data_17014 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H,13C and 15N assignments of ChxR ; _BMRB_accession_number 17014 _BMRB_flat_file_name bmr17014.str _Entry_type original _Submission_date 2010-06-22 _Accession_date 2010-06-22 _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 Hickey John . . 2 Hefty Scott . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 588 "13C chemical shifts" 452 "15N chemical shifts" 111 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-07-15 update BMRB 'update entry citation' 2014-03-24 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Atypical response regulator ChxR from Chlamydia trachomatis is structurally poised for DNA binding.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24646934 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Barta Michael L. . 2 Hickey John M. . 3 Anbanandam Asokan . . 4 Dyer Kevin . . 5 Hammel Michal . . 6 Hefty 'P Scott' S. . stop_ _Journal_abbreviation 'PLoS ONE' _Journal_name_full 'PloS one' _Journal_volume 9 _Journal_issue 3 _Journal_ISSN 1932-6203 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first e91760 _Page_last e91760 _Year 2014 _Details . loop_ _Keyword NMR stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'ChxR monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ChxR monomer' $ChxR_effector_domain stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ChxR_effector_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ChxR_effector_domain _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 116 _Mol_residue_sequence ; HSVPESIRFGPNVFYVLKLT VETPEGSVHLTPSESGILKR LLINKGQLCLRKHLLEEIKN HAKAIVARNVDVHIASLRKK LGAYGSRIVTLRGVGYLFSD DGDKKFSQQDTKLSLE ; loop_ _Residue_seq_code _Residue_label 1 HIS 2 SER 3 VAL 4 PRO 5 GLU 6 SER 7 ILE 8 ARG 9 PHE 10 GLY 11 PRO 12 ASN 13 VAL 14 PHE 15 TYR 16 VAL 17 LEU 18 LYS 19 LEU 20 THR 21 VAL 22 GLU 23 THR 24 PRO 25 GLU 26 GLY 27 SER 28 VAL 29 HIS 30 LEU 31 THR 32 PRO 33 SER 34 GLU 35 SER 36 GLY 37 ILE 38 LEU 39 LYS 40 ARG 41 LEU 42 LEU 43 ILE 44 ASN 45 LYS 46 GLY 47 GLN 48 LEU 49 CYS 50 LEU 51 ARG 52 LYS 53 HIS 54 LEU 55 LEU 56 GLU 57 GLU 58 ILE 59 LYS 60 ASN 61 HIS 62 ALA 63 LYS 64 ALA 65 ILE 66 VAL 67 ALA 68 ARG 69 ASN 70 VAL 71 ASP 72 VAL 73 HIS 74 ILE 75 ALA 76 SER 77 LEU 78 ARG 79 LYS 80 LYS 81 LEU 82 GLY 83 ALA 84 TYR 85 GLY 86 SER 87 ARG 88 ILE 89 VAL 90 THR 91 LEU 92 ARG 93 GLY 94 VAL 95 GLY 96 TYR 97 LEU 98 PHE 99 SER 100 ASP 101 ASP 102 GLY 103 ASP 104 LYS 105 LYS 106 PHE 107 SER 108 GLN 109 GLN 110 ASP 111 THR 112 LYS 113 LEU 114 SER 115 LEU 116 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2M1B "Solution Structure Of The Chxr Dna-binding Domain" 100.00 122 100.00 100.00 1.57e-76 EMBL CAP04331 "transcriptional regulatory protein [Chlamydia trachomatis 434/Bu]" 98.28 227 100.00 100.00 4.80e-74 EMBL CAP07285 "transcriptional regulatory protein [Chlamydia trachomatis L2b/UCH-1/proctitis]" 98.28 227 100.00 100.00 4.80e-74 EMBL CAX09301 "transcriptional regulatory protein [Chlamydia trachomatis A2497]" 98.28 227 99.12 100.00 4.23e-73 EMBL CAX10195 "transcriptional regulatory protein [Chlamydia trachomatis B/TZ1A828/OT]" 98.28 227 99.12 100.00 4.23e-73 EMBL CAX11088 "transcriptional regulatory protein [Chlamydia trachomatis B/Jali20/OT]" 98.28 227 99.12 100.00 3.12e-73 GB AAC68234 "HTH Transcriptional Regulatory Protein and Receiver Domain [Chlamydia trachomatis D/UW-3/CX]" 98.28 227 99.12 100.00 3.15e-73 GB AAX50907 "CpxR [Chlamydia trachomatis A/HAR-13]" 98.28 227 99.12 100.00 3.75e-73 GB ADH17418 "CpxR [Chlamydia trachomatis E/150]" 98.28 227 99.12 100.00 3.63e-73 GB ADH18341 "CpxR [Chlamydia trachomatis G/9768]" 98.28 227 99.12 100.00 3.75e-73 GB ADH19265 "CpxR [Chlamydia trachomatis G/11222]" 98.28 227 99.12 100.00 3.75e-73 REF NP_220147 "transcriptional regulator [Chlamydia trachomatis D/UW-3/CX]" 98.28 227 99.12 100.00 3.15e-73 REF WP_009871999 "transcriptional regulator [Chlamydia trachomatis]" 98.28 227 99.12 100.00 3.75e-73 REF WP_009872804 "transcriptional regulator [Chlamydia trachomatis]" 98.28 227 99.12 100.00 3.63e-73 REF WP_009873961 "transcriptional regulator [Chlamydia trachomatis]" 98.28 227 100.00 100.00 4.80e-74 REF WP_010725282 "transcriptional regulator [Chlamydia trachomatis]" 98.28 227 99.12 100.00 3.15e-73 SP A0A0H3MDW1 "RecName: Full=Atypical response regulator protein ChxR; AltName: Full=Transcriptional regulatory protein" 98.28 227 100.00 100.00 4.80e-74 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $ChxR_effector_domain 'E. coli' 562 Bacteria . Escherichia coli stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $ChxR_effector_domain 'recombinant technology' . Escherichia coli BL21 DE3 pET29b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ChxR_effector_domain 1.0 mM '[U-100% 13C; U-100% 15N]' NaCl 400 mM 'natural abundance' Na2HPO4 20 mM 'natural abundance' KH2PO4 20 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ 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 Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 6.8 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HN(CO)CA' '3D HNCO' '3D HNCACB' '3D CBCA(CO)NH' '2D 1H-13C HSQC' '3D 1H-13C NOESY' '3D 1H-15N NOESY' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'ChxR 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 2 2 SER HA H 4.41 0.02 . 2 2 2 SER HB2 H 3.79 0.02 . 3 2 2 SER HB3 H 3.79 0.02 . 4 2 2 SER C C 173.78 0.30 . 5 2 2 SER CA C 58.23 0.30 . 6 2 2 SER CB C 63.80 0.30 . 7 3 3 VAL H H 8.26 0.02 . 8 3 3 VAL HA H 4.38 0.02 . 9 3 3 VAL HB H 1.98 0.02 . 10 3 3 VAL C C 173.99 0.30 . 11 3 3 VAL CA C 59.70 0.30 . 12 3 3 VAL CB C 32.84 0.30 . 13 3 3 VAL N N 123.92 0.30 . 14 4 4 PRO HA H 4.40 0.02 . 15 4 4 PRO HB2 H 2.29 0.02 . 16 4 4 PRO HB3 H 1.82 0.02 . 17 4 4 PRO HG2 H 1.99 0.02 . 18 4 4 PRO HG3 H 1.93 0.02 . 19 4 4 PRO HD2 H 3.86 0.02 . 20 4 4 PRO HD3 H 3.51 0.02 . 21 4 4 PRO C C 175.71 0.30 . 22 4 4 PRO CA C 62.71 0.30 . 23 4 4 PRO CB C 32.35 0.30 . 24 4 4 PRO CG C 27.43 0.30 . 25 4 4 PRO CD C 51.03 0.30 . 26 5 5 GLU H H 8.43 0.02 . 27 5 5 GLU HA H 4.06 0.02 . 28 5 5 GLU HB2 H 2.04 0.02 . 29 5 5 GLU HB3 H 1.99 0.02 . 30 5 5 GLU HG2 H 2.32 0.02 . 31 5 5 GLU HG3 H 2.18 0.02 . 32 5 5 GLU C C 176.79 0.30 . 33 5 5 GLU CA C 57.92 0.30 . 34 5 5 GLU CB C 30.13 0.30 . 35 5 5 GLU CG C 37.00 0.30 . 36 5 5 GLU N N 118.43 0.30 . 37 6 6 SER H H 7.71 0.02 . 38 6 6 SER HA H 5.26 0.02 . 39 6 6 SER HB2 H 3.44 0.02 . 40 6 6 SER HB3 H 3.07 0.02 . 41 6 6 SER C C 172.87 0.30 . 42 6 6 SER CA C 56.01 0.30 . 43 6 6 SER CB C 65.82 0.30 . 44 6 6 SER N N 112.30 0.30 . 45 7 7 ILE H H 8.64 0.02 . 46 7 7 ILE HA H 4.21 0.02 . 47 7 7 ILE HB H 1.61 0.02 . 48 7 7 ILE HG12 H 1.28 0.30 . 49 7 7 ILE HG13 H 1.28 0.30 . 50 7 7 ILE HG2 H 0.89 0.30 . 51 7 7 ILE HD1 H 0.73 0.02 . 52 7 7 ILE C C 174.89 0.30 . 53 7 7 ILE CA C 61.09 0.30 . 54 7 7 ILE CB C 42.38 0.30 . 55 7 7 ILE CG1 C 27.07 0.30 . 56 7 7 ILE CG2 C 18.36 0.30 . 57 7 7 ILE CD1 C 14.46 0.30 . 58 7 7 ILE N N 120.48 0.30 . 59 8 8 ARG H H 8.98 0.02 . 60 8 8 ARG HA H 4.96 0.02 . 61 8 8 ARG HB2 H 1.82 0.02 . 62 8 8 ARG HB3 H 1.68 0.02 . 63 8 8 ARG HG2 H 1.64 0.02 . 64 8 8 ARG HG3 H 1.43 0.02 . 65 8 8 ARG HD2 H 3.16 0.02 . 66 8 8 ARG HD3 H 3.08 0.02 . 67 8 8 ARG C C 176.46 0.30 . 68 8 8 ARG CA C 55.58 0.30 . 69 8 8 ARG CB C 31.30 0.30 . 70 8 8 ARG CG C 28.16 0.30 . 71 8 8 ARG CD C 42.99 0.30 . 72 8 8 ARG N N 129.19 0.30 . 73 9 9 PHE H H 8.22 0.02 . 74 9 9 PHE HA H 4.84 0.02 . 75 9 9 PHE HB2 H 2.94 0.02 . 76 9 9 PHE HB3 H 2.88 0.02 . 77 9 9 PHE C C 174.11 0.30 . 78 9 9 PHE CA C 55.47 0.30 . 79 9 9 PHE CB C 39.14 0.30 . 80 9 9 PHE N N 120.90 0.30 . 81 10 10 GLY H H 9.35 0.02 . 82 10 10 GLY HA2 H 4.06 0.02 . 83 10 10 GLY HA3 H 3.65 0.02 . 84 10 10 GLY CA C 44.99 0.30 . 85 10 10 GLY N N 118.19 0.30 . 86 11 11 PRO HA H 4.52 0.02 . 87 11 11 PRO HB2 H 2.00 0.02 . 88 11 11 PRO HB3 H 2.00 0.02 . 89 11 11 PRO HG2 H 2.06 0.02 . 90 11 11 PRO HG3 H 1.48 0.02 . 91 11 11 PRO HD2 H 3.62 0.02 . 92 11 11 PRO HD3 H 3.41 0.02 . 93 11 11 PRO C C 174.59 0.30 . 94 11 11 PRO CA C 63.07 0.30 . 95 11 11 PRO CB C 31.83 0.30 . 96 11 11 PRO CG C 25.26 0.30 . 97 11 11 PRO CD C 50.09 0.30 . 98 12 12 ASN H H 7.53 0.02 . 99 12 12 ASN HA H 4.89 0.02 . 100 12 12 ASN HB2 H 1.37 0.02 . 101 12 12 ASN HB3 H 0.87 0.02 . 102 12 12 ASN HD21 H 7.46 0.02 . 103 12 12 ASN HD22 H 7.07 0.02 . 104 12 12 ASN C C 174.61 0.30 . 105 12 12 ASN CA C 52.02 0.30 . 106 12 12 ASN CB C 40.46 0.30 . 107 12 12 ASN N N 118.63 0.30 . 108 12 12 ASN ND2 N 113.81 0.30 . 109 13 13 VAL H H 8.40 0.02 . 110 13 13 VAL HA H 4.24 0.02 . 111 13 13 VAL HB H 1.74 0.02 . 112 13 13 VAL HG1 H 0.65 0.02 . 113 13 13 VAL HG2 H 0.20 0.02 . 114 13 13 VAL C C 173.47 0.30 . 115 13 13 VAL CA C 61.95 0.30 . 116 13 13 VAL CB C 34.88 0.30 . 117 13 13 VAL CG1 C 20.31 0.30 . 118 13 13 VAL CG2 C 21.14 0.30 . 119 13 13 VAL N N 119.11 0.30 . 120 14 14 PHE H H 9.21 0.02 . 121 14 14 PHE HA H 5.39 0.02 . 122 14 14 PHE HB2 H 3.32 0.02 . 123 14 14 PHE HB3 H 3.08 0.02 . 124 14 14 PHE C C 173.65 0.30 . 125 14 14 PHE CA C 52.90 0.30 . 126 14 14 PHE CB C 39.65 0.30 . 127 14 14 PHE N N 127.52 0.30 . 128 15 15 TYR H H 9.20 0.02 . 129 15 15 TYR HA H 4.52 0.02 . 130 15 15 TYR HB2 H 3.04 0.02 . 131 15 15 TYR HB3 H 2.90 0.02 . 132 15 15 TYR C C 175.60 0.30 . 133 15 15 TYR CA C 58.30 0.30 . 134 15 15 TYR CB C 37.30 0.30 . 135 15 15 TYR N N 129.88 0.30 . 136 16 16 VAL H H 6.86 0.02 . 137 16 16 VAL HA H 2.55 0.02 . 138 16 16 VAL HB H 1.61 0.02 . 139 16 16 VAL HG1 H 0.57 0.02 . 140 16 16 VAL HG2 H 0.20 0.02 . 141 16 16 VAL C C 178.45 0.30 . 142 16 16 VAL CA C 65.20 0.30 . 143 16 16 VAL CB C 32.12 0.30 . 144 16 16 VAL CG1 C 21.09 0.30 . 145 16 16 VAL CG2 C 21.14 0.30 . 146 16 16 VAL N N 124.15 0.30 . 147 17 17 LEU H H 8.85 0.02 . 148 17 17 LEU HA H 4.19 0.02 . 149 17 17 LEU HB2 H 1.77 0.02 . 150 17 17 LEU HB3 H 1.57 0.02 . 151 17 17 LEU HG H 1.66 0.02 . 152 17 17 LEU HD1 H 0.88 0.02 . 153 17 17 LEU HD2 H 0.80 0.02 . 154 17 17 LEU C C 178.51 0.30 . 155 17 17 LEU CA C 56.08 0.30 . 156 17 17 LEU CB C 40.91 0.30 . 157 17 17 LEU CG C 27.45 0.30 . 158 17 17 LEU CD1 C 24.99 0.30 . 159 17 17 LEU CD2 C 22.36 0.30 . 160 17 17 LEU N N 116.58 0.30 . 161 18 18 LYS H H 7.06 0.02 . 162 18 18 LYS HA H 4.41 0.02 . 163 18 18 LYS HB2 H 2.08 0.02 . 164 18 18 LYS HB3 H 1.70 0.02 . 165 18 18 LYS HG2 H 1.39 0.02 . 166 18 18 LYS HG3 H 1.35 0.02 . 167 18 18 LYS HD2 H 1.50 0.02 . 168 18 18 LYS HD3 H 1.41 0.02 . 169 18 18 LYS HE2 H 2.80 0.02 . 170 18 18 LYS HE3 H 2.80 0.02 . 171 18 18 LYS C C 176.60 0.30 . 172 18 18 LYS CA C 55.25 0.30 . 173 18 18 LYS CB C 32.92 0.30 . 174 18 18 LYS CG C 24.48 0.30 . 175 18 18 LYS CD C 28.80 0.30 . 176 18 18 LYS CE C 41.95 0.30 . 177 18 18 LYS N N 114.62 0.30 . 178 19 19 LEU H H 7.95 0.02 . 179 19 19 LEU HA H 4.07 0.02 . 180 19 19 LEU HB2 H 2.11 0.02 . 181 19 19 LEU HB3 H 2.07 0.02 . 182 19 19 LEU HG H 1.64 0.02 . 183 19 19 LEU HD1 H 0.89 0.02 . 184 19 19 LEU HD2 H 0.89 0.02 . 185 19 19 LEU C C 175.01 0.30 . 186 19 19 LEU CA C 57.51 0.30 . 187 19 19 LEU CB C 38.28 0.30 . 188 19 19 LEU CG C 28.10 0.30 . 189 19 19 LEU CD1 C 25.51 0.30 . 190 19 19 LEU CD2 C 25.25 0.30 . 191 19 19 LEU N N 119.01 0.30 . 192 20 20 THR H H 7.47 0.02 . 193 20 20 THR HA H 5.42 0.02 . 194 20 20 THR HB H 3.82 0.02 . 195 20 20 THR HG2 H 0.99 0.02 . 196 20 20 THR C C 173.07 0.30 . 197 20 20 THR CA C 61.32 0.30 . 198 20 20 THR CB C 73.81 0.30 . 199 20 20 THR CG2 C 21.01 0.30 . 200 20 20 THR N N 109.12 0.30 . 201 21 21 VAL H H 9.30 0.02 . 202 21 21 VAL HA H 4.99 0.02 . 203 21 21 VAL HB H 1.88 0.02 . 204 21 21 VAL HG1 H 0.69 0.02 . 205 21 21 VAL HG2 H 0.69 0.02 . 206 21 21 VAL C C 174.72 0.30 . 207 21 21 VAL CA C 60.51 0.30 . 208 21 21 VAL CB C 33.81 0.30 . 209 21 21 VAL CG1 C 22.07 0.30 . 210 21 21 VAL CG2 C 22.23 0.30 . 211 21 21 VAL N N 124.95 0.30 . 212 22 22 GLU H H 9.59 0.02 . 213 22 22 GLU HA H 4.80 0.02 . 214 22 22 GLU HB2 H 2.13 0.02 . 215 22 22 GLU HB3 H 2.05 0.02 . 216 22 22 GLU HG2 H 2.39 0.02 . 217 22 22 GLU HG3 H 2.28 0.02 . 218 22 22 GLU C C 175.81 0.30 . 219 22 22 GLU CA C 55.83 0.30 . 220 22 22 GLU CB C 30.32 0.30 . 221 22 22 GLU CG C 35.43 0.30 . 222 22 22 GLU N N 128.32 0.30 . 223 23 23 THR H H 8.05 0.02 . 224 23 23 THR HA H 5.40 0.02 . 225 23 23 THR HB H 4.54 0.02 . 226 23 23 THR HG2 H 1.04 0.02 . 227 23 23 THR C C 174.93 0.30 . 228 23 23 THR CA C 59.24 0.30 . 229 23 23 THR CB C 70.12 0.30 . 230 23 23 THR CG2 C 20.86 0.30 . 231 23 23 THR N N 118.41 0.30 . 232 24 24 PRO HA H 4.38 0.02 . 233 24 24 PRO HB2 H 2.44 0.02 . 234 24 24 PRO HB3 H 2.44 0.02 . 235 24 24 PRO HG2 H 2.12 0.02 . 236 24 24 PRO HG3 H 1.93 0.02 . 237 24 24 PRO HD2 H 3.79 0.02 . 238 24 24 PRO HD3 H 3.74 0.02 . 239 24 24 PRO C C 177.12 0.30 . 240 24 24 PRO CA C 65.00 0.30 . 241 24 24 PRO CB C 31.78 0.30 . 242 24 24 PRO CG C 28.33 0.30 . 243 24 24 PRO CD C 50.62 0.30 . 244 25 25 GLU H H 7.71 0.02 . 245 25 25 GLU HA H 4.39 0.02 . 246 25 25 GLU HB2 H 2.20 0.02 . 247 25 25 GLU HB3 H 1.86 0.02 . 248 25 25 GLU HG2 H 2.32 0.02 . 249 25 25 GLU HG3 H 2.18 0.02 . 250 25 25 GLU C C 175.81 0.30 . 251 25 25 GLU CA C 56.44 0.30 . 252 25 25 GLU CB C 29.92 0.30 . 253 25 25 GLU CG C 37.00 0.30 . 254 25 25 GLU N N 113.42 0.30 . 255 26 26 GLY H H 7.67 0.02 . 256 26 26 GLY HA2 H 4.60 0.02 . 257 26 26 GLY HA3 H 3.89 0.02 . 258 26 26 GLY C C 174.00 0.30 . 259 26 26 GLY CA C 44.41 0.30 . 260 26 26 GLY N N 108.33 0.30 . 261 27 27 SER H H 8.69 0.02 . 262 27 27 SER HA H 4.96 0.02 . 263 27 27 SER HB2 H 3.64 0.02 . 264 27 27 SER HB3 H 3.52 0.02 . 265 27 27 SER C C 174.03 0.30 . 266 27 27 SER CA C 58.84 0.30 . 267 27 27 SER CB C 64.04 0.30 . 268 27 27 SER N N 117.66 0.30 . 269 28 28 VAL H H 9.28 0.02 . 270 28 28 VAL HA H 4.21 0.02 . 271 28 28 VAL HB H 2.04 0.02 . 272 28 28 VAL HG1 H 0.99 0.02 . 273 28 28 VAL HG2 H 0.93 0.02 . 274 28 28 VAL C C 174.46 0.30 . 275 28 28 VAL CA C 61.57 0.30 . 276 28 28 VAL CB C 34.07 0.30 . 277 28 28 VAL CG1 C 21.01 0.30 . 278 28 28 VAL CG2 C 20.98 0.30 . 279 28 28 VAL N N 125.89 0.30 . 280 29 29 HIS H H 8.79 0.02 . 281 29 29 HIS HA H 4.96 0.02 . 282 29 29 HIS HB2 H 3.28 0.02 . 283 29 29 HIS HB3 H 3.11 0.02 . 284 29 29 HIS C C 174.61 0.30 . 285 29 29 HIS CA C 56.34 0.30 . 286 29 29 HIS CB C 30.29 0.30 . 287 29 29 HIS N N 126.81 0.30 . 288 30 30 LEU H H 8.71 0.02 . 289 30 30 LEU HA H 4.68 0.02 . 290 30 30 LEU HB2 H 1.58 0.02 . 291 30 30 LEU HB3 H 1.58 0.02 . 292 30 30 LEU HG H 1.51 0.02 . 293 30 30 LEU HD1 H 0.55 0.02 . 294 30 30 LEU HD2 H 0.45 0.02 . 295 30 30 LEU C C 176.58 0.30 . 296 30 30 LEU CA C 53.12 0.30 . 297 30 30 LEU CB C 44.18 0.30 . 298 30 30 LEU CG C 27.09 0.30 . 299 30 30 LEU CD1 C 23.04 0.30 . 300 30 30 LEU CD2 C 27.05 0.30 . 301 30 30 LEU N N 124.06 0.30 . 302 31 31 THR H H 8.81 0.02 . 303 31 31 THR HA H 4.68 0.02 . 304 31 31 THR HB H 3.93 0.02 . 305 31 31 THR HG2 H 1.32 0.02 . 306 31 31 THR C C 174.45 0.30 . 307 31 31 THR CA C 60.30 0.30 . 308 31 31 THR CB C 67.96 0.30 . 309 31 31 THR CG2 C 21.99 0.30 . 310 31 31 THR N N 111.54 0.30 . 311 32 32 PRO HA H 4.17 0.02 . 312 32 32 PRO HB2 H 2.24 0.02 . 313 32 32 PRO HB3 H 1.63 0.02 . 314 32 32 PRO HG2 H 2.21 0.02 . 315 32 32 PRO HG3 H 1.98 0.02 . 316 32 32 PRO HD2 H 3.92 0.02 . 317 32 32 PRO HD3 H 3.89 0.02 . 318 32 32 PRO C C 179.76 0.30 . 319 32 32 PRO CA C 66.57 0.30 . 320 32 32 PRO CB C 31.61 0.30 . 321 32 32 PRO CG C 28.33 0.30 . 322 32 32 PRO CD C 50.15 0.30 . 323 33 33 SER H H 8.17 0.02 . 324 33 33 SER HA H 4.15 0.02 . 325 33 33 SER HB2 H 3.33 0.02 . 326 33 33 SER HB3 H 2.91 0.02 . 327 33 33 SER C C 175.29 0.30 . 328 33 33 SER CA C 62.86 0.30 . 329 33 33 SER CB C 62.86 0.30 . 330 33 33 SER N N 113.76 0.30 . 331 34 34 GLU H H 7.46 0.02 . 332 34 34 GLU HA H 3.51 0.02 . 333 34 34 GLU HB2 H 2.43 0.02 . 334 34 34 GLU HB3 H 1.73 0.02 . 335 34 34 GLU HG2 H 2.45 0.02 . 336 34 34 GLU HG3 H 2.34 0.02 . 337 34 34 GLU C C 177.91 0.30 . 338 34 34 GLU CA C 59.55 0.30 . 339 34 34 GLU CB C 31.03 0.30 . 340 34 34 GLU CG C 36.43 0.30 . 341 34 34 GLU N N 120.41 0.30 . 342 35 35 SER H H 8.67 0.02 . 343 35 35 SER HA H 3.95 0.02 . 344 35 35 SER HB2 H 3.99 0.02 . 345 35 35 SER HB3 H 3.79 0.02 . 346 35 35 SER C C 176.81 0.30 . 347 35 35 SER CA C 61.58 0.30 . 348 35 35 SER CB C 64.00 0.30 . 349 35 35 SER N N 111.90 0.30 . 350 36 36 GLY H H 8.14 0.02 . 351 36 36 GLY HA2 H 3.87 0.02 . 352 36 36 GLY HA3 H 3.74 0.02 . 353 36 36 GLY C C 176.07 0.30 . 354 36 36 GLY CA C 47.52 0.30 . 355 36 36 GLY N N 106.53 0.30 . 356 37 37 ILE H H 7.60 0.02 . 357 37 37 ILE HA H 3.46 0.02 . 358 37 37 ILE HB H 1.69 0.02 . 359 37 37 ILE HG12 H 1.79 0.02 . 360 37 37 ILE HG13 H 0.83 0.02 . 361 37 37 ILE HG2 H 0.60 0.02 . 362 37 37 ILE HD1 H 0.63 0.02 . 363 37 37 ILE C C 176.53 0.30 . 364 37 37 ILE CA C 65.96 0.30 . 365 37 37 ILE CB C 37.70 0.30 . 366 37 37 ILE CG1 C 29.98 0.30 . 367 37 37 ILE CG2 C 17.45 0.30 . 368 37 37 ILE CD1 C 14.50 0.30 . 369 37 37 ILE N N 120.29 0.30 . 370 38 38 LEU H H 8.39 0.02 . 371 38 38 LEU HA H 3.68 0.02 . 372 38 38 LEU HB2 H 1.45 0.02 . 373 38 38 LEU HB3 H 1.13 0.02 . 374 38 38 LEU HG H 0.88 0.02 . 375 38 38 LEU HD1 H 0.40 0.02 . 376 38 38 LEU HD2 H -0.33 0.02 . 377 38 38 LEU C C 177.53 0.30 . 378 38 38 LEU CA C 57.97 0.30 . 379 38 38 LEU CB C 39.62 0.30 . 380 38 38 LEU CG C 26.45 0.30 . 381 38 38 LEU CD1 C 22.04 0.30 . 382 38 38 LEU CD2 C 25.11 0.30 . 383 38 38 LEU N N 120.25 0.30 . 384 39 39 LYS H H 8.61 0.02 . 385 39 39 LYS HA H 3.69 0.02 . 386 39 39 LYS HB2 H 2.13 0.02 . 387 39 39 LYS HB3 H 2.00 0.02 . 388 39 39 LYS HG2 H 1.18 0.02 . 389 39 39 LYS HG3 H 1.18 0.02 . 390 39 39 LYS HD2 H 1.86 0.02 . 391 39 39 LYS HD3 H 1.69 0.02 . 392 39 39 LYS HE2 H 3.01 0.02 . 393 39 39 LYS HE3 H 3.01 0.02 . 394 39 39 LYS C C 176.89 0.30 . 395 39 39 LYS CA C 60.67 0.30 . 396 39 39 LYS CB C 31.39 0.30 . 397 39 39 LYS CG C 24.37 0.30 . 398 39 39 LYS CD C 29.06 0.30 . 399 39 39 LYS CE C 41.25 0.30 . 400 39 39 LYS N N 117.05 0.30 . 401 40 40 ARG H H 7.58 0.02 . 402 40 40 ARG HA H 3.83 0.02 . 403 40 40 ARG HB2 H 1.94 0.02 . 404 40 40 ARG HB3 H 1.85 0.02 . 405 40 40 ARG HG2 H 1.65 0.02 . 406 40 40 ARG HG3 H 1.58 0.02 . 407 40 40 ARG HD2 H 3.19 0.02 . 408 40 40 ARG HD3 H 3.07 0.02 . 409 40 40 ARG C C 178.54 0.30 . 410 40 40 ARG CA C 58.49 0.30 . 411 40 40 ARG CB C 29.43 0.30 . 412 40 40 ARG CG C 27.34 0.30 . 413 40 40 ARG CD C 42.19 0.30 . 414 40 40 ARG N N 117.29 0.30 . 415 41 41 LEU H H 8.27 0.02 . 416 41 41 LEU HA H 3.97 0.02 . 417 41 41 LEU HB2 H 1.91 0.02 . 418 41 41 LEU HB3 H 1.38 0.02 . 419 41 41 LEU HG H 1.89 0.02 . 420 41 41 LEU HD1 H 0.89 0.02 . 421 41 41 LEU HD2 H 0.62 0.02 . 422 41 41 LEU C C 180.71 0.30 . 423 41 41 LEU CA C 57.78 0.30 . 424 41 41 LEU CB C 42.68 0.30 . 425 41 41 LEU CG C 26.74 0.30 . 426 41 41 LEU CD1 C 23.27 0.30 . 427 41 41 LEU CD2 C 27.13 0.30 . 428 41 41 LEU N N 117.30 0.30 . 429 42 42 LEU H H 8.14 0.02 . 430 42 42 LEU HA H 3.71 0.02 . 431 42 42 LEU HB2 H 1.69 0.02 . 432 42 42 LEU HB3 H 1.09 0.02 . 433 42 42 LEU HG H 0.91 0.02 . 434 42 42 LEU HD1 H 0.10 0.02 . 435 42 42 LEU HD2 H -0.60 0.02 . 436 42 42 LEU C C 181.23 0.30 . 437 42 42 LEU CA C 56.93 0.30 . 438 42 42 LEU CB C 42.53 0.30 . 439 42 42 LEU CG C 26.51 0.30 . 440 42 42 LEU CD1 C 26.32 0.30 . 441 42 42 LEU CD2 C 20.48 0.30 . 442 42 42 LEU N N 115.68 0.30 . 443 43 43 ILE H H 8.71 0.02 . 444 43 43 ILE HA H 3.92 0.02 . 445 43 43 ILE HB H 1.91 0.02 . 446 43 43 ILE HG12 H 1.58 0.02 . 447 43 43 ILE HG13 H 1.38 0.02 . 448 43 43 ILE HG2 H 0.94 0.02 . 449 43 43 ILE HD1 H 0.78 0.02 . 450 43 43 ILE C C 176.76 0.30 . 451 43 43 ILE CA C 64.47 0.30 . 452 43 43 ILE CB C 37.20 0.30 . 453 43 43 ILE CG1 C 27.48 0.30 . 454 43 43 ILE CG2 C 16.88 0.30 . 455 43 43 ILE CD1 C 13.59 0.30 . 456 43 43 ILE N N 120.90 0.30 . 457 44 44 ASN H H 7.04 0.02 . 458 44 44 ASN HA H 4.96 0.02 . 459 44 44 ASN HB2 H 2.83 0.02 . 460 44 44 ASN HB3 H 2.43 0.02 . 461 44 44 ASN HD21 H 7.46 0.02 . 462 44 44 ASN HD22 H 7.06 0.02 . 463 44 44 ASN C C 173.85 0.30 . 464 44 44 ASN CA C 51.81 0.30 . 465 44 44 ASN CB C 39.42 0.30 . 466 44 44 ASN N N 118.13 0.30 . 467 44 44 ASN ND2 N 114.28 0.30 . 468 45 45 LYS H H 6.85 0.02 . 469 45 45 LYS HA H 4.24 0.02 . 470 45 45 LYS HB2 H 2.10 0.02 . 471 45 45 LYS HB3 H 1.93 0.02 . 472 45 45 LYS HG2 H 1.51 0.02 . 473 45 45 LYS HG3 H 1.51 0.02 . 474 45 45 LYS HD2 H 1.79 0.02 . 475 45 45 LYS HD3 H 1.73 0.02 . 476 45 45 LYS HE2 H 3.07 0.02 . 477 45 45 LYS HE3 H 3.00 0.02 . 478 45 45 LYS C C 177.40 0.30 . 479 45 45 LYS CA C 59.92 0.30 . 480 45 45 LYS CB C 32.40 0.30 . 481 45 45 LYS CG C 24.48 0.30 . 482 45 45 LYS CD C 29.93 0.30 . 483 45 45 LYS CE C 41.50 0.30 . 484 45 45 LYS N N 119.78 0.30 . 485 46 46 GLY H H 9.10 0.02 . 486 46 46 GLY HA2 H 4.40 0.02 . 487 46 46 GLY HA3 H 3.78 0.02 . 488 46 46 GLY C C 173.00 0.30 . 489 46 46 GLY CA C 45.64 0.30 . 490 46 46 GLY N N 113.83 0.30 . 491 47 47 GLN H H 8.61 0.02 . 492 47 47 GLN HA H 4.63 0.02 . 493 47 47 GLN HB2 H 2.14 0.02 . 494 47 47 GLN HB3 H 2.00 0.02 . 495 47 47 GLN HG2 H 2.26 0.02 . 496 47 47 GLN HG3 H 2.22 0.02 . 497 47 47 GLN HE21 H 7.55 0.02 . 498 47 47 GLN HE22 H 6.85 0.02 . 499 47 47 GLN C C 173.98 0.30 . 500 47 47 GLN CA C 53.69 0.30 . 501 47 47 GLN CB C 31.25 0.30 . 502 47 47 GLN CG C 33.50 0.30 . 503 47 47 GLN N N 118.85 0.30 . 504 47 47 GLN NE2 N 112.74 0.30 . 505 48 48 LEU H H 8.34 0.02 . 506 48 48 LEU HA H 3.96 0.02 . 507 48 48 LEU HB2 H 1.65 0.02 . 508 48 48 LEU HB3 H 1.42 0.02 . 509 48 48 LEU HG H 1.35 0.02 . 510 48 48 LEU HD1 H 0.77 0.02 . 511 48 48 LEU HD2 H 0.68 0.02 . 512 48 48 LEU C C 176.94 0.30 . 513 48 48 LEU CA C 56.27 0.30 . 514 48 48 LEU CB C 43.00 0.30 . 515 48 48 LEU CG C 27.03 0.30 . 516 48 48 LEU CD1 C 25.82 0.30 . 517 48 48 LEU CD2 C 24.13 0.30 . 518 48 48 LEU N N 121.29 0.30 . 519 49 49 CYS H H 9.36 0.03 . 520 49 49 CYS HA H 4.96 0.03 . 521 49 49 CYS HB2 H 3.05 0.02 . 522 49 49 CYS HB3 H 2.45 0.02 . 523 49 49 CYS C C 174.36 0.30 . 524 49 49 CYS CA C 57.87 0.30 . 525 49 49 CYS CB C 29.23 0.30 . 526 49 49 CYS N N 124.70 0.30 . 527 50 50 LEU H H 9.34 0.02 . 528 50 50 LEU HA H 4.41 0.02 . 529 50 50 LEU HB2 H 1.63 0.02 . 530 50 50 LEU HB3 H 1.29 0.02 . 531 50 50 LEU HG H 1.78 0.02 . 532 50 50 LEU HD1 H 0.85 0.02 . 533 50 50 LEU HD2 H 0.82 0.02 . 534 50 50 LEU C C 178.96 0.30 . 535 50 50 LEU CA C 55.02 0.30 . 536 50 50 LEU CB C 41.83 0.30 . 537 50 50 LEU CG C 27.28 0.30 . 538 50 50 LEU CD1 C 22.72 0.30 . 539 50 50 LEU CD2 C 25.17 0.30 . 540 50 50 LEU N N 124.72 0.30 . 541 51 51 ARG H H 8.69 0.02 . 542 51 51 ARG HA H 3.88 0.02 . 543 51 51 ARG HB2 H 1.91 0.02 . 544 51 51 ARG HB3 H 1.91 0.02 . 545 51 51 ARG HG2 H 1.63 0.02 . 546 51 51 ARG HG3 H 1.60 0.02 . 547 51 51 ARG HD2 H 3.30 0.02 . 548 51 51 ARG HD3 H 3.23 0.02 . 549 51 51 ARG C C 177.97 0.30 . 550 51 51 ARG CA C 61.61 0.30 . 551 51 51 ARG CB C 30.10 0.30 . 552 51 51 ARG CG C 28.28 0.30 . 553 51 51 ARG CD C 43.27 0.30 . 554 51 51 ARG N N 122.67 0.30 . 555 52 52 LYS H H 8.67 0.02 . 556 52 52 LYS HA H 4.05 0.02 . 557 52 52 LYS HB2 H 1.87 0.02 . 558 52 52 LYS HB3 H 1.59 0.02 . 559 52 52 LYS HG2 H 1.18 0.02 . 560 52 52 LYS HG3 H 1.10 0.02 . 561 52 52 LYS HD2 H 1.63 0.02 . 562 52 52 LYS HD3 H 1.60 0.02 . 563 52 52 LYS C C 177.82 0.30 . 564 52 52 LYS CA C 59.35 0.30 . 565 52 52 LYS CB C 31.89 0.30 . 566 52 52 LYS CG C 24.21 0.30 . 567 52 52 LYS CD C 28.78 0.30 . 568 52 52 LYS N N 114.75 0.30 . 569 53 53 HIS H H 6.89 0.02 . 570 53 53 HIS HA H 4.62 0.02 . 571 53 53 HIS HB2 H 3.28 0.02 . 572 53 53 HIS HB3 H 3.13 0.02 . 573 53 53 HIS C C 177.79 0.30 . 574 53 53 HIS CA C 57.67 0.30 . 575 53 53 HIS CB C 31.63 0.30 . 576 53 53 HIS N N 118.79 0.30 . 577 54 54 LEU H H 7.72 0.02 . 578 54 54 LEU HA H 4.02 0.02 . 579 54 54 LEU HB2 H 1.96 0.02 . 580 54 54 LEU HB3 H 1.26 0.02 . 581 54 54 LEU HG H 1.78 0.02 . 582 54 54 LEU HD1 H 0.79 0.02 . 583 54 54 LEU HD2 H 0.79 0.02 . 584 54 54 LEU C C 178.42 0.30 . 585 54 54 LEU CA C 57.47 0.30 . 586 54 54 LEU CB C 41.31 0.30 . 587 54 54 LEU CG C 27.11 0.30 . 588 54 54 LEU CD1 C 27.02 0.30 . 589 54 54 LEU CD2 C 23.07 0.30 . 590 54 54 LEU N N 118.09 0.30 . 591 55 55 LEU H H 8.26 0.02 . 592 55 55 LEU HA H 3.87 0.02 . 593 55 55 LEU HB2 H 1.73 0.02 . 594 55 55 LEU HB3 H 1.64 0.02 . 595 55 55 LEU HG H 1.59 0.02 . 596 55 55 LEU HD1 H 0.85 0.02 . 597 55 55 LEU HD2 H 0.89 0.02 . 598 55 55 LEU C C 178.85 0.30 . 599 55 55 LEU CA C 57.65 0.30 . 600 55 55 LEU CB C 41.73 0.30 . 601 55 55 LEU CG C 27.05 0.30 . 602 55 55 LEU CD1 C 24.74 0.30 . 603 55 55 LEU CD2 C 24.74 0.30 . 604 55 55 LEU N N 119.17 0.30 . 605 56 56 GLU H H 7.35 0.02 . 606 56 56 GLU HA H 3.93 0.02 . 607 56 56 GLU HB2 H 2.19 0.02 . 608 56 56 GLU HB3 H 2.11 0.02 . 609 56 56 GLU HG2 H 2.52 0.02 . 610 56 56 GLU HG3 H 2.32 0.02 . 611 56 56 GLU C C 178.18 0.30 . 612 56 56 GLU CA C 58.76 0.30 . 613 56 56 GLU CB C 29.59 0.30 . 614 56 56 GLU CG C 36.18 0.30 . 615 56 56 GLU N N 116.64 0.30 . 616 57 57 GLU H H 7.39 0.02 . 617 57 57 GLU HA H 4.20 0.02 . 618 57 57 GLU HB2 H 2.05 0.02 . 619 57 57 GLU HB3 H 2.05 0.02 . 620 57 57 GLU HG2 H 2.35 0.02 . 621 57 57 GLU HG3 H 2.10 0.02 . 622 57 57 GLU C C 177.72 0.30 . 623 57 57 GLU CA C 56.93 0.30 . 624 57 57 GLU CB C 29.50 0.30 . 625 57 57 GLU CG C 34.65 0.30 . 626 57 57 GLU N N 115.29 0.30 . 627 58 58 ILE H H 7.29 0.02 . 628 58 58 ILE HA H 3.97 0.02 . 629 58 58 ILE HB H 2.00 0.02 . 630 58 58 ILE HG12 H 1.46 0.02 . 631 58 58 ILE HG13 H 1.03 0.02 . 632 58 58 ILE HG2 H 0.81 0.02 . 633 58 58 ILE HD1 H 0.73 0.02 . 634 58 58 ILE C C 176.73 0.30 . 635 58 58 ILE CA C 62.20 0.30 . 636 58 58 ILE CB C 37.84 0.30 . 637 58 58 ILE CG1 C 27.06 0.30 . 638 58 58 ILE CG2 C 17.95 0.30 . 639 58 58 ILE CD1 C 14.46 0.30 . 640 58 58 ILE N N 113.71 0.30 . 641 59 59 LYS H H 7.81 0.02 . 642 59 59 LYS HA H 4.16 0.02 . 643 59 59 LYS HB2 H 1.75 0.02 . 644 59 59 LYS HB3 H 1.75 0.02 . 645 59 59 LYS C C 176.52 0.30 . 646 59 59 LYS CA C 57.60 0.30 . 647 59 59 LYS CB C 32.83 0.30 . 648 59 59 LYS N N 123.85 0.30 . 649 60 60 ASN H H 8.26 0.02 . 650 60 60 ASN HA H 4.58 0.02 . 651 60 60 ASN HB2 H 2.68 0.02 . 652 60 60 ASN HB3 H 2.54 0.02 . 653 60 60 ASN HD21 H 7.51 0.02 . 654 60 60 ASN HD22 H 6.95 0.02 . 655 60 60 ASN CA C 53.89 0.30 . 656 60 60 ASN CB C 38.45 0.30 . 657 60 60 ASN N N 116.73 0.30 . 658 60 60 ASN ND2 N 112.94 0.30 . 659 61 61 HIS HA H 4.63 0.02 . 660 61 61 HIS HB2 H 3.14 0.02 . 661 61 61 HIS HB3 H 2.95 0.02 . 662 61 61 HIS C C 175.14 0.30 . 663 61 61 HIS CA C 56.46 0.30 . 664 61 61 HIS CB C 30.54 0.30 . 665 62 62 ALA H H 8.03 0.02 . 666 62 62 ALA HA H 4.31 0.02 . 667 62 62 ALA HB H 1.35 0.02 . 668 62 62 ALA C C 177.16 0.30 . 669 62 62 ALA CA C 52.63 0.30 . 670 62 62 ALA CB C 19.35 0.30 . 671 62 62 ALA N N 123.64 0.30 . 672 63 63 LYS H H 8.22 0.02 . 673 63 63 LYS HA H 4.24 0.02 . 674 63 63 LYS HB2 H 1.90 0.02 . 675 63 63 LYS HB3 H 1.78 0.02 . 676 63 63 LYS C C 176.46 0.30 . 677 63 63 LYS CA C 56.75 0.30 . 678 63 63 LYS CB C 32.63 0.30 . 679 63 63 LYS N N 120.90 0.30 . 680 64 64 ALA H H 8.07 0.02 . 681 64 64 ALA HA H 4.30 0.02 . 682 64 64 ALA HB H 1.36 0.02 . 683 64 64 ALA C C 177.39 0.30 . 684 64 64 ALA CA C 52.53 0.30 . 685 64 64 ALA CB C 19.27 0.30 . 686 64 64 ALA N N 122.72 0.30 . 687 65 65 ILE H H 8.11 0.02 . 688 65 65 ILE HA H 4.07 0.02 . 689 65 65 ILE HB H 1.87 0.02 . 690 65 65 ILE HG12 H 1.48 0.02 . 691 65 65 ILE HG13 H 1.20 0.02 . 692 65 65 ILE HG2 H 0.88 0.02 . 693 65 65 ILE HD1 H 0.84 0.02 . 694 65 65 ILE C C 176.57 0.30 . 695 65 65 ILE CA C 61.93 0.30 . 696 65 65 ILE CB C 38.29 0.30 . 697 65 65 ILE CG1 C 27.53 0.30 . 698 65 65 ILE CG2 C 17.63 0.30 . 699 65 65 ILE CD1 C 12.92 0.30 . 700 65 65 ILE N N 119.38 0.30 . 701 66 66 VAL H H 7.90 0.02 . 702 66 66 VAL HA H 4.22 0.02 . 703 66 66 VAL HB H 2.12 0.02 . 704 66 66 VAL HG1 H 0.93 0.02 . 705 66 66 VAL HG2 H 0.93 0.02 . 706 66 66 VAL C C 176.03 0.30 . 707 66 66 VAL CA C 61.85 0.30 . 708 66 66 VAL CB C 33.08 0.30 . 709 66 66 VAL CG1 C 21.19 0.30 . 710 66 66 VAL CG2 C 20.61 0.30 . 711 66 66 VAL N N 121.30 0.30 . 712 67 67 ALA H H 8.33 0.02 . 713 67 67 ALA HA H 4.31 0.02 . 714 67 67 ALA HB H 1.40 0.02 . 715 67 67 ALA C C 178.15 0.30 . 716 67 67 ALA CA C 53.40 0.30 . 717 67 67 ALA CB C 18.82 0.30 . 718 67 67 ALA N N 126.12 0.30 . 719 68 68 ARG H H 8.37 0.02 . 720 68 68 ARG HA H 4.27 0.02 . 721 68 68 ARG HB2 H 1.82 0.02 . 722 68 68 ARG HB3 H 1.82 0.02 . 723 68 68 ARG C C 175.47 0.30 . 724 68 68 ARG CA C 56.19 0.30 . 725 68 68 ARG CB C 29.62 0.30 . 726 68 68 ARG N N 119.42 0.30 . 727 69 69 ASN H H 7.76 0.02 . 728 69 69 ASN HA H 4.71 0.02 . 729 69 69 ASN HB2 H 2.86 0.02 . 730 69 69 ASN HB3 H 2.81 0.02 . 731 69 69 ASN HD21 H 7.68 0.02 . 732 69 69 ASN HD22 H 7.08 0.02 . 733 69 69 ASN C C 176.02 0.30 . 734 69 69 ASN CA C 53.15 0.30 . 735 69 69 ASN CB C 39.30 0.30 . 736 69 69 ASN N N 117.94 0.30 . 737 69 69 ASN ND2 N 112.11 0.30 . 738 70 70 VAL H H 8.52 0.02 . 739 70 70 VAL HA H 3.59 0.02 . 740 70 70 VAL HB H 2.08 0.02 . 741 70 70 VAL HG1 H 1.02 0.02 . 742 70 70 VAL HG2 H 0.85 0.02 . 743 70 70 VAL C C 176.36 0.30 . 744 70 70 VAL CA C 66.24 0.30 . 745 70 70 VAL CB C 32.64 0.30 . 746 70 70 VAL CG1 C 23.01 0.30 . 747 70 70 VAL CG2 C 22.74 0.30 . 748 70 70 VAL N N 121.67 0.30 . 749 71 71 ASP H H 8.03 0.02 . 750 71 71 ASP HA H 4.16 0.02 . 751 71 71 ASP HB2 H 2.72 0.02 . 752 71 71 ASP HB3 H 2.72 0.02 . 753 71 71 ASP C C 178.67 0.30 . 754 71 71 ASP CA C 58.05 0.30 . 755 71 71 ASP CB C 40.43 0.30 . 756 71 71 ASP N N 118.13 0.30 . 757 72 72 VAL H H 7.54 0.02 . 758 72 72 VAL HA H 3.70 0.02 . 759 72 72 VAL HB H 1.83 0.02 . 760 72 72 VAL HG1 H 0.86 0.02 . 761 72 72 VAL HG2 H 0.65 0.02 . 762 72 72 VAL C C 178.02 0.30 . 763 72 72 VAL CA C 65.61 0.30 . 764 72 72 VAL CB C 31.72 0.30 . 765 72 72 VAL CG1 C 21.72 0.30 . 766 72 72 VAL CG2 C 20.41 0.30 . 767 72 72 VAL N N 119.41 0.30 . 768 73 73 HIS H H 6.87 0.02 . 769 73 73 HIS HA H 4.55 0.02 . 770 73 73 HIS HB2 H 2.82 0.02 . 771 73 73 HIS HB3 H 2.64 0.02 . 772 73 73 HIS C C 177.86 0.30 . 773 73 73 HIS CA C 58.33 0.30 . 774 73 73 HIS CB C 31.31 0.30 . 775 73 73 HIS N N 119.97 0.30 . 776 74 74 ILE H H 7.99 0.02 . 777 74 74 ILE HA H 3.56 0.02 . 778 74 74 ILE HB H 1.92 0.02 . 779 74 74 ILE HG12 H 1.05 0.02 . 780 74 74 ILE HG13 H 0.55 0.02 . 781 74 74 ILE HG2 H 0.56 0.02 . 782 74 74 ILE HD1 H 0.02 0.02 . 783 74 74 ILE C C 177.31 0.30 . 784 74 74 ILE CA C 62.69 0.30 . 785 74 74 ILE CB C 35.22 0.30 . 786 74 74 ILE CG1 C 26.86 0.30 . 787 74 74 ILE CG2 C 16.24 0.30 . 788 74 74 ILE CD1 C 10.15 0.30 . 789 74 74 ILE N N 119.70 0.30 . 790 75 75 ALA H H 7.92 0.02 . 791 75 75 ALA HA H 4.06 0.02 . 792 75 75 ALA HB H 1.46 0.02 . 793 75 75 ALA C C 180.71 0.30 . 794 75 75 ALA CA C 55.34 0.30 . 795 75 75 ALA CB C 17.68 0.30 . 796 75 75 ALA N N 121.21 0.30 . 797 76 76 SER H H 7.76 0.02 . 798 76 76 SER HA H 4.22 0.02 . 799 76 76 SER HB2 H 3.97 0.02 . 800 76 76 SER HB3 H 3.97 0.02 . 801 76 76 SER C C 177.24 0.30 . 802 76 76 SER CA C 61.16 0.30 . 803 76 76 SER CB C 62.30 0.30 . 804 76 76 SER N N 113.70 0.30 . 805 77 77 LEU H H 8.32 0.02 . 806 77 77 LEU HA H 3.80 0.02 . 807 77 77 LEU HB2 H 1.78 0.02 . 808 77 77 LEU HB3 H 1.78 0.02 . 809 77 77 LEU HG H 1.78 0.02 . 810 77 77 LEU HD1 H 0.76 0.02 . 811 77 77 LEU HD2 H 0.77 0.02 . 812 77 77 LEU C C 177.96 0.30 . 813 77 77 LEU CA C 58.37 0.30 . 814 77 77 LEU CB C 43.03 0.30 . 815 77 77 LEU CG C 27.11 0.30 . 816 77 77 LEU CD1 C 26.07 0.30 . 817 77 77 LEU CD2 C 24.26 0.30 . 818 77 77 LEU N N 123.25 0.30 . 819 78 78 ARG H H 8.63 0.02 . 820 78 78 ARG HA H 3.70 0.02 . 821 78 78 ARG HB2 H 1.87 0.02 . 822 78 78 ARG HB3 H 1.74 0.02 . 823 78 78 ARG HG2 H 1.69 0.02 . 824 78 78 ARG HG3 H 1.59 0.02 . 825 78 78 ARG HD2 H 3.11 0.02 . 826 78 78 ARG HD3 H 3.07 0.02 . 827 78 78 ARG C C 178.94 0.30 . 828 78 78 ARG CA C 60.91 0.30 . 829 78 78 ARG CB C 30.39 0.30 . 830 78 78 ARG CG C 28.75 0.30 . 831 78 78 ARG CD C 44.09 0.30 . 832 78 78 ARG N N 115.89 0.30 . 833 79 79 LYS H H 7.41 0.02 . 834 79 79 LYS HA H 4.06 0.02 . 835 79 79 LYS HB2 H 1.97 0.02 . 836 79 79 LYS HB3 H 1.97 0.02 . 837 79 79 LYS HG2 H 1.53 0.02 . 838 79 79 LYS HG3 H 1.42 0.02 . 839 79 79 LYS HD2 H 1.70 0.02 . 840 79 79 LYS HD3 H 1.70 0.02 . 841 79 79 LYS C C 180.19 0.30 . 842 79 79 LYS CA C 59.17 0.30 . 843 79 79 LYS CB C 32.40 0.02 . 844 79 79 LYS CG C 25.95 0.30 . 845 79 79 LYS CD C 29.39 0.30 . 846 79 79 LYS N N 117.34 0.30 . 847 80 80 LYS H H 8.37 0.02 . 848 80 80 LYS HA H 4.02 0.02 . 849 80 80 LYS HB2 H 1.75 0.02 . 850 80 80 LYS HB3 H 1.66 0.02 . 851 80 80 LYS C C 178.00 0.30 . 852 80 80 LYS CA C 59.61 0.30 . 853 80 80 LYS CB C 32.91 0.30 . 854 80 80 LYS N N 119.42 0.30 . 855 81 81 LEU H H 7.76 0.02 . 856 81 81 LEU HA H 4.23 0.02 . 857 81 81 LEU HB2 H 1.67 0.02 . 858 81 81 LEU HB3 H 1.53 0.02 . 859 81 81 LEU HG H 1.90 0.02 . 860 81 81 LEU HD1 H 0.79 0.02 . 861 81 81 LEU HD2 H 0.81 0.02 . 862 81 81 LEU C C 177.96 0.30 . 863 81 81 LEU CA C 54.72 0.30 . 864 81 81 LEU CB C 41.99 0.30 . 865 81 81 LEU CG C 26.69 0.30 . 866 81 81 LEU CD1 C 25.61 0.30 . 867 81 81 LEU CD2 C 22.32 0.30 . 868 81 81 LEU N N 114.41 0.30 . 869 82 82 GLY H H 7.67 0.02 . 870 82 82 GLY HA2 H 4.02 0.02 . 871 82 82 GLY HA3 H 3.83 0.02 . 872 82 82 GLY C C 177.19 0.30 . 873 82 82 GLY CA C 46.89 0.30 . 874 82 82 GLY N N 109.70 0.30 . 875 83 83 ALA H H 9.56 0.02 . 876 83 83 ALA HA H 4.15 0.02 . 877 83 83 ALA HB H 1.39 0.02 . 878 83 83 ALA C C 179.42 0.30 . 879 83 83 ALA CA C 54.78 0.30 . 880 83 83 ALA CB C 18.20 0.30 . 881 83 83 ALA N N 132.17 0.30 . 882 84 84 TYR H H 8.13 0.02 . 883 84 84 TYR HA H 4.25 0.02 . 884 84 84 TYR HB2 H 3.22 0.02 . 885 84 84 TYR HB3 H 3.22 0.02 . 886 84 84 TYR C C 177.00 0.30 . 887 84 84 TYR CA C 60.00 0.30 . 888 84 84 TYR CB C 38.45 0.30 . 889 84 84 TYR N N 115.07 0.30 . 890 85 85 GLY H H 8.34 0.02 . 891 85 85 GLY HA2 H 4.14 0.02 . 892 85 85 GLY HA3 H 3.66 0.02 . 893 85 85 GLY C C 175.13 0.30 . 894 85 85 GLY CA C 47.86 0.30 . 895 85 85 GLY N N 108.33 0.30 . 896 86 86 SER H H 7.49 0.02 . 897 86 86 SER HA H 4.17 0.02 . 898 86 86 SER HB2 H 3.93 0.02 . 899 86 86 SER HB3 H 3.86 0.02 . 900 86 86 SER C C 175.09 0.30 . 901 86 86 SER CA C 59.77 0.30 . 902 86 86 SER CB C 62.81 0.30 . 903 86 86 SER N N 112.97 0.30 . 904 87 87 ARG H H 7.31 0.02 . 905 87 87 ARG HA H 3.87 0.02 . 906 87 87 ARG HB2 H 1.24 0.02 . 907 87 87 ARG HB3 H 1.19 0.02 . 908 87 87 ARG HG2 H 1.55 0.02 . 909 87 87 ARG HG3 H 1.50 0.02 . 910 87 87 ARG HD2 H 2.92 0.02 . 911 87 87 ARG HD3 H 2.92 0.02 . 912 87 87 ARG C C 175.56 0.30 . 913 87 87 ARG CA C 56.15 0.30 . 914 87 87 ARG CB C 29.28 0.30 . 915 87 87 ARG CG C 28.16 0.30 . 916 87 87 ARG CD C 42.15 0.30 . 917 87 87 ARG N N 118.88 0.30 . 918 88 88 ILE H H 7.25 0.02 . 919 88 88 ILE HA H 4.31 0.02 . 920 88 88 ILE HB H 1.85 0.02 . 921 88 88 ILE HG12 H 1.54 0.02 . 922 88 88 ILE HG13 H 0.75 0.02 . 923 88 88 ILE HG2 H 0.68 0.02 . 924 88 88 ILE HD1 H 0.70 0.02 . 925 88 88 ILE C C 175.18 0.30 . 926 88 88 ILE CA C 61.45 0.30 . 927 88 88 ILE CB C 36.82 0.30 . 928 88 88 ILE CG1 C 28.45 0.30 . 929 88 88 ILE CG2 C 17.40 0.30 . 930 88 88 ILE CD1 C 13.83 0.30 . 931 88 88 ILE N N 116.85 0.30 . 932 89 89 VAL H H 9.65 0.02 . 933 89 89 VAL HA H 4.17 0.02 . 934 89 89 VAL HB H 1.92 0.02 . 935 89 89 VAL HG1 H 0.84 0.02 . 936 89 89 VAL HG2 H 0.80 0.02 . 937 89 89 VAL C C 175.53 0.30 . 938 89 89 VAL CA C 61.78 0.30 . 939 89 89 VAL CB C 34.22 0.30 . 940 89 89 VAL CG1 C 21.19 0.30 . 941 89 89 VAL CG2 C 21.13 0.30 . 942 89 89 VAL N N 133.14 0.30 . 943 90 90 THR H H 8.81 0.02 . 944 90 90 THR HA H 4.18 0.02 . 945 90 90 THR HB H 4.03 0.02 . 946 90 90 THR HG2 H 1.01 0.02 . 947 90 90 THR C C 173.57 0.30 . 948 90 90 THR CA C 62.35 0.30 . 949 90 90 THR CB C 69.80 0.30 . 950 90 90 THR CG2 C 21.88 0.30 . 951 90 90 THR N N 122.79 0.30 . 952 91 91 LEU H H 8.25 0.02 . 953 91 91 LEU HA H 4.59 0.02 . 954 91 91 LEU HB2 H 1.36 0.02 . 955 91 91 LEU HB3 H 1.11 0.02 . 956 91 91 LEU HG H 1.38 0.02 . 957 91 91 LEU HD1 H 0.77 0.02 . 958 91 91 LEU HD2 H 0.73 0.02 . 959 91 91 LEU C C 175.41 0.30 . 960 91 91 LEU CA C 53.47 0.30 . 961 91 91 LEU CB C 40.81 0.30 . 962 91 91 LEU CG C 27.69 0.30 . 963 91 91 LEU CD1 C 24.88 0.30 . 964 91 91 LEU CD2 C 24.88 0.30 . 965 91 91 LEU N N 130.20 0.30 . 966 93 93 GLY HA2 H 4.09 0.02 . 967 93 93 GLY HA3 H 3.79 0.02 . 968 93 93 GLY C C 174.12 0.02 . 969 93 93 GLY CA C 45.53 0.02 . 970 94 94 VAL H H 8.16 0.02 . 971 94 94 VAL HA H 4.25 0.02 . 972 94 94 VAL HB H 1.74 0.02 . 973 94 94 VAL HG1 H 0.86 0.02 . 974 94 94 VAL HG2 H 0.79 0.02 . 975 94 94 VAL C C 176.71 0.30 . 976 94 94 VAL CA C 63.80 0.30 . 977 94 94 VAL CB C 34.82 0.30 . 978 94 94 VAL CG1 C 21.72 0.30 . 979 94 94 VAL CG2 C 20.30 0.30 . 980 94 94 VAL N N 118.23 0.30 . 981 95 95 GLY H H 8.03 0.02 . 982 95 95 GLY HA2 H 4.51 0.02 . 983 95 95 GLY HA3 H 3.58 0.02 . 984 95 95 GLY C C 169.77 0.30 . 985 95 95 GLY CA C 46.52 0.30 . 986 95 95 GLY N N 106.76 0.30 . 987 96 96 TYR H H 8.72 0.02 . 988 96 96 TYR HA H 5.45 0.02 . 989 96 96 TYR HB2 H 2.79 0.02 . 990 96 96 TYR HB3 H 2.30 0.02 . 991 96 96 TYR C C 173.00 0.30 . 992 96 96 TYR CA C 56.34 0.30 . 993 96 96 TYR CB C 44.16 0.30 . 994 96 96 TYR N N 119.83 0.30 . 995 97 97 LEU H H 8.89 0.02 . 996 97 97 LEU HA H 4.90 0.02 . 997 97 97 LEU HB2 H 1.49 0.02 . 998 97 97 LEU HB3 H 1.28 0.02 . 999 97 97 LEU HG H 1.66 0.02 . 1000 97 97 LEU HD1 H 0.58 0.02 . 1001 97 97 LEU HD2 H 0.59 0.02 . 1002 97 97 LEU C C 173.54 0.30 . 1003 97 97 LEU CA C 54.82 0.30 . 1004 97 97 LEU CB C 46.93 0.30 . 1005 97 97 LEU CG C 27.69 0.30 . 1006 97 97 LEU CD1 C 25.87 0.30 . 1007 97 97 LEU CD2 C 26.26 0.30 . 1008 97 97 LEU N N 119.70 0.30 . 1009 98 98 PHE H H 9.80 0.02 . 1010 98 98 PHE HA H 5.07 0.02 . 1011 98 98 PHE HB2 H 3.14 0.02 . 1012 98 98 PHE HB3 H 2.43 0.02 . 1013 98 98 PHE C C 174.81 0.30 . 1014 98 98 PHE CA C 56.23 0.30 . 1015 98 98 PHE CB C 41.10 0.30 . 1016 98 98 PHE N N 126.47 0.30 . 1017 99 99 SER H H 9.01 0.02 . 1018 99 99 SER HA H 4.27 0.02 . 1019 99 99 SER HB2 H 3.74 0.02 . 1020 99 99 SER HB3 H 3.68 0.02 . 1021 99 99 SER C C 173.88 0.30 . 1022 99 99 SER CA C 58.31 0.30 . 1023 99 99 SER CB C 64.33 0.30 . 1024 99 99 SER N N 124.28 0.30 . 1025 100 100 ASP H H 8.80 0.02 . 1026 100 100 ASP HA H 4.71 0.02 . 1027 100 100 ASP HB2 H 2.72 0.02 . 1028 100 100 ASP HB3 H 2.66 0.02 . 1029 100 100 ASP C C 176.11 0.30 . 1030 100 100 ASP CA C 53.91 0.30 . 1031 100 100 ASP CB C 42.19 0.30 . 1032 100 100 ASP N N 123.59 0.30 . 1033 101 101 ASP H H 8.40 0.02 . 1034 101 101 ASP HA H 4.55 0.02 . 1035 101 101 ASP HB2 H 2.72 0.02 . 1036 101 101 ASP HB3 H 2.66 0.02 . 1037 101 101 ASP C C 176.96 0.30 . 1038 101 101 ASP CA C 54.93 0.30 . 1039 101 101 ASP CB C 41.07 0.30 . 1040 101 101 ASP N N 120.94 0.30 . 1041 102 102 GLY H H 8.50 0.02 . 1042 102 102 GLY HA2 H 3.91 0.02 . 1043 102 102 GLY HA3 H 3.91 0.02 . 1044 102 102 GLY C C 174.17 0.30 . 1045 102 102 GLY CA C 45.73 0.30 . 1046 102 102 GLY N N 109.10 0.30 . 1047 103 103 ASP H H 8.20 0.02 . 1048 103 103 ASP HA H 4.55 0.02 . 1049 103 103 ASP HB2 H 2.72 0.02 . 1050 103 103 ASP HB3 H 2.66 0.02 . 1051 103 103 ASP C C 176.64 0.30 . 1052 103 103 ASP CA C 54.58 0.30 . 1053 103 103 ASP CB C 41.05 0.30 . 1054 103 103 ASP N N 120.43 0.30 . 1055 104 104 LYS H H 8.21 0.02 . 1056 104 104 LYS HA H 4.22 0.02 . 1057 104 104 LYS HB2 H 1.73 0.02 . 1058 104 104 LYS HB3 H 1.36 0.02 . 1059 104 104 LYS C C 176.75 0.30 . 1060 104 104 LYS CA C 56.66 0.30 . 1061 104 104 LYS CB C 32.82 0.30 . 1062 104 104 LYS N N 121.75 0.30 . 1063 105 105 LYS H H 8.24 0.02 . 1064 105 105 LYS HA H 4.14 0.02 . 1065 105 105 LYS HB2 H 1.84 0.02 . 1066 105 105 LYS HB3 H 1.62 0.02 . 1067 105 105 LYS C C 176.53 0.30 . 1068 105 105 LYS CA C 56.64 0.30 . 1069 105 105 LYS CB C 32.82 0.30 . 1070 105 105 LYS N N 121.53 0.30 . 1071 106 106 PHE H H 8.19 0.02 . 1072 106 106 PHE HA H 4.64 0.02 . 1073 106 106 PHE HB2 H 3.14 0.02 . 1074 106 106 PHE HB3 H 2.97 0.02 . 1075 106 106 PHE C C 175.82 0.30 . 1076 106 106 PHE CA C 57.84 0.30 . 1077 106 106 PHE CB C 39.47 0.30 . 1078 106 106 PHE N N 120.45 0.30 . 1079 107 107 SER H H 8.20 0.02 . 1080 107 107 SER HA H 4.40 0.02 . 1081 107 107 SER HB2 H 3.85 0.02 . 1082 107 107 SER HB3 H 3.81 0.02 . 1083 107 107 SER C C 174.44 0.30 . 1084 107 107 SER CA C 58.25 0.30 . 1085 107 107 SER CB C 64.04 0.30 . 1086 107 107 SER N N 117.19 0.30 . 1087 108 108 GLN H H 8.41 0.02 . 1088 108 108 GLN HA H 4.35 0.02 . 1089 108 108 GLN HB2 H 2.16 0.02 . 1090 108 108 GLN HB3 H 2.03 0.02 . 1091 108 108 GLN C C 177.28 0.30 . 1092 108 108 GLN CA C 55.99 0.30 . 1093 108 108 GLN CB C 29.64 0.30 . 1094 108 108 GLN N N 122.25 0.30 . 1095 109 109 GLN H H 8.36 0.02 . 1096 109 109 GLN HA H 4.31 0.02 . 1097 109 109 GLN HB2 H 2.14 0.02 . 1098 109 109 GLN HB3 H 2.00 0.02 . 1099 109 109 GLN C C 175.75 0.30 . 1100 109 109 GLN CA C 56.21 0.30 . 1101 109 109 GLN CB C 29.40 0.30 . 1102 109 109 GLN N N 120.95 0.30 . 1103 110 110 ASP H H 8.34 0.02 . 1104 110 110 ASP HA H 4.61 0.02 . 1105 110 110 ASP HB2 H 2.72 0.02 . 1106 110 110 ASP HB3 H 2.66 0.02 . 1107 110 110 ASP C C 176.74 0.30 . 1108 110 110 ASP CA C 54.60 0.30 . 1109 110 110 ASP CB C 41.04 0.30 . 1110 110 110 ASP N N 121.54 0.30 . 1111 111 111 THR H H 8.11 0.02 . 1112 111 111 THR HA H 4.26 0.02 . 1113 111 111 THR HB H 4.16 0.02 . 1114 111 111 THR HG2 H 1.19 0.02 . 1115 111 111 THR C C 174.87 0.30 . 1116 111 111 THR CA C 62.50 0.30 . 1117 111 111 THR CB C 69.81 0.30 . 1118 111 111 THR CG2 C 21.55 0.30 . 1119 111 111 THR N N 115.14 0.30 . 1120 112 112 LYS H H 8.30 0.02 . 1121 112 112 LYS HA H 4.25 0.02 . 1122 112 112 LYS HB2 H 1.78 0.02 . 1123 112 112 LYS HB3 H 1.78 0.02 . 1124 112 112 LYS C C 176.76 0.30 . 1125 112 112 LYS CA C 56.81 0.30 . 1126 112 112 LYS CB C 32.68 0.30 . 1127 112 112 LYS N N 123.26 0.30 . 1128 113 113 LEU H H 8.12 0.02 . 1129 113 113 LEU HA H 4.27 0.02 . 1130 113 113 LEU HB2 H 1.57 0.02 . 1131 113 113 LEU HB3 H 1.57 0.02 . 1132 113 113 LEU C C 177.44 0.30 . 1133 113 113 LEU CA C 55.33 0.30 . 1134 113 113 LEU CB C 42.22 0.30 . 1135 113 113 LEU N N 122.38 0.30 . 1136 114 114 SER H H 8.24 0.02 . 1137 114 114 SER HA H 4.39 0.02 . 1138 114 114 SER HB2 H 3.87 0.02 . 1139 114 114 SER HB3 H 3.82 0.02 . 1140 114 114 SER C C 174.75 0.30 . 1141 114 114 SER CA C 58.31 0.30 . 1142 114 114 SER CB C 63.61 0.30 . 1143 114 114 SER N N 116.50 0.30 . 1144 115 115 LEU H H 8.24 0.02 . 1145 115 115 LEU HA H 4.26 0.02 . 1146 115 115 LEU HB2 H 1.72 0.02 . 1147 115 115 LEU HB3 H 1.56 0.02 . 1148 115 115 LEU C C 177.51 0.30 . 1149 115 115 LEU CA C 55.45 0.30 . 1150 115 115 LEU CB C 42.20 0.30 . 1151 115 115 LEU N N 123.94 0.30 . stop_ save_