.20 2 625 59 59 LEU CG C 26.90 0.20 1 626 59 59 LEU N N 124.22 0.20 1 627 60 60 ARG H H 8.65 0.02 1 628 60 60 ARG HA H 4.80 0.02 1 629 60 60 ARG HB2 H 1.92 0.02 2 630 60 60 ARG HB3 H 1.28 0.02 2 631 60 60 ARG HD2 H 3.08 0.02 2 632 60 60 ARG HD3 H 3.17 0.02 2 633 60 60 ARG HG2 H 1.29 0.02 2 634 60 60 ARG HG3 H 1.46 0.02 2 635 60 60 ARG C C 175.20 0.20 1 636 60 60 ARG CA C 55.45 0.20 1 637 60 60 ARG CB C 31.91 0.20 1 638 60 60 ARG CD C 44.19 0.20 1 639 60 60 ARG CG C 27.38 0.20 1 640 60 60 ARG N N 124.31 0.20 1 641 61 61 ILE H H 8.93 0.02 1 642 61 61 ILE HA H 4.48 0.02 1 643 61 61 ILE HB H 1.94 0.02 1 644 61 61 ILE HD1 H 0.61 0.02 1 645 61 61 ILE HG12 H 1.39 0.02 2 646 61 61 ILE HG13 H 1.21 0.02 2 647 61 61 ILE HG2 H 0.86 0.02 1 648 61 61 ILE C C 176.49 0.20 1 649 61 61 ILE CA C 59.31 0.20 1 650 61 61 ILE CB C 38.48 0.20 1 651 61 61 ILE CD1 C 12.49 0.20 1 652 61 61 ILE CG1 C 26.54 0.20 1 653 61 61 ILE CG2 C 17.89 0.20 1 654 61 61 ILE N N 128.29 0.20 1 655 62 62 ALA H H 8.53 0.02 1 656 62 62 ALA HA H 4.11 0.02 1 657 62 62 ALA HB H 1.46 0.02 1 658 62 62 ALA CA C 54.53 0.20 1 659 62 62 ALA CB C 18.45 0.20 1 660 62 62 ALA N N 128.05 0.20 1 661 63 63 GLY HA2 H 4.30 0.02 2 662 63 63 GLY HA3 H 3.74 0.02 2 663 63 63 GLY C C 175.37 0.20 1 664 63 63 GLY CA C 45.44 0.20 1 665 64 64 GLY H H 8.21 0.02 1 666 64 64 GLY HA2 H 4.23 0.02 2 667 64 64 GLY HA3 H 3.80 0.02 2 668 64 64 GLY C C 173.75 0.20 1 669 64 64 GLY CA C 45.33 0.20 1 670 64 64 GLY N N 107.99 0.20 1 671 65 65 ALA H H 8.00 0.02 1 672 65 65 ALA HA H 4.39 0.02 1 673 65 65 ALA HB H 1.41 0.02 1 674 65 65 ALA C C 175.60 0.20 1 675 65 65 ALA CA C 52.44 0.20 1 676 65 65 ALA CB C 19.99 0.20 1 677 65 65 ALA N N 125.80 0.20 1 678 66 66 ILE H H 8.00 0.02 1 679 66 66 ILE HA H 4.70 0.02 1 680 66 66 ILE HB H 1.49 0.02 1 681 66 66 ILE HD1 H 0.86 0.02 1 682 66 66 ILE HG12 H 1.61 0.02 2 683 66 66 ILE HG13 H 0.38 0.02 2 684 66 66 ILE HG2 H -0.24 0.02 1 685 66 66 ILE C C 174.70 0.20 1 686 66 66 ILE CA C 60.45 0.20 1 687 66 66 ILE CB C 40.91 0.20 1 688 66 66 ILE CD1 C 14.13 0.20 1 689 66 66 ILE CG1 C 27.78 0.20 1 690 66 66 ILE CG2 C 16.57 0.20 1 691 66 66 ILE N N 118.15 0.20 1 692 67 67 LEU H H 8.24 0.02 1 693 67 67 LEU HA H 4.72 0.02 1 694 67 67 LEU HB2 H 1.73 0.02 2 695 67 67 LEU HB3 H 1.21 0.02 2 696 67 67 LEU HD1 H 0.94 0.02 2 697 67 67 LEU HD2 H 0.79 0.02 2 698 67 67 LEU HG H 1.33 0.02 1 699 67 67 LEU C C 174.53 0.20 1 700 67 67 LEU CA C 53.05 0.20 1 701 67 67 LEU CB C 44.63 0.20 1 702 67 67 LEU CD1 C 23.03 0.20 2 703 67 67 LEU CD2 C 25.99 0.20 2 704 67 67 LEU CG C 27.00 0.20 1 705 67 67 LEU N N 127.80 0.20 1 706 68 68 TRP H H 9.99 0.02 1 707 68 68 TRP HA H 5.679 0.02 1 708 68 68 TRP HB2 H 3.27 0.02 2 709 68 68 TRP HB3 H 2.53 0.02 2 710 68 68 TRP HD1 H 7.21 0.02 1 711 68 68 TRP HE1 H 10.38 0.02 1 712 68 68 TRP HE3 H 7.08 0.02 1 713 68 68 TRP HH2 H 7.32 0.02 1 714 68 68 TRP HZ2 H 7.45 0.02 1 715 68 68 TRP HZ3 H 7.22 0.02 1 716 68 68 TRP C C 174.50 0.20 1 717 68 68 TRP CA C 55.33 0.20 1 718 68 68 TRP CB C 30.48 0.20 1 719 68 68 TRP CD1 C 128.60 0.20 1 720 68 68 TRP CE3 C 120.69 0.20 1 721 68 68 TRP CH2 C 125.8 0.20 1 722 68 68 TRP CZ2 C 115.00 0.20 1 723 68 68 TRP CZ3 C 122.47 0.20 1 724 68 68 TRP N N 129.40 0.20 1 725 68 68 TRP NE1 N 131.5 0.20 1 726 69 69 ALA H H 8.83 0.02 1 727 69 69 ALA HA H 5.24 0.02 1 728 69 69 ALA HB H 1.19 0.02 1 729 69 69 ALA C C 176.30 0.02 1 730 69 69 ALA CA C 49.59 0.20 1 731 69 69 ALA CB C 22.59 0.20 1 732 69 69 ALA N N 124.37 0.20 1 733 70 70 THR H H 8.74 0.02 1 734 70 70 THR HA H 5.15 0.02 1 735 70 70 THR HB H 4.82 0.02 1 736 70 70 THR HG2 H 1.46 0.02 1 737 70 70 THR CA C 60.95 0.20 1 738 70 70 THR CB C 68.12 0.20 1 739 70 70 THR CG2 C 24.69 0.20 1 740 70 70 THR N N 111.54 0.20 1 741 71 71 PRO HA H 4.16 0.02 1 742 71 71 PRO HB2 H 2.37 0.02 2 743 71 71 PRO HB3 H 2.12 0.02 2 744 71 71 PRO HD2 H 4.01 0.02 2 745 71 71 PRO HD3 H 3.87 0.02 2 746 71 71 PRO HG2 H 2.25 0.02 2 747 71 71 PRO HG3 H 2.06 0.02 2 748 71 71 PRO C C 176.30 0.20 1 749 71 71 PRO CA C 64.80 0.20 1 750 71 71 PRO CB C 31.83 0.20 1 751 71 71 PRO CD C 50.65 0.20 1 752 71 71 PRO CG C 28.01 0.20 1 753 72 72 ASP H H 8.73 0.02 1 754 72 72 ASP HA H 4.50 0.02 1 755 72 72 ASP HB2 H 2.80 0.02 2 756 72 72 ASP HB3 H 2.64 0.02 2 757 72 72 ASP C C 175.89 0.20 1 758 72 72 ASP CA C 53.41 0.20 1 759 72 72 ASP CB C 40.59 0.20 1 760 72 72 ASP N N 112.39 0.20 1 761 73 73 HIS H H 8.34 0.02 1 762 73 73 HIS HA H 3.78 0.02 1 763 73 73 HIS HB2 H 3.33 0.02 2 764 73 73 HIS HB3 H 3.10 0.02 2 765 73 73 HIS HD2 H 7.16 0.02 1 766 73 73 HIS HE1 H 8.04 0.02 1 767 73 73 HIS HE2 H 12.40 0.20 1 768 73 73 HIS C C 176.03 0.20 1 769 73 73 HIS CA C 58.80 0.20 1 770 73 73 HIS CB C 32.92 0.20 1 771 73 73 HIS CD2 C 117.1 0.20 1 772 73 73 HIS CE1 C 138.84 0.20 1 773 73 73 HIS N N 125.23 0.20 1 774 73 73 HIS ND1 N 242.10 0.20 1 775 73 73 HIS NE2 N 166.30 0.20 1 776 74 74 LYS H H 8.41 0.02 1 777 74 74 LYS HA H 4.64 0.02 1 778 74 74 LYS HB2 H 1.56 0.02 2 779 74 74 LYS HB3 H 1.42 0.02 2 780 74 74 LYS HD2 H 1.33 0.02 2 781 74 74 LYS HD3 H 1.21 0.02 2 782 74 74 LYS HE2 H 2.74 0.02 2 783 74 74 LYS HE3 H 2.74 0.02 2 784 74 74 LYS HG2 H 1.38 0.02 2 785 74 74 LYS HG3 H 1.21 0.02 2 786 74 74 LYS C C 175.25 0.20 1 787 74 74 LYS CA C 57.52 0.20 1 788 74 74 LYS CB C 33.42 0.20 1 789 74 74 LYS CD C 28.59 0.20 1 790 74 74 LYS CE C 41.75 0.20 1 791 74 74 LYS CG C 25.70 0.20 1 792 74 74 LYS N N 127.60 0.20 1 793 75 75 VAL H H 9.46 0.02 1 794 75 75 VAL HA H 4.73 0.02 1 795 75 75 VAL HB H 1.97 0.02 1 796 75 75 VAL HG1 H 0.96 0.02 2 797 75 75 VAL HG2 H 1.00 0.02 2 798 75 75 VAL C C 174.26 0.20 1 799 75 75 VAL CA C 61.30 0.20 1 800 75 75 VAL CB C 35.81 0.20 1 801 75 75 VAL CG1 C 22.15 0.20 2 802 75 75 VAL CG2 C 21.28 0.20 2 803 75 75 VAL N N 125.73 0.20 1 804 76 76 LEU H H 8.31 0.02 1 805 76 76 LEU HA H 3.50 0.02 1 806 76 76 LEU HB2 H 1.43 0.02 2 807 76 76 LEU HB3 H -0.26 0.02 2 808 76 76 LEU HD1 H 0.42 0.02 2 809 76 76 LEU HD2 H -0.27 0.02 2 810 76 76 LEU HG H 1.05 0.02 1 811 76 76 LEU C C 174.62 0.20 1 812 76 76 LEU CA C 55.71 0.20 1 813 76 76 LEU CB C 39.48 0.20 1 814 76 76 LEU CD1 C 24.60 0.20 2 815 76 76 LEU CD2 C 19.53 0.20 2 816 76 76 LEU CG C 25.93 0.20 1 817 76 76 LEU N N 129.88 0.20 1 818 77 77 THR H H 7.40 0.02 1 819 77 77 THR HA H 5.29 0.02 1 820 77 77 THR HB H 4.71 0.02 1 821 77 77 THR HG2 H 1.30 0.02 1 822 77 77 THR C C 176.02 0.20 1 823 77 77 THR CA C 59.91 0.20 1 824 77 77 THR CB C 73.49 0.20 1 825 77 77 THR CG2 C 24.82 0.20 1 826 77 77 THR N N 116.25 0.20 1 827 78 78 GLU H H 8.24 0.02 1 828 78 78 GLU HA H 3.56 0.02 1 829 78 78 GLU HB2 H 1.32 0.02 2 830 78 78 GLU HB3 H 1.00 0.02 2 831 78 78 GLU HG2 H 1.45 0.02 2 832 78 78 GLU HG3 H 0.89 0.02 2 833 78 78 GLU C C 174.86 0.20 1 834 78 78 GLU CA C 57.89 0.20 1 835 78 78 GLU CB C 28.86 0.20 1 836 78 78 GLU CG C 34.78 0.20 1 837 78 78 GLU N N 120.07 0.20 1 838 79 79 TYR H H 7.75 0.02 1 839 79 79 TYR HA H 4.77 0.02 1 840 79 79 TYR HB2 H 3.40 0.02 2 841 79 79 TYR HB3 H 2.34 0.02 2 842 79 79 TYR HD1 H 7.02 0.02 1 843 79 79 TYR HD2 H 7.02 0.02 1 844 79 79 TYR HE1 H 6.71 0.02 1 845 79 79 TYR HE2 H 6.71 0.02 1 846 79 79 TYR C C 175.22 0.20 1 847 79 79 TYR CA C 56.21 0.20 1 848 79 79 TYR CB C 38.38 0.20 1 849 79 79 TYR CD1 C 132.80 0.20 1 850 79 79 TYR CD2 C 132.80 0.20 1 851 79 79 TYR CE1 C 118.10 0.20 1 852 79 79 TYR CE2 C 118.10 0.20 1 853 79 79 TYR N N 117.32 0.20 1 854 80 80 GLY H H 7.36 0.02 1 855 80 80 GLY HA2 H 4.65 0.02 2 856 80 80 GLY HA3 H 3.55 0.02 2 857 80 80 GLY C C 175.86 0.20 1 858 80 80 GLY CA C 43.28 0.20 1 859 80 80 GLY N N 106.96 0.20 1 860 81 81 TRP H H 9.07 0.02 1 861 81 81 TRP HA H 4.89 0.02 1 862 81 81 TRP HB2 H 3.19 0.02 2 863 81 81 TRP HB3 H 2.919 0.02 2 864 81 81 TRP HD1 H 7.43 0.02 1 865 81 81 TRP HE1 H 10.46 0.02 1 866 81 81 TRP HE3 H 7.213 0.02 1 867 81 81 TRP HH2 H 6.88 0.02 1 868 81 81 TRP HZ2 H 7.54 0.02 1 869 81 81 TRP HZ3 H 7.09 0.02 1 870 81 81 TRP C C 177.28 0.20 1 871 81 81 TRP CA C 58.29 0.20 1 872 81 81 TRP CB C 29.72 0.20 1 873 81 81 TRP CD1 C 127.9 0.20 1 874 81 81 TRP CE3 C 119.45 0.20 1 875 81 81 TRP CH2 C 123.65 0.20 1 876 81 81 TRP CZ2 C 115.25 0.20 1 877 81 81 TRP CZ3 C 122.95 0.20 1 878 81 81 TRP N N 125.75 0.20 1 879 81 81 TRP NE1 N 130.37 0.20 1 880 82 82 ARG H H 9.45 0.02 1 881 82 82 ARG HA H 4.78 0.02 1 882 82 82 ARG HB2 H 1.81 0.02 2 883 82 82 ARG HB3 H 1.58 0.02 2 884 82 82 ARG HD2 H 3.22 0.02 2 885 82 82 ARG HD3 H 3.13 0.02 2 886 82 82 ARG HG2 H 1.59 0.02 2 887 82 82 ARG HG3 H 1.59 0.02 2 888 82 82 ARG C C 174.42 0.20 1 889 82 82 ARG CA C 54.32 0.20 1 890 82 82 ARG CB C 35.14 0.20 1 891 82 82 ARG CD C 43.22 0.20 1 892 82 82 ARG CG C 26.71 0.20 1 893 82 82 ARG N N 124.68 0.20 1 894 83 83 ALA H H 8.81 0.02 1 895 83 83 ALA HA H 4.31 0.02 1 896 83 83 ALA HB H 1.47 0.02 1 897 83 83 ALA C C 179.02 0.20 1 898 83 83 ALA CA C 52.39 0.20 1 899 83 83 ALA CB C 18.47 0.20 1 900 83 83 ALA N N 125.97 0.20 1 901 84 84 ALA H H 9.35 0.02 1 902 84 84 ALA HA H 3.93 0.02 1 903 84 84 ALA HB H 1.49 0.02 1 904 84 84 ALA C C 179.88 0.20 1 905 84 84 ALA CA C 55.63 0.20 1 906 84 84 ALA CB C 17.79 0.20 1 907 84 84 ALA N N 125.85 0.20 1 908 85 85 GLY H H 9.73 0.02 1 909 85 85 GLY HA2 H 3.95 0.02 1 910 85 85 GLY HA3 H 3.95 0.02 1 911 85 85 GLY C C 174.32 0.20 1 912 85 85 GLY CA C 46.01 0.20 1 913 85 85 GLY N N 102.28 0.20 1 914 86 86 GLU H H 8.16 0.02 1 915 86 86 GLU HA H 4.42 0.02 1 916 86 86 GLU HB2 H 2.17 0.02 2 917 86 86 GLU HB3 H 2.17 0.02 2 918 86 86 GLU HG2 H 2.45 0.02 2 919 86 86 GLU HG3 H 2.33 0.02 2 920 86 86 GLU C C 176.84 0.20 1 921 86 86 GLU CA C 55.89 0.20 1 922 86 86 GLU CB C 30.60 0.20 1 923 86 86 GLU CG C 36.74 0.20 1 924 86 86 GLU N N 117.65 0.20 1 925 87 87 LEU H H 7.21 0.02 1 926 87 87 LEU HA H 4.41 0.02 1 927 87 87 LEU HB2 H 1.91 0.02 2 928 87 87 LEU HB3 H 1.26 0.02 2 929 87 87 LEU HD1 H 0.79 0.02 2 930 87 87 LEU HD2 H 0.80 0.02 2 931 87 87 LEU HG H 1.94 0.02 1 932 87 87 LEU C C 176.32 0.20 1 933 87 87 LEU CA C 54.86 0.20 1 934 87 87 LEU CB C 42.02 0.20 1 935 87 87 LEU CD1 C 25.88 0.20 2 936 87 87 LEU CD2 C 23.07 0.20 2 937 87 87 LEU CG C 26.49 0.20 1 938 87 87 LEU N N 119.80 0.20 1 939 88 88 ARG H H 9.13 0.02 1 940 88 88 ARG HA H 4.62 0.02 1 941 88 88 ARG HB2 H 1.81 0.02 2 942 88 88 ARG HB3 H 1.61 0.02 2 943 88 88 ARG HD2 H 3.26 0.02 2 944 88 88 ARG HD3 H 3.16 0.02 2 945 88 88 ARG HG2 H 1.60 0.02 2 946 88 88 ARG HG3 H 1.60 0.02 2 947 88 88 ARG C C 175.19 0.20 1 948 88 88 ARG CA C 53.18 0.20 1 949 88 88 ARG CB C 34.15 0.20 1 950 88 88 ARG CD C 43.50 0.20 1 951 88 88 ARG CG C 26.37 0.20 1 952 88 88 ARG N N 120.92 0.20 1 953 89 89 LYS H H 8.43 0.02 1 954 89 89 LYS HA H 3.67 0.02 1 955 89 89 LYS HB2 H 1.66 0.02 1 956 89 89 LYS HB3 H 1.66 0.02 1 957 89 89 LYS HD2 H 1.77 0.02 2 958 89 89 LYS HD3 H 1.77 0.02 2 959 89 89 LYS HE2 H 3.05 0.02 2 960 89 89 LYS HE3 H 3.05 0.02 2 961 89 89 LYS HG2 H 1.44 0.02 2 962 89 89 LYS HG3 H 1.24 0.02 2 963 89 89 LYS C C 177.41 0.20 1 964 89 89 LYS CA C 58.36 0.20 1 965 89 89 LYS CB C 32.32 0.20 1 966 89 89 LYS CD C 24.26 0.20 1 967 89 89 LYS CE C 41.79 0.20 1 968 89 89 LYS CG C 29.72 0.20 1 969 89 89 LYS N N 119.88 0.20 1 970 90 90 GLY H H 8.91 0.02 1 971 90 90 GLY HA2 H 4.56 0.02 2 972 90 90 GLY HA3 H 3.43 0.02 2 973 90 90 GLY C C 174.71 0.20 1 974 90 90 GLY CA C 45.08 0.20 1 975 90 90 GLY N N 115.15 0.20 1 976 91 91 ASP H H 8.20 0.02 1 977 91 91 ASP HA H 4.71 0.02 1 978 91 91 ASP HB2 H 3.02 0.02 2 979 91 91 ASP HB3 H 2.55 0.02 2 980 91 91 ASP C C 175.46 0.20 1 981 91 91 ASP CA C 55.74 0.20 1 982 91 91 ASP CB C 42.02 0.20 1 983 91 91 ASP N N 121.74 0.20 1 984 92 92 ARG H H 8.78 0.02 1 985 92 92 ARG HA H 5.24 0.02 1 986 92 92 ARG HB2 H 1.68 0.02 2 987 92 92 ARG HB3 H 1.34 0.02 2 988 92 92 ARG HD2 H 3.13 0.02 2 989 92 92 ARG HD3 H 2.97 0.02 2 990 92 92 ARG HG2 H 1.74 0.02 2 991 92 92 ARG HG3 H 1.29 0.02 2 992 92 92 ARG C C 176.92 0.20 1 993 92 92 ARG CA C 55.57 0.20 1 994 92 92 ARG CB C 32.23 0.20 1 995 92 92 ARG CD C 43.58 0.20 1 996 92 92 ARG CG C 28.18 0.20 1 997 92 92 ARG N N 117.88 0.20 1 998 93 93 VAL H H 8.86 0.02 1 999 93 93 VAL HA H 4.82 0.02 1 1000 93 93 VAL HB H 2.15 0.02 1 1001 93 93 VAL HG1 H 0.79 0.02 2 1002 93 93 VAL HG2 H 0.72 0.02 2 1003 93 93 VAL C C 173.81 0.20 1 1004 93 93 VAL CA C 58.77 0.20 1 1005 93 93 VAL CB C 34.10 0.20 1 1006 93 93 VAL CG1 C 23.37 0.20 1 1007 93 93 VAL CG2 C 23.28 0.20 1 1008 93 93 VAL N N 115.14 0.20 1 1009 94 94 ALA H H 8.59 0.02 1 1010 94 94 ALA HA H 4.26 0.02 1 1011 94 94 ALA HB H 0.93 0.02 1 1012 94 94 ALA C C 175.54 0.20 1 1013 94 94 ALA CA C 51.43 0.20 1 1014 94 94 ALA CB C 19.23 0.20 1 1015 94 94 ALA N N 126.31 0.20 1 1016 95 95 VAL H H 8.88 0.02 1 1017 95 95 VAL HA H 5.31 0.02 1 1018 95 95 VAL HB H 2.05 0.02 1 1019 95 95 VAL HG1 H 0.78 0.02 2 1020 95 95 VAL HG2 H 0.47 0.02 2 1021 95 95 VAL C C 174.81 0.20 1 1022 95 95 VAL CA C 57.54 0.20 1 1023 95 95 VAL CB C 35.60 0.20 1 1024 95 95 VAL CG1 C 21.76 0.20 2 1025 95 95 VAL CG2 C 18.34 0.20 2 1026 95 95 VAL N N 115.24 0.20 1 1027 96 96 ARG H H 8.08 0.02 1 1028 96 96 ARG HA H 4.23 0.02 1 1029 96 96 ARG HB2 H 1.55 0.02 2 1030 96 96 ARG HB3 H 1.07 0.0 2 1031 96 96 ARG HD2 H 3.11 0.02 2 1032 96 96 ARG HD3 H 2.90 0.02 2 1033 96 96 ARG HG2 H 0.98 0.02 2 1034 96 96 ARG HG3 H 0.98 0.02 2 1035 96 96 ARG C C 175.69 0.20 1 1036 96 96 ARG CA C 54.24 0.20 1 1037 96 96 ARG CB C 32.14 0.20 1 1038 96 96 ARG CD C 43.43 0.20 1 1039 96 96 ARG CG C 27.94 0.20 1 1040 96 96 ARG N N 119.44 0.20 1 1041 97 97 ASP H H 8.90 0.02 1 1042 97 97 ASP HA H 4.42 0.02 1 1043 97 97 ASP HB2 H 2.84 0.02 2 1044 97 97 ASP HB3 H 2.25 0.02 2 1045 97 97 ASP C C 177.07 0.20 1 1046 97 97 ASP CA C 54.48 0.20 1 1047 97 97 ASP CB C 43.21 0.20 1 1048 97 97 ASP N N 131.24 0.20 1 1049 98 98 VAL H H 8.43 0.02 1 1050 98 98 VAL HA H 3.49 0.02 1 1051 98 98 VAL HB H 1.97 0.02 1 1052 98 98 VAL HG1 H 0.87 0.02 2 1053 98 98 VAL HG2 H 0.83 0.02 2 1054 98 98 VAL C C 177.24 0.20 1 1055 98 98 VAL CA C 65.20 0.20 1 1056 98 98 VAL CB C 31.65 0.20 1 1057 98 98 VAL CG1 C 21.09 0.20 1 1058 98 98 VAL CG2 C 21.09 0.20 1 1059 98 98 VAL N N 126.18 0.20 1 1060 99 99 GLU H H 8.19 0.02 1 1061 99 99 GLU HA H 4.12 0.02 1 1062 99 99 GLU HB2 H 2.10 0.02 2 1063 99 99 GLU HB3 H 2.05 0.02 2 1064 99 99 GLU HG2 H 2.12 0.02 2 1065 99 99 GLU HG3 H 2.12 0.02 2 1066 99 99 GLU C C 178.40 0.20 1 1067 99 99 GLU CA C 58.70 0.20 1 1068 99 99 GLU CB C 29.95 0.20 1 1069 99 99 GLU CG C 36.46 0.20 1 1070 99 99 GLU N N 118.94 0.20 1 1071 100 100 THR H H 8.03 0.02 1 1072 100 100 THR HA H 4.32 0.02 1 1073 100 100 THR HB H 4.19 0.02 1 1074 100 100 THR HG2 H 1.18 0.02 1 1075 100 100 THR C C 176.82 0.20 1 1076 100 100 THR CA C 62.16 0.20 1 1077 100 100 THR CB C 71.36 0.20 1 1078 100 100 THR CG2 C 21.10 0.20 1 1079 100 100 THR N N 106.36 0.20 1 1080 101 101 GLY H H 8.19 0.02 1 1081 101 101 GLY HA2 H 4.05 0.02 2 1082 101 101 GLY HA3 H 3.47 0.02 2 1083 101 101 GLY C C 173.37 0.20 1 1084 101 101 GLY CA C 45.45 0.20 1 1085 101 101 GLY N N 111.26 0.20 1 1086 102 102 GLU H H 7.53 0.02 1 1087 102 102 GLU HA H 4.30 0.02 1 1088 102 102 GLU HB2 H 1.75 0.02 2 1089 102 102 GLU HB3 H 1.94 0.02 2 1090 102 102 GLU HG2 H 2.12 0.02 2 1091 102 102 GLU HG3 H 1.99 0.02 2 1092 102 102 GLU C C 174.76 0.20 1 1093 102 102 GLU CA C 55.32 0.20 1 1094 102 102 GLU CB C 32.47 0.20 1 1095 102 102 GLU CG C 36.16 0.20 1 1096 102 102 GLU N N 118.50 0.20 1 1097 103 103 LEU H H 8.38 0.02 1 1098 103 103 LEU HA H 4.71 0.02 1 1099 103 103 LEU HB2 H 1.47 0.02 2 1100 103 103 LEU HB3 H 1.34 0.02 2 1101 103 103 LEU HD1 H 0.64 0.02 2 1102 103 103 LEU HD2 H 0.46 0.02 2 1103 103 103 LEU HG H 1.55 0.02 1 1104 103 103 LEU C C 177.19 0.20 1 1105 103 103 LEU CA C 56.30 0.20 1 1106 103 103 LEU CB C 42.89 0.20 1 1107 103 103 LEU CD1 C 25.25 0.20 2 1108 103 103 LEU CD2 C 27.20 0.20 2 1109 103 103 LEU CG C 27.53 0.20 1 1110 103 103 LEU N N 121.82 0.20 1 1111 104 104 ARG H H 9.08 0.02 1 1112 104 104 ARG HA H 4.39 0.02 1 1113 104 104 ARG HB2 H 1.84 0.02 2 1114 104 104 ARG HB3 H 1.52 0.02 2 1115 104 104 ARG HD2 H 3.29 0.02 2 1116 104 104 ARG HD3 H 3.10 0.02 2 1117 104 104 ARG HG2 H 1.38 0.02 2 1118 104 104 ARG HG3 H 1.38 0.02 2 1119 104 104 ARG C C 172.84 0.20 1 1120 104 104 ARG CA C 53.95 0.20 1 1121 104 104 ARG CB C 33.34 0.20 1 1122 104 104 ARG CD C 43.02 0.20 1 1123 104 104 ARG CG C 27.10 0.20 1 1124 104 104 ARG N N 127.17 0.20 1 1125 105 105 TYR H H 8.33 0.02 1 1126 105 105 TYR HA H 5.49 0.02 1 1127 105 105 TYR HB2 H 2.64 0.02 2 1128 105 105 TYR HB3 H 2.51 0.02 2 1129 105 105 TYR HD1 H 6.68 0.02 1 1130 105 105 TYR HD2 H 6.68 0.02 1 1131 105 105 TYR HE1 H 6.30 0.02 1 1132 105 105 TYR HE2 H 6.30 0.02 1 1133 105 105 TYR C C 176.61 0.20 1 1134 105 105 TYR CA C 57.37 0.20 1 1135 105 105 TYR CB C 40.72 0.20 1 1136 105 105 TYR CD1 C 132.20 0.20 1 1137 105 105 TYR CD2 C 132.20 0.20 1 1138 105 105 TYR CE1 C 117.30 0.20 1 1139 105 105 TYR CE2 C 117.30 0.20 1 1140 105 105 TYR N N 116.25 0.20 1 1141 106 106 SER H H 9.28 0.02 1 1142 106 106 SER HA H 4.88 0.02 1 1143 106 106 SER HB2 H 3.68 0.02 2 1144 106 106 SER HB3 H 3.49 0.02 2 1145 106 106 SER C C 173.19 0.20 1 1146 106 106 SER CA C 56.66 0.20 1 1147 106 106 SER CB C 66.87 0.20 1 1148 106 106 SER N N 118.30 0.20 1 1149 107 107 VAL H H 8.31 0.02 1 1150 107 107 VAL HA H 4.40 0.02 1 1151 107 107 VAL HB H 1.87 0.02 1 1152 107 107 VAL HG1 H 0.95 0.02 1 1153 107 107 VAL HG2 H 0.88 0.02 2 1154 107 107 VAL C C 175.27 0.20 1 1155 107 107 VAL CA C 61.89 0.20 1 1156 107 107 VAL CB C 33.81 0.20 1 1157 107 107 VAL CG1 C 22.40 0.20 2 1158 107 107 VAL CG2 C 20.66 0.20 2 1159 107 107 VAL N N 122.30 0.20 1 1160 108 108 ILE H H 8.72 0.02 1 1161 108 108 ILE HA H 4.09 0.02 1 1162 108 108 ILE HB H 2.00 0.02 1 1163 108 108 ILE HD1 H 0.80 0.02 1 1164 108 108 ILE HG12 H 1.74 0.02 2 1165 108 108 ILE HG13 H 0.84 0.02 2 1166 108 108 ILE HG2 H 0.65 0.02 1 1167 108 108 ILE C C 176.98 0.20 1 1168 108 108 ILE CA C 61.81 0.20 1 1169 108 108 ILE CB C 37.87 0.20 1 1170 108 108 ILE CD1 C 15.25 0.20 1 1171 108 108 ILE CG1 C 27.80 0.20 1 1172 108 108 ILE CG2 C 18.09 0.20 1 1173 108 108 ILE N N 123.54 0.20 1 1174 109 109 ARG H H 9.45 0.02 1 1175 109 109 ARG HA H 4.23 0.02 1 1176 109 109 ARG HB2 H 1.42 0.02 2 1177 109 109 ARG HB3 H 1.81 0.02 2 1178 109 109 ARG HD2 H 3.15 0.02 2 1179 109 109 ARG HD3 H 3.15 0.02 2 1180 109 109 ARG HG2 H 1.69 0.02 2 1181 109 109 ARG HG3 H 1.58 0.02 2 1182 109 109 ARG C C 175.71 0.20 1 1183 109 109 ARG CA C 56.20 0.20 1 1184 109 109 ARG CB C 31.49 0.20 1 1185 109 109 ARG CD C 42.82 0.20 1 1186 109 109 ARG CG C 26.29 0.20 1 1187 109 109 ARG N N 130.33 0.20 1 1188 110 110 GLU H H 7.61 0.02 1 1189 110 110 GLU HA H 4.28 0.02 1 1190 110 110 GLU HB2 H 1.99 0.02 2 1191 110 110 GLU HB3 H 1.76 0.02 2 1192 110 110 GLU HG2 H 2.26 0.02 2 1193 110 110 GLU HG3 H 2.03 0.02 2 1194 110 110 GLU C C 172.38 0.20 1 1195 110 110 GLU CA C 56.05 0.20 1 1196 110 110 GLU CB C 33.74 0.20 1 1197 110 110 GLU CG C 35.74 0.20 1 1198 110 110 GLU N N 116.80 0.20 1 1199 111 111 VAL H H 8.74 0.02 1 1200 111 111 VAL HA H 4.71 0.02 1 1201 111 111 VAL HB H 1.91 0.02 1 1202 111 111 VAL HG1 H 0.90 0.02 2 1203 111 111 VAL HG2 H 0.72 0.02 2 1204 111 111 VAL C C 176.16 0.20 1 1205 111 111 VAL CA C 61.43 0.20 1 1206 111 111 VAL CB C 32.47 0.20 1 1207 111 111 VAL CG1 C 21.76 0.20 2 1208 111 111 VAL CG2 C 20.86 0.20 2 1209 111 111 VAL N N 125.76 0.20 1 1210 112 112 LEU H H 9.85 0.02 1 1211 112 112 LEU HA H 4.70 0.02 1 1212 112 112 LEU HB2 H 1.80 0.02 2 1213 112 112 LEU HB3 H 1.05 0.02 2 1214 112 112 LEU HD1 H 0.81 0.02 2 1215 112 112 LEU HD2 H 0.67 0.02 2 1216 112 112 LEU HG H 1.47 0.02 1 1217 112 112 LEU CA C 53.28 0.20 1 1218 112 112 LEU CB C 41.66 0.20 1 1219 112 112 LEU CD1 C 24.46 0.20 2 1220 112 112 LEU CD2 C 25.62 0.20 2 1221 112 112 LEU CG C 29.17 0.20 1 1222 112 112 LEU N N 132.73 0.20 1 1223 113 113 PRO HA H 4.52 0.02 1 1224 113 113 PRO HB2 H 2.45 0.02 2 1225 113 113 PRO HB3 H 2.10 0.02 2 1226 113 113 PRO HD2 H 3.94 0.02 2 1227 113 113 PRO HD3 H 3.73 0.02 2 1228 113 113 PRO HG2 H 2.10 0.02 2 1229 113 113 PRO HG3 H 2.10 0.02 2 1230 113 113 PRO C C 175.18 0.20 1 1231 113 113 PRO CA C 62.71 0.20 1 1232 113 113 PRO CB C 33.10 0.20 1 1233 113 113 PRO CD C 52.64 0.20 1 1234 113 113 PRO CG C 27.20 0.20 1 1235 114 114 THR H H 7.73 0.02 1 1236 114 114 THR HA H 4.97 0.02 1 1237 114 114 THR HB H 3.89 0.02 1 1238 114 114 THR HG2 H 1.15 0.02 1 1239 114 114 THR C C 174.53 0.20 1 1240 114 114 THR CA C 62.51 0.20 1 1241 114 114 THR CB C 69.81 0.20 1 1242 114 114 THR CG2 C 22.41 0.20 1 1243 114 114 THR N N 112.70 0.20 1 1244 115 115 ARG H H 9.15 0.02 1 1245 115 115 ARG HA H 4.70 0.02 1 1246 115 115 ARG HB2 H 1.70 0.02 2 1247 115 115 ARG HB3 H 1.30 0.02 2 1248 115 115 ARG HG2 H 0.86 0.02 2 1249 115 115 ARG C C 173.22 0.20 1 1250 115 115 ARG CA C 54.19 0.20 1 1251 115 115 ARG CB C 32.34 0.20 1 1252 115 115 ARG N N 123.27 0.20 1 1253 116 116 ARG H H 8.39 0.02 1 1254 116 116 ARG HA H 4.85 0.02 1 1255 116 116 ARG HB2 H 1.59 0.02 2 1256 116 116 ARG HB3 H 1.39 0.02 2 1257 116 116 ARG HD2 H 3.12 0.02 2 1258 116 116 ARG HD3 H 3.02 0.02 2 1259 116 116 ARG HG2 H 1.55 0.02 1 1260 116 116 ARG HG3 H 1.55 0.02 1 1261 116 116 ARG C C 176.36 0.20 1 1262 116 116 ARG CA C 55.11 0.20 1 1263 116 116 ARG CB C 30.84 0.20 1 1264 116 116 ARG CD C 42.83 0.20 1 1265 116 116 ARG CG C 26.90 0.20 1 1266 116 116 ARG N N 119.24 0.20 1 1267 117 117 ALA H H 8.75 0.02 1 1268 117 117 ALA HA H 4.58 0.02 1 1269 117 117 ALA HB H 1.22 0.02 1 1270 117 117 ALA C C 175.88 0.20 1 1271 117 117 ALA CA C 50.94 0.20 1 1272 117 117 ALA CB C 23.63 0.20 1 1273 117 117 ALA N N 125.01 0.20 1 1274 118 118 ARG H H 8.74 0.02 1 1275 118 118 ARG HA H 3.94 0.02 1 1276 118 118 ARG HB2 H 1.91 0.02 2 1277 118 118 ARG HB3 H 1.76 0.02 2 1278 118 118 ARG HD2 H 3.26 0.02 1 1279 118 118 ARG HD3 H 3.26 0.02 1 1280 118 118 ARG HG2 H 1.75 0.02 2 1281 118 118 ARG HG3 H 1.57 0.02 2 1282 118 118 ARG C C 176.50 0.20 1 1283 118 118 ARG CA C 58.22 0.20 1 1284 118 118 ARG CB C 30.68 0.20 1 1285 118 118 ARG CD C 43.89 0.20 1 1286 118 118 ARG CG C 27.55 0.20 1 1287 118 118 ARG N N 120.91 0.20 1 1288 119 119 THR H H 7.76 0.02 1 1289 119 119 THR HA H 5.32 0.02 1 1290 119 119 THR HB H 3.69 0.02 1 1291 119 119 THR HG2 H 0.85 0.02 1 1292 119 119 THR C C 173.99 0.20 1 1293 119 119 THR CA C 60.67 0.20 1 1294 119 119 THR CB C 73.25 0.20 1 1295 119 119 THR CG2 C 23.61 0.20 1 1296 119 119 THR N N 111.53 0.20 1 1297 120 120 PHE H H 9.00 0.02 1 1298 120 120 PHE HA H 5.29 0.02 1 1299 120 120 PHE HB2 H 3.40 0.02 2 1300 120 120 PHE HB3 H 2.56 0.02 2 1301 120 120 PHE HD1 H 7.34 0.02 1 1302 120 120 PHE HD2 H 7.34 0.02 1 1303 120 120 PHE HE1 H 7.26 0.02 1 1304 120 120 PHE HE2 H 7.26 0.02 1 1305 120 120 PHE C C 174.56 0.20 1 1306 120 120 PHE CA C 58.39 0.20 1 1307 120 120 PHE CB C 46.72 0.20 1 1308 120 120 PHE CD1 C 130.30 0.20 1 1309 120 120 PHE CD2 C 130.30 0.20 1 1310 120 120 PHE CE1 C 129.90 0.20 1 1311 120 120 PHE CE2 C 129.90 0.20 1 1312 120 120 PHE N N 114.50 0.20 1 1313 121 121 GLY H H 9.50 0.02 1 1314 121 121 GLY HA2 H 4.86 0.02 2 1315 121 121 GLY HA3 H 4.28 0.02 2 1316 121 121 GLY C C 170.62 0.20 1 1317 121 121 GLY CA C 45.27 0.20 1 1318 121 121 GLY N N 107.62 0.20 1 1319 122 122 LEU H H 8.46 0.02 1 1320 122 122 LEU HA H 4.82 0.02 1 1321 122 122 LEU HB2 H 1.40 0.02 2 1322 122 122 LEU HB3 H 1.30 0.02 2 1323 122 122 LEU HD1 H 0.98 0.02 2 1324 122 122 LEU HD2 H 0.79 0.02 2 1325 122 122 LEU HG H 1.56 0.02 1 1326 122 122 LEU C C 175.51 0.20 1 1327 122 122 LEU CA C 52.97 0.20 1 1328 122 122 LEU CB C 46.51 0.20 1 1329 122 122 LEU CD1 C 24.47 0.20 2 1330 122 122 LEU CD2 C 22.72 0.20 2 1331 122 122 LEU CG C 26.93 0.20 1 1332 122 122 LEU N N 118.87 0.20 1 1333 123 123 GLU H H 7.13 0.02 1 1334 123 123 GLU HA H 4.49 0.02 1 1335 123 123 GLU HB2 H 1.58 0.02 1 1336 123 123 GLU HB3 H 1.58 0.02 1 1337 123 123 GLU HG2 H 2.16 0.02 2 1338 123 123 GLU HG3 H 1.80 0.02 2 1339 123 123 GLU C C 174.56 0.20 1 1340 123 123 GLU CA C 55.23 0.20 1 1341 123 123 GLU CB C 33.02 0.20 1 1342 123 123 GLU CG C 36.39 0.20 1 1343 123 123 GLU N N 118.62 0.20 1 1344 124 124 VAL H H 8.81 0.02 1 1345 124 124 VAL HA H 4.04 0.02 1 1346 124 124 VAL HB H 1.56 0.02 1 1347 124 124 VAL HG1 H 0.94 0.02 2 1348 124 124 VAL HG2 H 0.84 0.02 2 1349 124 124 VAL C C 175.25 0.20 1 1350 124 124 VAL CA C 61.59 0.20 1 1351 124 124 VAL CB C 34.04 0.20 1 1352 124 124 VAL CG1 C 20.51 0.20 2 1353 124 124 VAL CG2 C 21.99 0.20 2 1354 124 124 VAL N N 129.26 0.20 1 1355 125 125 GLU H H 8.08 0.02 1 1356 125 125 GLU HA H 3.68 0.02 1 1357 125 125 GLU HB2 H 1.96 0.02 2 1358 125 125 GLU HB3 H 1.86 0.02 2 1359 125 125 GLU HG2 H 2.15 0.02 1 1360 125 125 GLU HG3 H 2.15 0.02 1 1361 125 125 GLU C C 177.43 0.20 1 1362 125 125 GLU CA C 58.55 0.20 1 1363 125 125 GLU CB C 30.78 0.20 1 1364 125 125 GLU CG C 36.46 0.20 1 1365 125 125 GLU N N 128.57 0.20 1 1366 126 126 GLU H H 8.50 0.02 1 1367 126 126 GLU HA H 3.55 0.02 1 1368 126 126 GLU HB2 H 2.62 0.02 2 1369 126 126 GLU HB3 H 1.93 0.02 2 1370 126 126 GLU HG2 H 2.27 0.02 2 1371 126 126 GLU HG3 H 1.82 0.02 2 1372 126 126 GLU C C 177.40 0.20 1 1373 126 126 GLU CA C 61.93 0.20 1 1374 126 126 GLU CB C 30.68 0.20 1 1375 126 126 GLU CG C 35.42 0.20 1 1376 126 126 GLU N N 121.03 0.02 1 1377 127 127 LEU H H 9.45 0.02 1 1378 127 127 LEU HA H 4.23 0.02 1 1379 127 127 LEU HB2 H 1.51 0.02 2 1380 127 127 LEU HB3 H 1.26 0.02 2 1381 127 127 LEU HD1 H 0.77 0.02 2 1382 127 127 LEU HD2 H 0.59 0.02 2 1383 127 127 LEU HG H 1.53 0.02 1 1384 127 127 LEU CA C 55.56 0.20 1 1385 127 127 LEU CB C 42.62 0.20 1 1386 127 127 LEU CD1 C 22.12 0.20 2 1387 127 127 LEU CD2 C 24.36 0.20 2 1388 127 127 LEU CG C 27.74 0.20 1 1389 127 127 LEU N N 120.98 0.20 1 1390 128 128 HIS HA H 4.62 0.02 1 1391 128 128 HIS HB2 H 3.17 0.02 1 1392 128 128 HIS HB3 H 3.17 0.02 1 1393 128 128 HIS HD2 H 7.16 0.02 1 1394 128 128 HIS HE1 H 8.52 0.02 1 1395 128 128 HIS HE2 H 14.20 0.02 1 1396 128 128 HIS C C 172.21 0.20 1 1397 128 128 HIS CA C 55.06 0.20 1 1398 128 128 HIS CB C 26.48 0.20 1 1399 128 128 HIS CD2 C 120.3 0.20 1 1400 128 128 HIS CE1 C 136.2 0.20 1 1401 128 128 HIS ND1 N 179.2 0.20 1 1402 128 128 HIS NE2 N 177.5 0.20 1 1403 129 129 THR H H 6.95 0.02 1 1404 129 129 THR HA H 4.91 0.02 1 1405 129 129 THR HB H 4.47 0.02 1 1406 129 129 THR HG2 H 1.43 0.02 1 1407 129 129 THR C C 170.42 0.20 1 1408 129 129 THR CA C 58.75 0.20 1 1409 129 129 THR CB C 73.55 0.20 1 1410 129 129 THR CG2 C 23.54 0.20 1 1411 129 129 THR N N 105.75 0.20 1 1412 130 130 LEU H H 9.12 0.02 1 1413 130 130 LEU HA H 5.54 0.02 1 1414 130 130 LEU HB2 H 1.98 0.02 2 1415 130 130 LEU HB3 H 1.49 0.02 2 1416 130 130 LEU HD1 H 0.80 0.02 1 1417 130 130 LEU HD2 H 0.80 0.02 1 1418 130 130 LEU HG H 1.53 0.02 1 1419 130 130 LEU C C 174.73 0.20 1 1420 130 130 LEU CA C 55.30 0.20 1 1421 130 130 LEU CB C 44.74 0.20 1 1422 130 130 LEU CD1 C 27.91 0.20 1 1423 130 130 LEU CD2 C 28.24 0.20 1 1424 130 130 LEU CG C 26.39 0.20 1 1425 130 130 LEU N N 111.71 0.20 1 1426 131 131 VAL H H 7.51 0.02 1 1427 131 131 VAL HA H 4.81 0.02 1 1428 131 131 VAL HB H 2.26 0.02 1 1429 131 131 VAL HG1 H 0.77 0.02 1 1430 131 131 VAL HG2 H 0.77 0.02 1 1431 131 131 VAL C C 176.03 0.20 1 1432 131 131 VAL CA C 61.70 0.20 1 1433 131 131 VAL CB C 31.37 0.20 1 1434 131 131 VAL CG1 C 22.84 0.20 2 1435 131 131 VAL CG2 C 21.97 0.20 2 1436 131 131 VAL N N 119.67 0.20 1 1437 132 132 ALA H H 9.73 0.02 1 1438 132 132 ALA HA H 4.94 0.02 1 1439 132 132 ALA HB H 1.17 0.02 1 1440 132 132 ALA C C 175.46 0.20 1 1441 132 132 ALA CA C 50.48 0.20 1 1442 132 132 ALA CB C 21.92 0.20 1 1443 132 132 ALA N N 134.74 0.20 1 1444 133 133 GLU H H 9.12 0.02 1 1445 133 133 GLU HA H 3.83 0.02 1 1446 133 133 GLU HB2 H 2.55 0.02 2 1447 133 133 GLU HB3 H 2.14 0.02 2 1448 133 133 GLU HG2 H 2.95 0.02 2 1449 133 133 GLU HG3 H 2.52 0.02 2 1450 133 133 GLU C C 175.39 0.20 1 1451 133 133 GLU CA C 57.58 0.20 1 1452 133 133 GLU CB C 26.95 0.20 1 1453 133 133 GLU CG C 36.40 0.20 1 1454 133 133 GLU N N 118.80 0.20 1 1455 134 134 GLY H H 7.29 0.02 1 1456 134 134 GLY HA2 H 4.21 0.02 2 1457 134 134 GLY HA3 H 3.34 0.02 2 1458 134 134 GLY C C 172.10 0.20 1 1459 134 134 GLY CA C 45.88 0.20 1 1460 134 134 GLY N N 100.09 0.20 1 1461 135 135 VAL H H 8.11 0.02 1 1462 135 135 VAL HA H 4.55 0.02 1 1463 135 135 VAL HB H 2.25 0.02 1 1464 135 135 VAL HG1 H 0.95 0.02 2 1465 135 135 VAL HG2 H 0.86 0.02 2 1466 135 135 VAL C C 175.45 0.20 1 1467 135 135 VAL CA C 61.00 0.20 1 1468 135 135 VAL CB C 33.57 0.20 1 1469 135 135 VAL CG1 C 22.20 0.20 2 1470 135 135 VAL CG2 C 22.41 0.20 2 1471 135 135 VAL N N 122.46 0.20 1 1472 136 136 VAL H H 8.32 0.02 1 1473 136 136 VAL HA H 4.25 0.02 1 1474 136 136 VAL HB H 1.98 0.02 1 1475 136 136 VAL HG1 H 0.83 0.02 2 1476 136 136 VAL HG2 H 0.60 0.02 2 1477 136 136 VAL C C 174.27 0.20 1 1478 136 136 VAL CA C 64.09 0.20 1 1479 136 136 VAL CB C 30.52 0.20 1 1480 136 136 VAL CG1 C 23.13 0.20 2 1481 136 136 VAL CG2 C 21.41 0.20 2 1482 136 136 VAL N N 126.48 0.20 1 1483 137 137 VAL H H 9.40 0.02 1 1484 137 137 VAL HA H 5.75 0.02 1 1485 137 137 VAL HB H 2.79 0.02 1 1486 137 137 VAL HG1 H 1.17 0.02 2 1487 137 137 VAL HG2 H 1.13 0.02 2 1488 137 137 VAL C C 175.27 0.20 1 1489 137 137 VAL CA C 58.57 0.20 1 1490 137 137 VAL CB C 37.13 0.20 1 1491 137 137 VAL CG1 C 23.16 0.20 2 1492 137 137 VAL CG2 C 23.29 0.20 2 1493 137 137 VAL N N 118.74 0.20 1 1494 138 138 HIS H H 8.57 0.02 1 1495 138 138 HIS HA H 4.44 0.02 1 1496 138 138 HIS HB2 H 2.92 0.02 2 1497 138 138 HIS HB3 H 2.48 0.02 2 1498 138 138 HIS HD2 H 6.33 0.02 1 1499 138 138 HIS HE1 H 7.65 0.02 1 1500 138 138 HIS C C 175.27 0.20 1 1501 138 138 HIS CA C 56.91 0.20 1 1502 138 138 HIS CB C 31.04 0.20 1 1503 138 138 HIS CD2 C 121.30 0.20 1 1504 138 138 HIS N N 120.80 0.20 1 1505 138 138 HIS ND1 N 205.80 0.20 1 1506 138 138 HIS NE2 N 191.70 0.20 1 1507 139 139 ASN H H 7.93 0.02 1 1508 139 139 ASN HA H 4.18 0.02 1 1509 139 139 ASN HB2 H 3.30 0.02 2 1510 139 139 ASN HB3 H 1.91 0.02 2 1511 139 139 ASN HD21 H 7.36 0.02 2 1512 139 139 ASN HD22 H 8.14 0.02 2 1513 139 139 ASN CA C 56.52 0.20 1 1514 139 139 ASN CB C 39.41 0.20 1 1515 139 139 ASN N N 126.83 0.20 1 1516 139 139 ASN ND2 N 114.17 0.20 1 stop_ save_