data_6003 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Complete Resonance Assignments of Bundlin (BfpA) from the Bundle- forming Pilus of Enteropathogenic Escherichia coli ; _BMRB_accession_number 6003 _BMRB_flat_file_name bmr6003.str _Entry_type original _Submission_date 2003-11-11 _Accession_date 2003-11-11 _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 Ramboarina Stephanie . . 2 Fernandes Paula . . 3 Simpson Peter J. . 4 Frankel Gad . . 5 Donnenberg Michael S. . 6 Matthews Steve J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 768 "13C chemical shifts" 610 "15N chemical shifts" 148 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-07-06 original author . stop_ _Original_release_date 2004-07-06 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: Complete Resonance Assignments of Bundlin (BfpA) from the Bundle-forming Pilus of Enteropathogenic Escherichia coli ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15213452 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ramboarina Stephanie . . 2 Fernandes Paula . . 3 Simpson Peter J. . 4 Frankel Gad . . 5 Donnenberg Michael S. . 6 Matthews Stephen J. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 29 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 427 _Page_last 428 _Year 2004 _Details . loop_ _Keyword BfpA EPEC NMR stop_ save_ ################################## # Molecular system description # ################################## save_system_BfpA _Saveframe_category molecular_system _Mol_system_name 'Bundlin forming pilus subunit' _Abbreviation_common BfpA _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'bfpA monomer' $BfpA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all disulfide bound' loop_ _Biological_function ; BfpA, the structural subunit of BFP filaments required for localized adherence and autoaggregation of EPEC. ; stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_BfpA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common bundlin _Abbreviation_common BfpA _Molecular_mass 18300 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 164 _Mol_residue_sequence ; HHHHHHMEQSASDSNKSQNA ISEVMSATSAINGLYIGQTS YSGLDSTILLNTSAIPDNYK DTTNKKITNPFGGELNVGPA NNNTAFGYYLTLTRLDKAAC VSLATLNLGTSAKGYGVNIS GENNITSFGNSADQAAKSTA ITPAEAATACKNTDSTNKVT YFMK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -6 HIS 2 -5 HIS 3 -4 HIS 4 -3 HIS 5 -2 HIS 6 -1 HIS 7 1 MET 8 2 GLU 9 3 GLN 10 4 SER 11 5 ALA 12 6 SER 13 7 ASP 14 8 SER 15 9 ASN 16 10 LYS 17 11 SER 18 12 GLN 19 13 ASN 20 14 ALA 21 15 ILE 22 16 SER 23 17 GLU 24 18 VAL 25 19 MET 26 20 SER 27 21 ALA 28 22 THR 29 23 SER 30 24 ALA 31 25 ILE 32 26 ASN 33 27 GLY 34 28 LEU 35 29 TYR 36 30 ILE 37 31 GLY 38 32 GLN 39 33 THR 40 34 SER 41 35 TYR 42 36 SER 43 37 GLY 44 38 LEU 45 39 ASP 46 40 SER 47 41 THR 48 42 ILE 49 43 LEU 50 44 LEU 51 45 ASN 52 46 THR 53 47 SER 54 48 ALA 55 49 ILE 56 50 PRO 57 51 ASP 58 52 ASN 59 53 TYR 60 54 LYS 61 55 ASP 62 56 THR 63 57 THR 64 58 ASN 65 59 LYS 66 60 LYS 67 61 ILE 68 62 THR 69 63 ASN 70 64 PRO 71 65 PHE 72 66 GLY 73 67 GLY 74 68 GLU 75 69 LEU 76 70 ASN 77 71 VAL 78 72 GLY 79 73 PRO 80 74 ALA 81 75 ASN 82 76 ASN 83 77 ASN 84 78 THR 85 79 ALA 86 80 PHE 87 81 GLY 88 82 TYR 89 83 TYR 90 84 LEU 91 85 THR 92 86 LEU 93 87 THR 94 88 ARG 95 89 LEU 96 90 ASP 97 91 LYS 98 92 ALA 99 93 ALA 100 94 CYS 101 95 VAL 102 96 SER 103 97 LEU 104 98 ALA 105 99 THR 106 100 LEU 107 101 ASN 108 102 LEU 109 103 GLY 110 104 THR 111 105 SER 112 106 ALA 113 107 LYS 114 108 GLY 115 109 TYR 116 110 GLY 117 111 VAL 118 112 ASN 119 113 ILE 120 114 SER 121 115 GLY 122 116 GLU 123 117 ASN 124 118 ASN 125 119 ILE 126 120 THR 127 121 SER 128 122 PHE 129 123 GLY 130 124 ASN 131 125 SER 132 126 ALA 133 127 ASP 134 128 GLN 135 129 ALA 136 130 ALA 137 131 LYS 138 132 SER 139 133 THR 140 134 ALA 141 135 ILE 142 136 THR 143 137 PRO 144 138 ALA 145 139 GLU 146 140 ALA 147 141 ALA 148 142 THR 149 143 ALA 150 144 CYS 151 145 LYS 152 146 ASN 153 147 THR 154 148 ASP 155 149 SER 156 150 THR 157 151 ASN 158 152 LYS 159 153 VAL 160 154 THR 161 155 TYR 162 156 PHE 163 157 MET 164 158 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-03-02 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 1ZWT "Structure Of The Globular Head Domain Of The Bundlin, Bfpa, Of The Bundle-Forming Pilus Of Enteropathogenic E.Coli" 96.34 158 100.00 100.00 1.04e-107 DBJ BAA84838 "Bundlin [Escherichia coli B171]" 95.12 193 99.36 99.36 6.06e-105 DBJ BAE98279 "bundlin-2a [Escherichia coli O127a:H6]" 95.12 193 100.00 100.00 6.90e-106 DBJ BAE98284 "bundlin-2a [Escherichia coli O55:H51]" 95.12 193 100.00 100.00 6.90e-106 DBJ BAE98287 "bundlin-2a [Escherichia coli O111:H2]" 95.12 193 99.36 99.36 6.06e-105 DBJ BAE98291 "bundlin-2a [Escherichia coli O142:H6]" 95.12 193 100.00 100.00 6.90e-106 EMBL CAA78167 "major structural subunit of bundle-forming pilus [Escherichia coli]" 95.12 193 100.00 100.00 6.90e-106 EMBL CAA92326 "prebundlin [Escherichia coli]" 95.12 193 100.00 100.00 6.90e-106 EMBL CAJ34994 "bundlin alpha-4 [Escherichia coli]" 95.12 193 98.72 98.72 1.95e-103 EMBL CAS07439 "major pilin structural unit bundlin [Escherichia coli O127:H6 str. E2348/69]" 95.12 193 100.00 100.00 6.90e-106 EMBL CAY54182 "alpha 5 bundlin [Escherichia coli]" 95.12 193 98.08 98.72 9.39e-103 GB AAC44040 "BfpA [Escherichia coli]" 95.12 193 99.36 99.36 6.06e-105 GB AAG16257 "bundlin alpha-2 [Escherichia coli]" 95.12 193 99.36 99.36 6.06e-105 GB AAG16261 "bundlin alpha-2 [Escherichia coli]" 95.12 193 99.36 99.36 6.06e-105 GB AAG16262 "bundlin alpha-1 [Escherichia coli]" 95.12 193 100.00 100.00 6.90e-106 GB AAG16265 "bundlin alpha-2 [Escherichia coli]" 95.12 193 99.36 99.36 6.06e-105 REF NP_053065 "Bundlin [Escherichia coli B171]" 95.12 193 99.36 99.36 6.06e-105 REF WP_000253757 "hypothetical protein [Escherichia coli]" 95.12 193 100.00 100.00 6.90e-106 REF WP_000253758 "hypothetical protein [Escherichia coli]" 95.12 193 99.36 99.36 6.06e-105 REF YP_001965379 "Major pilin structural unit bundlin [Escherichia coli]" 95.12 193 100.00 100.00 6.90e-106 REF YP_002332157 "major pilin structural unit bundlin [Escherichia coli O127:H6 str. E2348/69]" 95.12 193 100.00 100.00 6.90e-106 SP P33553 "RecName: Full=Major structural subunit of bundle-forming pilus; AltName: Full=Bundle-forming pilin; Short=BFP; Short=Bundlin; F" 95.12 193 100.00 100.00 6.90e-106 SP P58997 "RecName: Full=Major structural subunit of bundle-forming pilus; AltName: Full=Bundle-forming pilin; Short=Bundlin; Flags: Precu" 95.12 193 99.36 99.36 6.06e-105 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $BfpA 'E. coli' 562 Eubacteria . Escherichia coli stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $BfpA 'recombinant technology' 'E. coli' Escherichia coli . plasmid pET39b+ 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 $BfpA 1 mM '[U-95% 13C; U-95% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version 5.0.4 _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details 'Bruker DRX 500 equipped with triple resonance cryoprobe.' save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label . save_ save_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQC' _Sample_label . save_ save_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CO)NH _Sample_label . save_ save_H(C)CH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name H(C)CH-TOCSY _Sample_label . save_ save_(H)CC(CO)NH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name (H)CC(CO)NH-TOCSY _Sample_label . save_ save_15N_NOESY-HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '15N NOESY-HSQC' _Sample_label . save_ save_13C_NOESY-HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '13C NOESY-HSQC' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name H(C)CH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name (H)CC(CO)NH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name '15N NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name '13C NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.2 0.1 na temperature 303 2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio TSP H 1 'methyl protons' ppm 0.00 internal direct . internal parallel 1.000000000 TSP N 15 'methyl protons' ppm 0.00 internal indirect . internal parallel 0.101329118 TSP C 13 'methyl protons' ppm 0.00 internal indirect . internal parallel 0.251449530 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '1H-15N HSQC' '1H-13C HSQC' HNCACB CBCA(CO)NH HNCO HBHA(CO)NH H(C)CH-TOCSY (H)CC(CO)NH-TOCSY '15N NOESY-HSQC' '13C NOESY-HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'bfpA 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 3 9 GLN CA C 56.749 0.7 1 2 3 9 GLN HA H 3.796 0.02 1 3 3 9 GLN CB C 30.196 0.7 1 4 3 9 GLN C C 176.252 0.7 1 5 4 10 SER N N 117.176 0.05 1 6 4 10 SER H H 8.469 0.02 1 7 4 10 SER CA C 59.035 0.7 1 8 4 10 SER HA H 4.828 0.02 1 9 4 10 SER CB C 64.493 0.7 1 10 4 10 SER HB3 H 4.724 0.02 1 11 4 10 SER HB2 H 4.724 0.02 1 12 4 10 SER C C 174.705 0.7 1 13 5 11 ALA N N 125.909 0.05 1 14 5 11 ALA H H 8.436 0.02 1 15 5 11 ALA CA C 53.461 0.7 1 16 5 11 ALA HA H 4.440 0.02 1 17 5 11 ALA CB C 19.669 0.7 1 18 5 11 ALA HB H 1.445 0.02 1 19 5 11 ALA C C 178.359 0.7 1 20 6 12 SER N N 114.827 0.05 1 21 6 12 SER H H 8.311 0.02 1 22 6 12 SER CA C 59.500 0.7 1 23 6 12 SER HA H 4.447 0.02 1 24 6 12 SER CB C 64.377 0.7 1 25 6 12 SER HB3 H 4.280 0.02 1 26 6 12 SER HB2 H 4.280 0.02 1 27 6 12 SER C C 175.227 0.7 1 28 7 13 ASP N N 122.422 0.05 1 29 7 13 ASP H H 8.381 0.02 1 30 7 13 ASP CA C 56.132 0.7 1 31 7 13 ASP HA H 4.652 0.02 1 32 7 13 ASP CB C 41.617 0.7 1 33 7 13 ASP HB3 H 2.914 0.02 2 34 7 13 ASP HB2 H 2.771 0.02 2 35 7 13 ASP C C 177.520 0.7 1 36 8 14 SER N N 116.357 0.05 1 37 8 14 SER H H 8.346 0.02 1 38 8 14 SER CA C 60.429 0.7 1 39 8 14 SER HA H 4.429 0.02 1 40 8 14 SER CB C 63.913 0.7 1 41 8 14 SER HB3 H 3.962 0.02 1 42 8 14 SER HB2 H 3.962 0.02 1 43 8 14 SER C C 175.488 0.7 1 44 9 15 ASN N N 121.029 0.05 1 45 9 15 ASN H H 8.362 0.02 1 46 9 15 ASN CA C 55.203 0.7 1 47 9 15 ASN HA H 4.674 0.02 1 48 9 15 ASN CB C 39.051 0.7 1 49 9 15 ASN HB3 H 2.912 0.02 1 50 9 15 ASN HB2 H 2.912 0.02 1 51 9 15 ASN C C 176.607 0.7 1 52 10 16 LYS N N 120.772 0.05 1 53 10 16 LYS H H 8.178 0.02 1 54 10 16 LYS CA C 61.080 0.7 1 55 10 16 LYS HA H 3.826 0.02 1 56 10 16 LYS CB C 33.852 0.7 1 57 10 16 LYS HB3 H 1.680 0.02 2 58 10 16 LYS HB2 H 0.920 0.02 2 59 10 16 LYS CG C 27.065 0.7 1 60 10 16 LYS HG3 H 1.166 0.02 1 61 10 16 LYS HG2 H 1.166 0.02 1 62 10 16 LYS CD C 30.406 0.7 1 63 10 16 LYS HD3 H 1.550 0.02 1 64 10 16 LYS HD2 H 1.550 0.02 1 65 10 16 LYS CE C 43.025 0.7 1 66 10 16 LYS HE3 H 3.013 0.02 1 67 10 16 LYS HE2 H 3.013 0.02 1 68 10 16 LYS C C 178.620 0.7 1 69 11 17 SER N N 114.608 0.05 1 70 11 17 SER H H 8.390 0.02 1 71 11 17 SER CA C 61.242 0.7 1 72 11 17 SER HA H 4.068 0.02 1 73 11 17 SER CB C 63.100 0.7 1 74 11 17 SER HB3 H 4.035 0.02 1 75 11 17 SER HB2 H 4.035 0.02 1 76 11 17 SER C C 176.196 0.7 1 77 12 18 GLN N N 121.286 0.05 1 78 12 18 GLN H H 8.148 0.02 1 79 12 18 GLN CA C 59.694 0.7 1 80 12 18 GLN HA H 4.070 0.02 1 81 12 18 GLN CB C 28.611 0.7 1 82 12 18 GLN HB3 H 2.150 0.02 1 83 12 18 GLN HB2 H 2.150 0.02 1 84 12 18 GLN CG C 33.914 0.7 1 85 12 18 GLN HG3 H 2.468 0.02 1 86 12 18 GLN HG2 H 2.468 0.02 1 87 12 18 GLN C C 179.273 0.7 1 88 13 19 ASN N N 118.210 0.05 1 89 13 19 ASN H H 8.368 0.02 1 90 13 19 ASN CA C 56.248 0.7 1 91 13 19 ASN HA H 4.580 0.02 1 92 13 19 ASN CB C 38.133 0.7 1 93 13 19 ASN HB3 H 2.814 0.02 1 94 13 19 ASN HB2 H 2.814 0.02 1 95 13 19 ASN HD21 H 6.966 0.02 1 96 13 19 ASN HD22 H 6.966 0.02 1 97 13 19 ASN C C 177.875 0.7 1 98 14 20 ALA N N 125.396 0.05 1 99 14 20 ALA H H 8.619 0.02 1 100 14 20 ALA CA C 55.668 0.7 1 101 14 20 ALA HA H 4.011 0.02 1 102 14 20 ALA CB C 19.901 0.7 1 103 14 20 ALA HB H 1.662 0.02 1 104 14 20 ALA C C 178.210 0.7 1 105 15 21 ILE N N 120.770 0.05 1 106 15 21 ILE H H 8.449 0.02 1 107 15 21 ILE CA C 66.932 0.7 1 108 15 21 ILE HA H 3.481 0.02 1 109 15 21 ILE CB C 39.178 0.7 1 110 15 21 ILE HB H 1.973 0.02 1 111 15 21 ILE CG1 C 30.638 0.7 2 112 15 21 ILE HG13 H 1.745 0.02 1 113 15 21 ILE HG12 H 0.953 0.02 1 114 15 21 ILE CD1 C 17.426 0.7 1 115 15 21 ILE HD1 H 0.170 0.02 1 116 15 21 ILE CG2 C 13.897 0.7 1 117 15 21 ILE HG2 H 0.572 0.02 1 118 15 21 ILE C C 178.341 0.7 1 119 16 22 SER N N 114.094 0.05 1 120 16 22 SER H H 8.232 0.02 1 121 16 22 SER CA C 61.938 0.7 1 122 16 22 SER HA H 4.239 0.02 1 123 16 22 SER CB C 63.564 0.7 1 124 16 22 SER HB3 H 4.068 0.02 1 125 16 22 SER HB2 H 4.068 0.02 1 126 16 22 SER C C 176.849 0.7 1 127 17 23 GLU N N 123.341 0.05 1 128 17 23 GLU H H 8.160 0.02 1 129 17 23 GLU CA C 60.197 0.7 1 130 17 23 GLU HA H 4.011 0.02 1 131 17 23 GLU CB C 28.494 0.7 1 132 17 23 GLU HB3 H 2.144 0.02 2 133 17 23 GLU HB2 H 1.984 0.02 2 134 17 23 GLU CG C 32.297 0.7 1 135 17 23 GLU HG3 H 2.407 0.02 1 136 17 23 GLU HG2 H 2.407 0.02 1 137 17 23 GLU C C 177.856 0.7 1 138 18 24 VAL N N 119.745 0.05 1 139 18 24 VAL H H 8.225 0.02 1 140 18 24 VAL CA C 67.977 0.7 1 141 18 24 VAL HA H 3.405 0.02 1 142 18 24 VAL CB C 32.675 0.7 1 143 18 24 VAL HB H 2.174 0.02 1 144 18 24 VAL CG2 C 24.225 0.7 1 145 18 24 VAL HG2 H 0.874 0.02 1 146 18 24 VAL CG1 C 21.961 0.7 1 147 18 24 VAL HG1 H 0.874 0.02 1 148 18 24 VAL C C 179.273 0.7 1 149 19 25 MET N N 119.745 0.05 1 150 19 25 MET H H 8.543 0.02 1 151 19 25 MET CA C 58.803 0.7 1 152 19 25 MET HA H 4.068 0.02 1 153 19 25 MET CB C 31.281 0.7 1 154 19 25 MET HB3 H 2.193 0.02 1 155 19 25 MET HB2 H 2.193 0.02 1 156 19 25 MET CG C 31.961 0.7 1 157 19 25 MET HG3 H 2.761 0.02 2 158 19 25 MET HG2 H 2.642 0.02 2 159 19 25 MET C C 179.254 0.7 1 160 20 26 SER N N 117.176 0.05 1 161 20 26 SER H H 8.807 0.02 1 162 20 26 SER CA C 62.519 0.7 1 163 20 26 SER HA H 4.182 0.02 1 164 20 26 SER CB C 64.029 0.7 1 165 20 26 SER HB3 H 4.011 0.02 1 166 20 26 SER HB2 H 4.011 0.02 1 167 20 26 SER C C 176.513 0.7 1 168 21 27 ALA N N 123.855 0.05 1 169 21 27 ALA H H 8.681 0.02 1 170 21 27 ALA CA C 56.364 0.7 1 171 21 27 ALA HA H 3.973 0.02 1 172 21 27 ALA CB C 19.669 0.7 1 173 21 27 ALA HB H 1.435 0.02 1 174 21 27 ALA C C 179.049 0.7 1 175 22 28 THR N N 107.415 0.05 1 176 22 28 THR H H 8.385 0.02 1 177 22 28 THR CA C 65.074 0.7 1 178 22 28 THR HA H 4.352 0.02 1 179 22 28 THR CB C 69.951 0.7 1 180 22 28 THR HB H 4.125 0.02 1 181 22 28 THR CG2 C 22.309 0.7 1 182 22 28 THR HG2 H 1.394 0.02 1 183 22 28 THR C C 177.520 0.7 1 184 23 29 SER N N 117.176 0.05 1 185 23 29 SER H H 7.797 0.02 1 186 23 29 SER CA C 61.938 0.7 1 187 23 29 SER HA H 4.220 0.02 1 188 23 29 SER CB C 63.564 0.7 1 189 23 29 SER HB3 H 4.070 0.02 1 190 23 29 SER HB2 H 4.070 0.02 1 191 23 29 SER C C 177.837 0.7 1 192 24 30 ALA N N 123.855 0.05 1 193 24 30 ALA H H 8.090 0.02 1 194 24 30 ALA CA C 55.552 0.7 1 195 24 30 ALA HA H 4.201 0.02 1 196 24 30 ALA CB C 18.972 0.7 1 197 24 30 ALA HB H 1.454 0.02 1 198 24 30 ALA C C 180.578 0.7 1 199 25 31 ILE N N 119.745 0.05 1 200 25 31 ILE H H 8.364 0.02 1 201 25 31 ILE CA C 66.932 0.7 1 202 25 31 ILE HA H 3.481 0.02 1 203 25 31 ILE CB C 38.946 0.7 1 204 25 31 ILE HB H 1.748 0.02 1 205 25 31 ILE CG1 C 30.373 0.7 2 206 25 31 ILE HG13 H 1.572 0.02 1 207 25 31 ILE HG12 H 1.572 0.02 1 208 25 31 ILE CD1 C 15.554 0.7 1 209 25 31 ILE HD1 H 0.156 0.02 1 210 25 31 ILE CG2 C 18.465 0.7 1 211 25 31 ILE HG2 H 0.606 0.02 1 212 25 31 ILE C C 177.725 0.7 1 213 26 32 ASN N N 117.700 0.05 1 214 26 32 ASN H H 8.620 0.02 1 215 26 32 ASN CA C 57.293 0.7 1 216 26 32 ASN HA H 4.617 0.02 1 217 26 32 ASN CB C 38.946 0.7 1 218 26 32 ASN HB3 H 3.119 0.02 2 219 26 32 ASN HB2 H 2.935 0.02 2 220 26 32 ASN C C 178.770 0.7 1 221 27 33 GLY N N 103.305 0.05 1 222 27 33 GLY H H 7.850 0.02 1 223 27 33 GLY CA C 47.307 0.7 1 224 27 33 GLY HA3 H 3.954 0.02 1 225 27 33 GLY HA2 H 3.954 0.02 1 226 27 33 GLY C C 176.029 0.7 1 227 28 34 LEU N N 121.800 0.05 1 228 28 34 LEU H H 7.952 0.02 1 229 28 34 LEU CA C 57.526 0.7 1 230 28 34 LEU HA H 4.180 0.02 1 231 28 34 LEU CB C 44.171 0.7 1 232 28 34 LEU HB3 H 1.910 0.02 2 233 28 34 LEU HB2 H 1.325 0.02 2 234 28 34 LEU CG C 27.259 0.7 1 235 28 34 LEU HG H 1.630 0.02 1 236 28 34 LEU CD1 C 25.029 0.7 1 237 28 34 LEU HD1 H 0.810 0.02 2 238 28 34 LEU CD2 C 23.812 0.7 1 239 28 34 LEU HD2 H 0.805 0.02 2 240 28 34 LEU C C 178.602 0.7 1 241 29 35 TYR N N 115.635 0.05 1 242 29 35 TYR H H 7.668 0.02 1 243 29 35 TYR CA C 59.732 0.7 1 244 29 35 TYR HA H 4.240 0.02 1 245 29 35 TYR CB C 39.294 0.7 1 246 29 35 TYR HB3 H 2.875 0.02 2 247 29 35 TYR HB2 H 2.660 0.02 2 248 29 35 TYR CD1 C 134.371 0.7 1 249 29 35 TYR HD1 H 7.330 0.02 1 250 29 35 TYR CE1 C 118.135 0.7 1 251 29 35 TYR HE1 H 6.705 0.02 1 252 29 35 TYR CE2 C 118.135 0.7 1 253 29 35 TYR HE2 H 6.705 0.02 1 254 29 35 TYR CD2 C 134.371 0.7 1 255 29 35 TYR HD2 H 7.330 0.02 1 256 29 35 TYR C C 175.395 0.7 1 257 30 36 ILE N N 121.800 0.05 1 258 30 36 ILE H H 7.123 0.02 1 259 30 36 ILE CA C 63.448 0.7 1 260 30 36 ILE HA H 4.049 0.02 1 261 30 36 ILE CB C 38.478 0.7 1 262 30 36 ILE HB H 1.984 0.02 1 263 30 36 ILE CG1 C 28.170 0.7 2 264 30 36 ILE HG13 H 1.716 0.02 1 265 30 36 ILE HG12 H 1.716 0.02 1 266 30 36 ILE CD1 C 13.929 0.7 1 267 30 36 ILE HD1 H 0.957 0.02 1 268 30 36 ILE CG2 C 16.896 0.7 1 269 30 36 ILE HG2 H 1.318 0.02 1 270 30 36 ILE C C 177.306 0.7 1 271 31 37 GLY N N 114.608 0.05 1 272 31 37 GLY H H 8.922 0.02 1 273 31 37 GLY CA C 45.681 0.7 1 274 31 37 GLY HA3 H 4.106 0.02 2 275 31 37 GLY HA2 H 3.803 0.02 2 276 31 37 GLY C C 177.297 0.7 1 277 32 38 GLN N N 118.520 0.05 1 278 32 38 GLN H H 8.045 0.02 1 279 32 38 GLN CA C 55.203 0.7 1 280 32 38 GLN HA H 4.674 0.02 1 281 32 38 GLN CB C 30.469 0.7 1 282 32 38 GLN HB3 H 2.300 0.02 2 283 32 38 GLN HB2 H 2.201 0.02 2 284 32 38 GLN CG C 33.957 0.7 1 285 32 38 GLN HG3 H 2.505 0.02 1 286 32 38 GLN HG2 H 2.505 0.02 1 287 32 38 GLN C C 176.998 0.7 1 288 33 39 THR N N 111.490 0.05 1 289 33 39 THR H H 8.805 0.02 1 290 33 39 THR CA C 62.894 0.7 1 291 33 39 THR HA H 4.455 0.02 1 292 33 39 THR CB C 69.551 0.7 1 293 33 39 THR HB H 4.314 0.02 1 294 33 39 THR CG2 C 21.397 0.7 1 295 33 39 THR HG2 H 1.227 0.02 1 296 33 39 THR C C 174.088 0.7 1 297 34 40 SER N N 114.094 0.05 1 298 34 40 SER H H 7.665 0.02 1 299 34 40 SER CA C 57.990 0.7 1 300 34 40 SER HA H 4.674 0.02 1 301 34 40 SER CB C 65.771 0.7 1 302 34 40 SER HB3 H 3.973 0.02 1 303 34 40 SER HB2 H 3.973 0.02 1 304 34 40 SER C C 173.297 0.7 1 305 35 41 TYR N N 119.231 0.05 1 306 35 41 TYR H H 8.860 0.02 1 307 35 41 TYR CA C 58.106 0.7 1 308 35 41 TYR HA H 4.276 0.02 1 309 35 41 TYR CB C 37.320 0.7 1 310 35 41 TYR HB3 H 2.682 0.02 2 311 35 41 TYR HB2 H 2.393 0.02 2 312 35 41 TYR CD1 C 133.218 0.7 1 313 35 41 TYR HD1 H 6.182 0.02 1 314 35 41 TYR CE1 C 120.442 0.7 1 315 35 41 TYR HE1 H 6.842 0.02 1 316 35 41 TYR CE2 C 120.442 0.7 1 317 35 41 TYR HE2 H 6.842 0.02 1 318 35 41 TYR CD2 C 133.218 0.7 1 319 35 41 TYR HD2 H 6.182 0.02 1 320 35 41 TYR C C 174.357 0.7 1 321 36 42 SER N N 113.066 0.05 1 322 36 42 SER H H 7.757 0.02 1 323 36 42 SER CA C 61.126 0.7 1 324 36 42 SER HA H 4.049 0.02 1 325 36 42 SER CB C 63.448 0.7 1 326 36 42 SER HB3 H 3.860 0.02 1 327 36 42 SER HB2 H 3.860 0.02 1 328 36 42 SER C C 176.439 0.7 1 329 37 43 GLY N N 115.635 0.05 1 330 37 43 GLY H H 9.025 0.02 1 331 37 43 GLY CA C 45.449 0.7 1 332 37 43 GLY HA3 H 4.295 0.02 2 333 37 43 GLY HA2 H 3.689 0.02 2 334 37 43 GLY C C 173.991 0.7 1 335 38 44 LEU N N 121.800 0.05 1 336 38 44 LEU H H 7.810 0.02 1 337 38 44 LEU CA C 57.758 0.7 1 338 38 44 LEU HA H 4.125 0.02 1 339 38 44 LEU CB C 43.475 0.7 1 340 38 44 LEU HB3 H 1.490 0.02 1 341 38 44 LEU HB2 H 1.490 0.02 1 342 38 44 LEU CG C 27.575 0.7 1 343 38 44 LEU HG H 0.960 0.02 1 344 38 44 LEU CD1 C 23.257 0.7 1 345 38 44 LEU HD1 H 0.777 0.02 2 346 38 44 LEU CD2 C 28.610 0.7 1 347 38 44 LEU HD2 H 0.172 0.02 2 348 38 44 LEU C C 175.013 0.7 1 349 39 45 ASP N N 124.368 0.05 1 350 39 45 ASP H H 7.462 0.02 1 351 39 45 ASP CA C 53.694 0.7 1 352 39 45 ASP HA H 4.693 0.02 1 353 39 45 ASP CB C 42.778 0.7 1 354 39 45 ASP HB3 H 3.272 0.02 2 355 39 45 ASP HB2 H 3.007 0.02 2 356 39 45 ASP C C 176.150 0.7 1 357 40 46 SER N N 112.552 0.05 1 358 40 46 SER H H 8.911 0.02 1 359 40 46 SER CA C 62.519 0.7 1 360 40 46 SER HA H 4.068 0.02 1 361 40 46 SER CB C 64.029 0.7 1 362 40 46 SER HB3 H 3.860 0.02 1 363 40 46 SER HB2 H 3.860 0.02 1 364 40 46 SER C C 175.938 0.7 1 365 41 47 THR N N 115.635 0.05 1 366 41 47 THR H H 8.605 0.02 1 367 41 47 THR CA C 66.700 0.7 1 368 41 47 THR HA H 4.295 0.02 1 369 41 47 THR CB C 69.022 0.7 1 370 41 47 THR HB H 3.860 0.02 1 371 41 47 THR CG2 C 22.800 0.7 1 372 41 47 THR HG2 H 1.306 0.02 1 373 41 47 THR C C 177.037 0.7 1 374 42 48 ILE N N 120.772 0.05 1 375 42 48 ILE H H 7.569 0.02 1 376 42 48 ILE CA C 62.867 0.7 1 377 42 48 ILE HA H 3.992 0.02 1 378 42 48 ILE CB C 37.784 0.7 1 379 42 48 ILE HB H 2.215 0.02 1 380 42 48 ILE CG1 C 28.713 0.7 2 381 42 48 ILE HG13 H 1.693 0.02 1 382 42 48 ILE HG12 H 1.693 0.02 1 383 42 48 ILE CD1 C 12.446 0.7 1 384 42 48 ILE HD1 H 0.935 0.02 1 385 42 48 ILE CG2 C 17.652 0.7 1 386 42 48 ILE HG2 H 1.320 0.02 1 387 42 48 ILE C C 178.251 0.7 1 388 43 49 LEU N N 117.176 0.05 1 389 43 49 LEU H H 7.009 0.02 1 390 43 49 LEU CA C 56.406 0.7 1 391 43 49 LEU HA H 4.242 0.02 1 392 43 49 LEU CB C 42.585 0.7 1 393 43 49 LEU HB3 H 1.998 0.02 2 394 43 49 LEU HB2 H 1.419 0.02 2 395 43 49 LEU CG C 27.713 0.7 1 396 43 49 LEU HG H 1.620 0.02 1 397 43 49 LEU CD1 C 23.300 0.7 1 398 43 49 LEU HD1 H 0.910 0.02 2 399 43 49 LEU CD2 C 23.250 0.7 1 400 43 49 LEU HD2 H 0.822 0.02 2 401 43 49 LEU C C 178.752 0.7 1 402 44 50 LEU N N 118.717 0.05 1 403 44 50 LEU H H 8.040 0.02 1 404 44 50 LEU CA C 58.339 0.7 1 405 44 50 LEU HA H 3.820 0.02 1 406 44 50 LEU CB C 42.546 0.7 1 407 44 50 LEU HB3 H 1.908 0.02 2 408 44 50 LEU HB2 H 1.504 0.02 2 409 44 50 LEU CG C 25.786 0.7 1 410 44 50 LEU HG H 1.620 0.02 1 411 44 50 LEU CD1 C 23.701 0.7 1 412 44 50 LEU HD1 H 0.775 0.02 1 413 44 50 LEU CD2 C 23.701 0.7 1 414 44 50 LEU HD2 H 0.775 0.02 1 415 44 50 LEU C C 178.733 0.7 1 416 45 51 ASN N N 114.608 0.05 1 417 45 51 ASN H H 7.358 0.02 1 418 45 51 ASN CA C 53.577 0.7 1 419 45 51 ASN HA H 4.940 0.02 1 420 45 51 ASN CB C 39.875 0.7 1 421 45 51 ASN HB3 H 3.064 0.02 2 422 45 51 ASN HB2 H 2.742 0.02 2 423 45 51 ASN C C 175.051 0.7 1 424 46 52 THR N N 111.525 0.05 1 425 46 52 THR H H 7.227 0.02 1 426 46 52 THR CA C 61.242 0.7 1 427 46 52 THR HA H 4.810 0.02 1 428 46 52 THR CB C 70.880 0.7 1 429 46 52 THR HB H 4.360 0.02 1 430 46 52 THR CG2 C 21.711 0.7 1 431 46 52 THR HG2 H 1.370 0.02 1 432 46 52 THR C C 175.040 0.7 1 433 47 53 SER N N 122.313 0.05 1 434 47 53 SER H H 8.881 0.02 1 435 47 53 SER CA C 59.732 0.7 1 436 47 53 SER HA H 4.550 0.02 1 437 47 53 SER CB C 63.796 0.7 1 438 47 53 SER HB3 H 3.983 0.02 1 439 47 53 SER HB2 H 3.983 0.02 1 440 47 53 SER C C 174.781 0.7 1 441 48 54 ALA N N 122.827 0.05 1 442 48 54 ALA H H 8.037 0.02 1 443 48 54 ALA CA C 54.158 0.7 1 444 48 54 ALA HA H 4.125 0.02 1 445 48 54 ALA CB C 20.598 0.7 1 446 48 54 ALA HB H 1.378 0.02 1 447 48 54 ALA C C 177.345 0.7 1 448 49 55 ILE N N 115.635 0.05 1 449 49 55 ILE H H 6.927 0.02 1 450 49 55 ILE CA C 55.923 0.7 1 451 49 55 ILE HA H 4.670 0.02 1 452 49 55 ILE CB C 38.851 0.7 1 453 49 55 ILE HB H 1.998 0.02 1 454 49 55 ILE HG13 H 1.402 0.02 1 455 49 55 ILE HG12 H 1.402 0.02 1 456 49 55 ILE HD1 H 1.100 0.02 1 457 49 55 ILE HG2 H 1.244 0.02 1 458 50 56 PRO CA C 63.680 0.7 1 459 50 56 PRO HA H 4.390 0.02 1 460 50 56 PRO CB C 33.372 0.7 1 461 50 56 PRO HB3 H 2.350 0.02 2 462 50 56 PRO HB2 H 1.814 0.02 2 463 50 56 PRO CG C 27.787 0.7 1 464 50 56 PRO HG3 H 2.106 0.02 2 465 50 56 PRO HG2 H 2.046 0.02 2 466 50 56 PRO CD C 52.087 0.7 1 467 50 56 PRO HD3 H 3.698 0.02 1 468 50 56 PRO HD2 H 3.698 0.02 1 469 50 56 PRO C C 177.390 0.7 1 470 51 57 ASP N N 121.286 0.05 1 471 51 57 ASP H H 8.647 0.02 1 472 51 57 ASP CA C 58.339 0.7 1 473 51 57 ASP HA H 4.144 0.02 1 474 51 57 ASP CB C 41.152 0.7 1 475 51 57 ASP HB3 H 2.647 0.02 1 476 51 57 ASP HB2 H 2.647 0.02 1 477 51 57 ASP C C 178.024 0.7 1 478 52 58 ASN N N 113.066 0.05 1 479 52 58 ASN H H 8.305 0.02 1 480 52 58 ASN CA C 55.668 0.7 1 481 52 58 ASN HA H 4.371 0.02 1 482 52 58 ASN CB C 37.204 0.7 1 483 52 58 ASN HB3 H 2.344 0.02 1 484 52 58 ASN HB2 H 2.344 0.02 1 485 52 58 ASN C C 175.581 0.7 1 486 53 59 TYR N N 117.176 0.05 1 487 53 59 TYR H H 7.409 0.02 1 488 53 59 TYR CA C 56.364 0.7 1 489 53 59 TYR HA H 4.945 0.02 1 490 53 59 TYR CB C 38.713 0.7 1 491 53 59 TYR HB3 H 3.805 0.02 2 492 53 59 TYR HB2 H 2.410 0.02 2 493 53 59 TYR CD1 C 132.618 0.7 1 494 53 59 TYR HD1 H 6.838 0.02 1 495 53 59 TYR CE1 C 117.351 0.7 1 496 53 59 TYR HE1 H 6.546 0.02 1 497 53 59 TYR CE2 C 117.351 0.7 1 498 53 59 TYR HE2 H 6.546 0.02 1 499 53 59 TYR CD2 C 132.618 0.7 1 500 53 59 TYR HD2 H 6.838 0.02 1 501 53 59 TYR C C 174.500 0.7 1 502 54 60 LYS N N 117.690 0.05 1 503 54 60 LYS H H 7.468 0.02 1 504 54 60 LYS CA C 56.945 0.7 1 505 54 60 LYS HA H 4.410 0.02 1 506 54 60 LYS CB C 34.649 0.7 1 507 54 60 LYS HB3 H 2.160 0.02 2 508 54 60 LYS HB2 H 1.511 0.02 2 509 54 60 LYS CG C 25.943 0.7 1 510 54 60 LYS HG3 H 2.070 0.02 2 511 54 60 LYS HG2 H 1.870 0.02 2 512 54 60 LYS CD C 30.353 0.7 1 513 54 60 LYS HD3 H 1.696 0.02 1 514 54 60 LYS HD2 H 1.696 0.02 1 515 54 60 LYS CE C 42.942 0.7 1 516 54 60 LYS HE3 H 3.195 0.02 1 517 54 60 LYS HE2 H 3.195 0.02 1 518 54 60 LYS C C 174.928 0.7 1 519 55 61 ASP N N 124.368 0.05 1 520 55 61 ASP H H 8.651 0.02 1 521 55 61 ASP CA C 52.300 0.7 1 522 55 61 ASP HA H 4.996 0.02 1 523 55 61 ASP CB C 40.920 0.7 1 524 55 61 ASP HB3 H 3.050 0.02 2 525 55 61 ASP HB2 H 2.500 0.02 2 526 55 61 ASP C C 177.539 0.7 1 527 56 62 THR N N 115.121 0.05 1 528 56 62 THR H H 8.470 0.02 1 529 56 62 THR CA C 64.842 0.7 1 530 56 62 THR HA H 4.409 0.02 1 531 56 62 THR CB C 68.906 0.7 1 532 56 62 THR HB H 4.352 0.02 1 533 56 62 THR CG2 C 22.282 0.7 1 534 56 62 THR HG2 H 1.313 0.02 1 535 56 62 THR C C 176.513 0.7 1 536 57 63 THR N N 120.772 0.05 1 537 57 63 THR H H 8.340 0.02 1 538 57 63 THR CA C 67.994 0.7 1 539 57 63 THR HA H 4.171 0.02 1 540 57 63 THR CB C 69.022 0.7 1 541 57 63 THR HB H 4.070 0.02 1 542 57 63 THR CG2 C 22.082 0.7 1 543 57 63 THR HG2 H 1.180 0.02 1 544 57 63 THR C C 175.245 0.7 1 545 58 64 ASN N N 116.662 0.05 1 546 58 64 ASN H H 8.068 0.02 1 547 58 64 ASN CA C 53.577 0.7 1 548 58 64 ASN HA H 4.731 0.02 1 549 58 64 ASN CB C 39.526 0.7 1 550 58 64 ASN HB3 H 2.784 0.02 2 551 58 64 ASN HB2 H 2.477 0.02 2 552 58 64 ASN C C 173.530 0.7 1 553 59 65 LYS N N 117.176 0.05 1 554 59 65 LYS H H 7.670 0.02 1 555 59 65 LYS CA C 57.758 0.7 1 556 59 65 LYS HA H 3.727 0.02 1 557 59 65 LYS CB C 29.191 0.7 1 558 59 65 LYS HB3 H 2.174 0.02 2 559 59 65 LYS HB2 H 1.618 0.02 2 560 59 65 LYS HG3 H 1.323 0.02 1 561 59 65 LYS HG2 H 1.323 0.02 1 562 59 65 LYS CD C 25.003 0.7 1 563 59 65 LYS HD3 H 1.244 0.02 1 564 59 65 LYS HD2 H 1.244 0.02 1 565 59 65 LYS CE C 42.571 0.7 1 566 59 65 LYS HE3 H 3.005 0.02 1 567 59 65 LYS HE2 H 3.005 0.02 1 568 59 65 LYS C C 174.033 0.7 1 569 60 66 LYS N N 116.662 0.05 1 570 60 66 LYS H H 8.254 0.02 1 571 60 66 LYS CA C 54.739 0.7 1 572 60 66 LYS HA H 5.347 0.02 1 573 60 66 LYS CB C 37.668 0.7 1 574 60 66 LYS HB3 H 1.741 0.02 1 575 60 66 LYS HB2 H 1.741 0.02 1 576 60 66 LYS CG C 24.921 0.7 1 577 60 66 LYS HG3 H 1.669 0.02 1 578 60 66 LYS HG2 H 1.669 0.02 1 579 60 66 LYS CD C 30.035 0.7 1 580 60 66 LYS HD3 H 0.807 0.02 2 581 60 66 LYS HD2 H 0.545 0.02 2 582 60 66 LYS CE C 42.654 0.7 1 583 60 66 LYS HE3 H 3.490 0.02 1 584 60 66 LYS HE2 H 3.490 0.02 1 585 60 66 LYS C C 174.835 0.7 1 586 61 67 ILE N N 121.286 0.05 1 587 61 67 ILE H H 8.177 0.02 1 588 61 67 ILE CA C 62.171 0.7 1 589 61 67 ILE HA H 4.593 0.02 1 590 61 67 ILE CB C 36.623 0.7 1 591 61 67 ILE HB H 1.518 0.02 1 592 61 67 ILE CG1 C 23.787 0.7 2 593 61 67 ILE HG13 H 1.122 0.02 1 594 61 67 ILE HG12 H 1.122 0.02 1 595 61 67 ILE CD1 C 21.196 0.7 1 596 61 67 ILE HD1 H 0.542 0.02 1 597 61 67 ILE CG2 C 23.787 0.7 1 598 61 67 ILE HG2 H 0.905 0.02 1 599 61 67 ILE C C 173.344 0.7 1 600 62 68 THR N N 121.800 0.05 1 601 62 68 THR H H 8.809 0.02 1 602 62 68 THR CA C 62.171 0.7 1 603 62 68 THR HA H 5.118 0.02 1 604 62 68 THR CB C 72.506 0.7 1 605 62 68 THR HB H 3.007 0.02 1 606 62 68 THR CG2 C 23.560 0.7 1 607 62 68 THR HG2 H 0.014 0.02 1 608 62 68 THR C C 171.218 0.7 1 609 63 69 ASN N N 125.396 0.05 1 610 63 69 ASN H H 9.044 0.02 1 611 63 69 ASN CA C 56.132 0.7 1 612 63 69 ASN HA H 5.497 0.02 1 613 63 69 ASN CB C 40.455 0.7 1 614 63 69 ASN HB3 H 2.850 0.02 2 615 63 69 ASN HB2 H 2.599 0.02 2 616 64 70 PRO CA C 65.190 0.7 1 617 64 70 PRO HA H 4.371 0.02 1 618 64 70 PRO CB C 33.256 0.7 1 619 64 70 PRO HB3 H 2.512 0.02 2 620 64 70 PRO HB2 H 1.014 0.02 2 621 64 70 PRO CG C 27.270 0.7 1 622 64 70 PRO HG3 H 1.401 0.02 2 623 64 70 PRO HG2 H 1.625 0.02 2 624 64 70 PRO CD C 50.450 0.7 1 625 64 70 PRO HD3 H 3.030 0.02 1 626 64 70 PRO HD2 H 3.030 0.02 1 627 64 70 PRO C C 175.749 0.7 1 628 65 71 PHE N N 113.066 0.05 1 629 65 71 PHE H H 8.061 0.02 1 630 65 71 PHE CA C 58.106 0.7 1 631 65 71 PHE HA H 4.617 0.02 1 632 65 71 PHE CB C 38.946 0.7 1 633 65 71 PHE HB3 H 3.740 0.02 2 634 65 71 PHE HB2 H 2.791 0.02 2 635 65 71 PHE CD1 C 132.249 0.7 1 636 65 71 PHE HD1 H 7.083 0.02 1 637 65 71 PHE CE1 C 132.111 0.7 1 638 65 71 PHE HE1 H 7.163 0.02 1 639 65 71 PHE CE2 C 132.111 0.7 1 640 65 71 PHE HE2 H 7.163 0.02 1 641 65 71 PHE CD2 C 132.249 0.7 1 642 65 71 PHE HD2 H 7.083 0.02 1 643 65 71 PHE C C 175.898 0.7 1 644 66 72 GLY N N 106.901 0.05 1 645 66 72 GLY H H 8.120 0.02 1 646 66 72 GLY CA C 45.216 0.7 1 647 66 72 GLY HA3 H 4.523 0.02 2 648 66 72 GLY HA2 H 3.917 0.02 2 649 66 72 GLY C C 174.854 0.7 1 650 67 73 GLY N N 106.388 0.05 1 651 67 73 GLY H H 7.242 0.02 1 652 67 73 GLY CA C 44.404 0.7 1 653 67 73 GLY HA3 H 4.433 0.02 2 654 67 73 GLY HA2 H 3.917 0.02 2 655 67 73 GLY C C 172.747 0.7 1 656 68 74 GLU N N 117.176 0.05 1 657 68 74 GLU H H 8.227 0.02 1 658 68 74 GLU CA C 55.900 0.7 1 659 68 74 GLU HA H 4.921 0.02 1 660 68 74 GLU CB C 33.372 0.7 1 661 68 74 GLU HB3 H 2.080 0.02 2 662 68 74 GLU HB2 H 1.980 0.02 2 663 68 74 GLU HG3 H 2.426 0.02 2 664 68 74 GLU HG2 H 2.317 0.02 2 665 68 74 GLU C C 176.495 0.7 1 666 69 75 LEU N N 126.937 0.05 1 667 69 75 LEU H H 8.261 0.02 1 668 69 75 LEU CA C 55.900 0.7 1 669 69 75 LEU HA H 5.243 0.02 1 670 69 75 LEU CB C 44.404 0.7 1 671 69 75 LEU HB3 H 1.624 0.02 2 672 69 75 LEU HB2 H 0.980 0.02 2 673 69 75 LEU CG C 28.138 0.7 1 674 69 75 LEU HG H 1.479 0.02 1 675 69 75 LEU CD1 C 25.844 0.7 1 676 69 75 LEU HD1 H 0.703 0.02 2 677 69 75 LEU CD2 C 25.844 0.7 1 678 69 75 LEU HD2 H 0.617 0.02 2 679 69 75 LEU C C 174.537 0.7 1 680 70 76 ASN N N 124.882 0.05 1 681 70 76 ASN H H 9.525 0.02 1 682 70 76 ASN CA C 52.068 0.7 1 683 70 76 ASN HA H 5.370 0.02 1 684 70 76 ASN CB C 42.546 0.7 1 685 70 76 ASN HB3 H 3.026 0.02 2 686 70 76 ASN HB2 H 2.590 0.02 2 687 70 76 ASN C C 174.127 0.7 1 688 71 77 VAL N N 113.580 0.05 1 689 71 77 VAL H H 8.183 0.02 1 690 71 77 VAL CA C 58.339 0.7 1 691 71 77 VAL HA H 5.252 0.02 1 692 71 77 VAL CB C 36.855 0.7 1 693 71 77 VAL HB H 1.757 0.02 1 694 71 77 VAL CG2 C 22.800 0.7 1 695 71 77 VAL HG2 H 0.808 0.02 2 696 71 77 VAL CG1 C 19.770 0.7 1 697 71 77 VAL HG1 H 0.549 0.02 2 698 71 77 VAL C C 174.779 0.7 1 699 72 78 GLY N N 105.874 0.05 1 700 72 78 GLY H H 6.654 0.02 1 701 72 78 GLY CA C 45.100 0.7 1 702 72 78 GLY HA3 H 4.076 0.02 2 703 72 78 GLY HA2 H 3.805 0.02 2 704 73 79 PRO CA C 62.287 0.7 1 705 73 79 PRO HA H 4.868 0.02 1 706 73 79 PRO CB C 32.327 0.7 1 707 73 79 PRO HB3 H 2.174 0.02 1 708 73 79 PRO HB2 H 2.174 0.02 1 709 73 79 PRO CG C 26.748 0.7 1 710 73 79 PRO HG3 H 3.742 0.02 1 711 73 79 PRO HG2 H 3.742 0.02 1 712 73 79 PRO CD C 48.920 0.7 1 713 73 79 PRO HD3 H 4.059 0.02 1 714 73 79 PRO HD2 H 4.059 0.02 1 715 73 79 PRO C C 176.886 0.7 1 716 74 80 ALA N N 121.286 0.05 1 717 74 80 ALA H H 6.986 0.02 1 718 74 80 ALA CA C 53.926 0.7 1 719 74 80 ALA HA H 3.841 0.02 1 720 74 80 ALA CB C 19.901 0.7 1 721 74 80 ALA HB H 0.150 0.02 1 722 74 80 ALA C C 178.714 0.7 1 723 75 81 ASN N N 119.231 0.05 1 724 75 81 ASN H H 8.520 0.02 1 725 75 81 ASN CA C 55.552 0.7 1 726 75 81 ASN HA H 4.602 0.02 1 727 75 81 ASN CB C 39.062 0.7 1 728 75 81 ASN HB3 H 2.754 0.02 1 729 75 81 ASN HB2 H 2.754 0.02 1 730 75 81 ASN C C 175.283 0.7 1 731 76 82 ASN N N 116.662 0.05 1 732 76 82 ASN H H 7.822 0.02 1 733 76 82 ASN CA C 52.532 0.7 1 734 76 82 ASN HA H 4.867 0.02 1 735 76 82 ASN CB C 39.410 0.7 1 736 76 82 ASN HB3 H 2.802 0.02 2 737 76 82 ASN HB2 H 2.704 0.02 2 738 76 82 ASN C C 174.779 0.7 1 739 77 83 ASN N N 120.772 0.05 1 740 77 83 ASN H H 8.616 0.02 1 741 77 83 ASN CA C 55.668 0.7 1 742 77 83 ASN HA H 4.773 0.02 1 743 77 83 ASN CB C 39.178 0.7 1 744 77 83 ASN HB3 H 3.121 0.02 2 745 77 83 ASN HB2 H 2.856 0.02 2 746 77 83 ASN C C 175.730 0.7 1 747 78 84 THR N N 109.984 0.05 1 748 78 84 THR H H 8.112 0.02 1 749 78 84 THR CA C 63.332 0.7 1 750 78 84 THR HA H 4.371 0.02 1 751 78 84 THR CB C 69.719 0.7 1 752 78 84 THR HB H 3.974 0.02 1 753 78 84 THR CG2 C 21.457 0.7 1 754 78 84 THR HG2 H 1.285 0.02 1 755 78 84 THR C C 175.488 0.7 1 756 79 85 ALA N N 125.396 0.05 1 757 79 85 ALA H H 8.165 0.02 1 758 79 85 ALA CA C 55.203 0.7 1 759 79 85 ALA HA H 4.409 0.02 1 760 79 85 ALA CB C 21.179 0.7 1 761 79 85 ALA HB H 1.681 0.02 1 762 79 85 ALA C C 177.091 0.7 1 763 80 86 PHE N N 108.665 0.05 1 764 80 86 PHE H H 7.333 0.02 1 765 80 86 PHE CA C 56.481 0.7 1 766 80 86 PHE HA H 4.550 0.02 1 767 80 86 PHE CB C 37.975 0.7 1 768 80 86 PHE HB3 H 3.540 0.02 2 769 80 86 PHE HB2 H 2.756 0.02 2 770 80 86 PHE CD1 C 128.605 0.7 1 771 80 86 PHE HD1 H 6.129 0.02 1 772 80 86 PHE CE1 C 130.220 0.7 1 773 80 86 PHE HE1 H 6.345 0.02 1 774 80 86 PHE CE2 C 130.220 0.7 1 775 80 86 PHE HE2 H 6.345 0.02 1 776 80 86 PHE CD2 C 128.605 0.7 1 777 80 86 PHE HD2 H 6.129 0.02 1 778 80 86 PHE C C 170.286 0.7 1 779 81 87 GLY N N 106.901 0.05 1 780 81 87 GLY H H 8.779 0.02 1 781 81 87 GLY CA C 48.120 0.7 1 782 81 87 GLY HA3 H 4.523 0.02 2 783 81 87 GLY HA2 H 3.977 0.02 2 784 81 87 GLY C C 173.828 0.7 1 785 82 88 TYR N N 120.772 0.05 1 786 82 88 TYR H H 8.043 0.02 1 787 82 88 TYR CA C 56.481 0.7 1 788 82 88 TYR HA H 5.110 0.02 1 789 82 88 TYR CB C 41.336 0.7 1 790 82 88 TYR HB3 H 2.615 0.02 2 791 82 88 TYR HB2 H 1.805 0.02 2 792 82 88 TYR CD1 C 132.941 0.7 1 793 82 88 TYR HD1 H 6.446 0.02 1 794 82 88 TYR CE1 C 118.781 0.7 3 795 82 88 TYR HE1 H 6.502 0.02 3 796 82 88 TYR CE2 C 117.905 0.7 3 797 82 88 TYR HE2 H 6.059 0.02 3 798 82 88 TYR CD2 C 132.941 0.7 1 799 82 88 TYR HD2 H 6.446 0.02 1 800 82 88 TYR C C 171.199 0.7 1 801 83 89 TYR N N 117.176 0.05 1 802 83 89 TYR H H 8.999 0.02 1 803 83 89 TYR CA C 54.855 0.7 1 804 83 89 TYR HA H 5.497 0.02 1 805 83 89 TYR CB C 41.152 0.7 1 806 83 89 TYR HB3 H 2.313 0.02 2 807 83 89 TYR HB2 H 2.150 0.02 2 808 83 89 TYR CD1 C 134.279 0.7 1 809 83 89 TYR HD1 H 6.777 0.02 1 810 83 89 TYR CE1 C 117.351 0.7 1 811 83 89 TYR HE1 H 6.394 0.02 1 812 83 89 TYR CE2 C 117.351 0.7 1 813 83 89 TYR HE2 H 6.394 0.02 1 814 83 89 TYR CD2 C 134.279 0.7 1 815 83 89 TYR HD2 H 6.777 0.02 1 816 83 89 TYR C C 172.374 0.7 1 817 84 90 LEU N N 121.286 0.05 1 818 84 90 LEU H H 8.383 0.02 1 819 84 90 LEU CA C 55.087 0.7 1 820 84 90 LEU HA H 5.280 0.02 1 821 84 90 LEU CB C 46.145 0.7 1 822 84 90 LEU HB3 H 1.730 0.02 2 823 84 90 LEU HB2 H 1.523 0.02 2 824 84 90 LEU CG C 28.883 0.7 1 825 84 90 LEU HG H 1.615 0.02 1 826 84 90 LEU CD1 C 25.842 0.7 1 827 84 90 LEU HD1 H 0.933 0.02 1 828 84 90 LEU CD2 C 25.842 0.7 1 829 84 90 LEU HD2 H 0.933 0.02 1 830 84 90 LEU C C 175.003 0.7 1 831 85 91 THR N N 124.368 0.05 1 832 85 91 THR H H 9.819 0.02 1 833 85 91 THR CA C 60.777 0.7 1 834 85 91 THR HA H 5.678 0.02 1 835 85 91 THR CB C 73.551 0.7 1 836 85 91 THR HB H 4.024 0.02 1 837 85 91 THR CG2 C 24.322 0.7 1 838 85 91 THR HG2 H 1.080 0.02 1 839 85 91 THR C C 173.828 0.7 1 840 86 92 LEU N N 126.423 0.05 1 841 86 92 LEU H H 9.171 0.02 1 842 86 92 LEU CA C 53.810 0.7 1 843 86 92 LEU HA H 5.584 0.02 1 844 86 92 LEU CB C 46.494 0.7 1 845 86 92 LEU HB3 H 1.809 0.02 2 846 86 92 LEU HB2 H 1.450 0.02 2 847 86 92 LEU CG C 28.023 0.7 1 848 86 92 LEU HG H 1.648 0.02 1 849 86 92 LEU CD1 C 26.080 0.7 1 850 86 92 LEU HD1 H 1.075 0.02 2 851 86 92 LEU CD2 C 25.675 0.7 1 852 86 92 LEU HD2 H 0.984 0.02 2 853 86 92 LEU C C 176.290 0.7 1 854 87 93 THR N N 108.443 0.05 1 855 87 93 THR H H 7.901 0.02 1 856 87 93 THR CA C 60.197 0.7 1 857 87 93 THR HA H 4.856 0.02 1 858 87 93 THR CB C 72.041 0.7 1 859 87 93 THR HB H 4.579 0.02 1 860 87 93 THR CG2 C 22.960 0.7 1 861 87 93 THR HG2 H 1.081 0.02 1 862 87 93 THR C C 173.978 0.7 1 863 88 94 ARG N N 114.608 0.05 1 864 88 94 ARG H H 8.874 0.02 1 865 88 94 ARG CA C 56.945 0.7 1 866 88 94 ARG HA H 3.954 0.02 1 867 88 94 ARG CB C 28.611 0.7 1 868 88 94 ARG HB3 H 2.060 0.02 2 869 88 94 ARG HB2 H 1.727 0.02 2 870 88 94 ARG HG3 H 1.444 0.02 1 871 88 94 ARG HG2 H 1.444 0.02 1 872 88 94 ARG CD C 43.597 0.7 1 873 88 94 ARG HD3 H 3.178 0.02 1 874 88 94 ARG HD2 H 3.178 0.02 1 875 88 94 ARG C C 174.556 0.7 1 876 89 95 LEU N N 115.635 0.05 1 877 89 95 LEU H H 8.240 0.02 1 878 89 95 LEU CA C 53.810 0.7 1 879 89 95 LEU HA H 4.182 0.02 1 880 89 95 LEU CB C 43.242 0.7 1 881 89 95 LEU HB3 H 1.226 0.02 2 882 89 95 LEU HB2 H 0.999 0.02 2 883 89 95 LEU CG C 27.343 0.7 1 884 89 95 LEU HG H 1.290 0.02 1 885 89 95 LEU CD1 C 28.350 0.7 1 886 89 95 LEU HD1 H 0.559 0.02 2 887 89 95 LEU CD2 C 23.304 0.7 1 888 89 95 LEU HD2 H 0.280 0.02 2 889 89 95 LEU C C 178.247 0.7 1 890 90 96 ASP N N 124.368 0.05 1 891 90 96 ASP H H 8.365 0.02 1 892 90 96 ASP CA C 52.881 0.7 1 893 90 96 ASP HA H 4.883 0.02 1 894 90 96 ASP CB C 40.107 0.7 1 895 90 96 ASP HB3 H 3.064 0.02 2 896 90 96 ASP HB2 H 2.875 0.02 2 897 90 96 ASP C C 175.190 0.7 1 898 91 97 LYS N N 118.204 0.05 1 899 91 97 LYS H H 8.049 0.02 1 900 91 97 LYS CA C 55.087 0.7 1 901 91 97 LYS HA H 3.626 0.02 1 902 91 97 LYS CB C 33.139 0.7 1 903 91 97 LYS HB3 H 1.852 0.02 1 904 91 97 LYS HB2 H 1.852 0.02 1 905 91 97 LYS CG C 25.727 0.7 1 906 91 97 LYS HG3 H 1.265 0.02 2 907 91 97 LYS HG2 H 1.381 0.02 2 908 91 97 LYS CD C 29.906 0.7 1 909 91 97 LYS HD3 H 1.635 0.02 1 910 91 97 LYS HD2 H 1.635 0.02 1 911 91 97 LYS CE C 42.076 0.7 1 912 91 97 LYS HE3 H 2.901 0.02 1 913 91 97 LYS HE2 H 2.901 0.02 1 914 91 97 LYS C C 177.352 0.7 1 915 92 98 ALA N N 119.745 0.05 1 916 92 98 ALA H H 8.013 0.02 1 917 92 98 ALA CA C 55.552 0.7 1 918 92 98 ALA HA H 4.011 0.02 1 919 92 98 ALA CB C 18.740 0.7 1 920 92 98 ALA HB H 1.416 0.02 1 921 92 98 ALA C C 180.858 0.7 1 922 93 99 ALA N N 122.827 0.05 1 923 93 99 ALA H H 8.321 0.02 1 924 93 99 ALA CA C 55.668 0.7 1 925 93 99 ALA HA H 3.765 0.02 1 926 93 99 ALA CB C 18.785 0.7 1 927 93 99 ALA HB H 0.550 0.02 1 928 93 99 ALA C C 177.520 0.7 1 929 94 100 CYS N N 116.662 0.05 1 930 94 100 CYS H H 8.389 0.02 1 931 94 100 CYS CA C 60.545 0.7 1 932 94 100 CYS HA H 3.803 0.02 1 933 94 100 CYS CB C 37.320 0.7 1 934 94 100 CYS HB3 H 3.451 0.02 2 935 94 100 CYS HB2 H 2.496 0.02 2 936 94 100 CYS C C 175.134 0.7 1 937 95 101 VAL N N 120.772 0.05 1 938 95 101 VAL H H 8.600 0.02 1 939 95 101 VAL CA C 67.444 0.7 1 940 95 101 VAL HA H 3.435 0.02 1 941 95 101 VAL CB C 31.978 0.7 1 942 95 101 VAL HB H 2.112 0.02 1 943 95 101 VAL C C 178.266 0.7 1 944 96 102 SER N N 114.608 0.05 1 945 96 102 SER H H 7.801 0.02 1 946 96 102 SER CA C 62.287 0.7 1 947 96 102 SER HA H 4.049 0.02 1 948 96 102 SER CB C 63.680 0.7 1 949 96 102 SER HB3 H 3.881 0.02 1 950 96 102 SER HB2 H 3.881 0.02 1 951 96 102 SER C C 174.798 0.7 1 952 97 103 LEU N N 120.256 0.05 1 953 97 103 LEU H H 8.050 0.02 1 954 97 103 LEU CA C 56.132 0.7 1 955 97 103 LEU HA H 4.371 0.02 1 956 97 103 LEU CB C 40.571 0.7 1 957 97 103 LEU HB3 H 1.790 0.02 1 958 97 103 LEU HB2 H 1.790 0.02 1 959 97 103 LEU CG C 28.813 0.7 1 960 97 103 LEU HG H 1.823 0.02 1 961 97 103 LEU CD1 C 25.824 0.7 1 962 97 103 LEU HD1 H 1.016 0.02 2 963 97 103 LEU CD2 C 23.560 0.7 1 964 97 103 LEU HD2 H 0.969 0.02 2 965 97 103 LEU C C 180.560 0.7 1 966 98 104 ALA N N 124.626 0.05 1 967 98 104 ALA H H 9.582 0.02 1 968 98 104 ALA CA C 55.552 0.7 1 969 98 104 ALA HA H 4.049 0.02 1 970 98 104 ALA CB C 19.204 0.7 1 971 98 104 ALA HB H 1.321 0.02 1 972 98 104 ALA C C 176.905 0.7 1 973 99 105 THR N N 98.682 0.05 1 974 99 105 THR H H 6.803 0.02 1 975 99 105 THR CA C 61.009 0.7 1 976 99 105 THR HA H 4.523 0.02 1 977 99 105 THR CB C 69.835 0.7 1 978 99 105 THR HB H 4.288 0.02 1 979 99 105 THR CG2 C 20.841 0.7 1 980 99 105 THR HG2 H 1.023 0.02 1 981 99 105 THR C C 174.425 0.7 1 982 100 106 LEU N N 125.910 0.05 1 983 100 106 LEU H H 7.050 0.02 1 984 100 106 LEU CA C 56.481 0.7 1 985 100 106 LEU HA H 4.106 0.02 1 986 100 106 LEU CB C 43.707 0.7 1 987 100 106 LEU HB3 H 2.174 0.02 1 988 100 106 LEU HB2 H 2.174 0.02 1 989 100 106 LEU CG C 24.373 0.7 1 990 100 106 LEU HG H 1.500 0.02 1 991 100 106 LEU CD1 C 26.234 0.7 1 992 100 106 LEU HD1 H 0.970 0.02 2 993 100 106 LEU CD2 C 26.234 0.7 1 994 100 106 LEU HD2 H 0.848 0.02 2 995 100 106 LEU C C 172.971 0.7 1 996 101 107 ASN N N 123.341 0.05 1 997 101 107 ASN H H 8.328 0.02 1 998 101 107 ASN CA C 51.836 0.7 1 999 101 107 ASN HA H 4.826 0.02 1 1000 101 107 ASN CB C 39.294 0.7 1 1001 101 107 ASN HB3 H 3.121 0.02 2 1002 101 107 ASN HB2 H 2.553 0.02 2 1003 101 107 ASN C C 176.495 0.7 1 1004 102 108 LEU N N 126.423 0.05 1 1005 102 108 LEU H H 8.818 0.02 1 1006 102 108 LEU CA C 54.971 0.7 1 1007 102 108 LEU HA H 4.418 0.02 1 1008 102 108 LEU CB C 42.778 0.7 1 1009 102 108 LEU HB3 H 1.643 0.02 1 1010 102 108 LEU HB2 H 1.643 0.02 1 1011 102 108 LEU CG C 28.350 0.7 1 1012 102 108 LEU HG H 1.525 0.02 1 1013 102 108 LEU CD1 C 24.373 0.7 1 1014 102 108 LEU HD1 H 0.677 0.02 2 1015 102 108 LEU CD2 C 24.373 0.7 1 1016 102 108 LEU HD2 H 0.547 0.02 2 1017 102 108 LEU C C 177.725 0.7 1 1018 103 109 GLY N N 108.443 0.05 1 1019 103 109 GLY H H 8.628 0.02 1 1020 103 109 GLY CA C 46.610 0.7 1 1021 103 109 GLY HA3 H 4.201 0.02 2 1022 103 109 GLY HA2 H 3.917 0.02 2 1023 103 109 GLY C C 176.980 0.7 1 1024 104 110 THR N N 115.121 0.05 1 1025 104 110 THR H H 8.725 0.02 1 1026 104 110 THR CA C 64.609 0.7 1 1027 104 110 THR HA H 4.428 0.02 1 1028 104 110 THR CB C 69.370 0.7 1 1029 104 110 THR HB H 4.239 0.02 1 1030 104 110 THR CG2 C 22.355 0.7 1 1031 104 110 THR HG2 H 1.345 0.02 1 1032 104 110 THR C C 175.525 0.7 1 1033 105 111 SER N N 114.608 0.05 1 1034 105 111 SER H H 7.989 0.02 1 1035 105 111 SER CA C 60.777 0.7 1 1036 105 111 SER HA H 4.371 0.02 1 1037 105 111 SER CB C 63.796 0.7 1 1038 105 111 SER HB3 H 4.011 0.02 2 1039 105 111 SER HB2 H 3.860 0.02 2 1040 105 111 SER C C 173.101 0.7 1 1041 106 112 ALA N N 122.827 0.05 1 1042 106 112 ALA H H 7.282 0.02 1 1043 106 112 ALA CA C 51.836 0.7 1 1044 106 112 ALA HA H 4.883 0.02 1 1045 106 112 ALA CB C 20.830 0.7 1 1046 106 112 ALA HB H 1.132 0.02 1 1047 106 112 ALA C C 176.942 0.7 1 1048 107 113 LYS N N 123.855 0.05 1 1049 107 113 LYS H H 9.390 0.02 1 1050 107 113 LYS CA C 55.784 0.7 1 1051 107 113 LYS HA H 3.973 0.02 1 1052 107 113 LYS CB C 33.836 0.7 1 1053 107 113 LYS HB3 H 1.081 0.02 2 1054 107 113 LYS HB2 H 1.015 0.02 2 1055 107 113 LYS CG C 24.706 0.7 1 1056 107 113 LYS HG3 H 0.714 0.02 1 1057 107 113 LYS HG2 H 0.714 0.02 1 1058 107 113 LYS CD C 28.101 0.7 1 1059 107 113 LYS HD3 H 1.524 0.02 1 1060 107 113 LYS HD2 H 1.524 0.02 1 1061 107 113 LYS CE C 42.205 0.7 1 1062 107 113 LYS HE3 H 2.803 0.02 1 1063 107 113 LYS HE2 H 2.803 0.02 1 1064 107 113 LYS C C 175.134 0.7 1 1065 108 114 GLY N N 101.250 0.05 1 1066 108 114 GLY H H 7.511 0.02 1 1067 108 114 GLY CA C 47.191 0.7 1 1068 108 114 GLY HA3 H 4.227 0.02 2 1069 108 114 GLY HA2 H 4.011 0.02 2 1070 108 114 GLY C C 171.106 0.7 1 1071 109 115 TYR N N 116.149 0.05 1 1072 109 115 TYR H H 8.767 0.02 1 1073 109 115 TYR CA C 57.874 0.7 1 1074 109 115 TYR HA H 5.508 0.02 1 1075 109 115 TYR CB C 46.029 0.7 1 1076 109 115 TYR HB3 H 3.065 0.02 2 1077 109 115 TYR HB2 H 2.781 0.02 2 1078 109 115 TYR CD1 C 134.555 0.7 1 1079 109 115 TYR HD1 H 7.060 0.02 1 1080 109 115 TYR CE1 C 117.536 0.7 1 1081 109 115 TYR HE1 H 6.868 0.02 1 1082 109 115 TYR CE2 C 117.536 0.7 1 1083 109 115 TYR HE2 H 6.868 0.02 1 1084 109 115 TYR CD2 C 134.555 0.7 1 1085 109 115 TYR HD2 H 7.060 0.02 1 1086 109 115 TYR C C 175.805 0.7 1 1087 110 116 GLY N N 107.415 0.05 1 1088 110 116 GLY H H 9.477 0.02 1 1089 110 116 GLY CA C 47.307 0.7 1 1090 110 116 GLY HA3 H 5.140 0.02 2 1091 110 116 GLY HA2 H 4.120 0.02 2 1092 110 116 GLY C C 170.938 0.7 1 1093 111 117 VAL N N 123.341 0.05 1 1094 111 117 VAL H H 8.907 0.02 1 1095 111 117 VAL CA C 61.474 0.7 1 1096 111 117 VAL HA H 4.805 0.02 1 1097 111 117 VAL CB C 34.301 0.7 1 1098 111 117 VAL HB H 2.231 0.02 1 1099 111 117 VAL CG2 C 21.512 0.7 1 1100 111 117 VAL HG2 H 0.950 0.02 2 1101 111 117 VAL CG1 C 21.512 0.7 1 1102 111 117 VAL HG1 H 0.848 0.02 2 1103 111 117 VAL C C 174.183 0.7 1 1104 112 118 ASN N N 121.286 0.05 1 1105 112 118 ASN H H 9.128 0.02 1 1106 112 118 ASN CA C 55.319 0.7 1 1107 112 118 ASN HA H 4.276 0.02 1 1108 112 118 ASN CB C 36.739 0.7 1 1109 112 118 ASN HB3 H 3.500 0.02 2 1110 112 118 ASN HB2 H 3.026 0.02 2 1111 112 118 ASN C C 174.350 0.7 1 1112 113 119 ILE N N 118.204 0.05 1 1113 113 119 ILE H H 8.566 0.02 1 1114 113 119 ILE CA C 61.822 0.7 1 1115 113 119 ILE HA H 3.708 0.02 1 1116 113 119 ILE CB C 39.116 0.7 1 1117 113 119 ILE HB H 1.520 0.02 1 1118 113 119 ILE CG1 C 28.133 0.7 2 1119 113 119 ILE HG13 H 1.282 0.02 1 1120 113 119 ILE HG12 H 1.282 0.02 1 1121 113 119 ILE CD1 C 14.970 0.7 1 1122 113 119 ILE HD1 H 0.655 0.02 1 1123 113 119 ILE CG2 C 17.662 0.7 1 1124 113 119 ILE HG2 H 0.556 0.02 1 1125 113 119 ILE C C 175.917 0.7 1 1126 114 120 SER N N 122.314 0.05 1 1127 114 120 SER H H 8.277 0.02 1 1128 114 120 SER CA C 57.990 0.7 1 1129 114 120 SER HA H 4.504 0.02 1 1130 114 120 SER CB C 64.377 0.7 1 1131 114 120 SER HB3 H 3.727 0.02 1 1132 114 120 SER HB2 H 3.727 0.02 1 1133 114 120 SER C C 174.500 0.7 1 1134 115 121 GLY N N 114.608 0.05 1 1135 115 121 GLY H H 8.776 0.02 1 1136 115 121 GLY CA C 47.771 0.7 1 1137 115 121 GLY HA3 H 3.879 0.02 2 1138 115 121 GLY HA2 H 3.765 0.02 2 1139 115 121 GLY C C 176.663 0.7 1 1140 116 122 GLU N N 123.341 0.05 1 1141 116 122 GLU H H 10.654 0.02 1 1142 116 122 GLU CA C 60.313 0.7 1 1143 116 122 GLU HA H 3.658 0.02 1 1144 116 122 GLU CB C 28.262 0.7 1 1145 116 122 GLU HB3 H 1.208 0.02 2 1146 116 122 GLU HB2 H 0.904 0.02 2 1147 116 122 GLU CG C 35.473 0.7 1 1148 116 122 GLU HG3 H 1.487 0.02 2 1149 116 122 GLU HG2 H 1.360 0.02 2 1150 116 122 GLU C C 176.271 0.7 1 1151 117 123 ASN N N 112.552 0.05 1 1152 117 123 ASN H H 8.355 0.02 1 1153 117 123 ASN CA C 56.016 0.7 1 1154 117 123 ASN HA H 4.288 0.02 1 1155 117 123 ASN CB C 37.088 0.7 1 1156 117 123 ASN HB3 H 3.032 0.02 2 1157 117 123 ASN HB2 H 2.856 0.02 2 1158 117 123 ASN C C 178.080 0.7 1 1159 118 124 ASN N N 119.745 0.05 1 1160 118 124 ASN H H 8.064 0.02 1 1161 118 124 ASN CA C 53.461 0.7 1 1162 118 124 ASN HA H 4.965 0.02 1 1163 118 124 ASN CB C 40.455 0.7 1 1164 118 124 ASN HB3 H 3.026 0.02 2 1165 118 124 ASN HB2 H 2.628 0.02 2 1166 118 124 ASN C C 174.761 0.7 1 1167 119 125 ILE N N 122.827 0.05 1 1168 119 125 ILE H H 7.147 0.02 1 1169 119 125 ILE CA C 60.661 0.7 1 1170 119 125 ILE HA H 3.860 0.02 1 1171 119 125 ILE CB C 36.159 0.7 1 1172 119 125 ILE HB H 1.965 0.02 1 1173 119 125 ILE CG1 C 27.278 0.7 2 1174 119 125 ILE HG13 H 1.591 0.02 1 1175 119 125 ILE HG12 H 1.315 0.02 1 1176 119 125 ILE CD1 C 18.000 0.7 1 1177 119 125 ILE HD1 H -0.213 0.02 1 1178 119 125 ILE CG2 C 16.993 0.7 1 1179 119 125 ILE HG2 H 1.130 0.02 1 1180 119 125 ILE C C 176.532 0.7 1 1181 120 126 THR N N 113.580 0.05 1 1182 120 126 THR H H 8.414 0.02 1 1183 120 126 THR CA C 60.893 0.7 1 1184 120 126 THR HA H 4.504 0.02 1 1185 120 126 THR CB C 71.112 0.7 1 1186 120 126 THR HB H 4.371 0.02 1 1187 120 126 THR CG2 C 22.082 0.7 1 1188 120 126 THR HG2 H 1.154 0.02 1 1189 120 126 THR C C 173.810 0.7 1 1190 121 127 SER N N 116.149 0.05 1 1191 121 127 SER H H 7.235 0.02 1 1192 121 127 SER CA C 57.874 0.7 1 1193 121 127 SER HA H 4.552 0.02 1 1194 121 127 SER CB C 65.306 0.7 1 1195 121 127 SER HB3 H 3.658 0.02 1 1196 121 127 SER HB2 H 3.658 0.02 1 1197 121 127 SER C C 170.826 0.7 1 1198 122 128 PHE N N 121.800 0.05 1 1199 122 128 PHE H H 8.417 0.02 1 1200 122 128 PHE CA C 57.410 0.7 1 1201 122 128 PHE HA H 4.561 0.02 1 1202 122 128 PHE CB C 42.197 0.7 1 1203 122 128 PHE HB3 H 2.820 0.02 2 1204 122 128 PHE HB2 H 2.505 0.02 2 1205 122 128 PHE CD1 C 132.388 0.7 1 1206 122 128 PHE HD1 H 6.775 0.02 1 1207 122 128 PHE CE1 C 130.220 0.7 1 1208 122 128 PHE HE1 H 6.367 0.02 1 1209 122 128 PHE CZ C 129.389 0.7 1 1210 122 128 PHE HZ H 6.661 0.02 1 1211 122 128 PHE CE2 C 130.220 0.7 1 1212 122 128 PHE HE2 H 6.367 0.02 1 1213 122 128 PHE CD2 C 132.388 0.7 1 1214 122 128 PHE HD2 H 6.775 0.02 1 1215 122 128 PHE C C 176.159 0.7 1 1216 123 129 GLY N N 114.094 0.05 1 1217 123 129 GLY H H 9.023 0.02 1 1218 123 129 GLY CA C 46.029 0.7 1 1219 123 129 GLY HA3 H 4.735 0.02 2 1220 123 129 GLY HA2 H 3.784 0.02 2 1221 123 129 GLY C C 174.033 0.7 1 1222 124 130 ASN N N 119.745 0.05 1 1223 124 130 ASN H H 8.633 0.02 1 1224 124 130 ASN CA C 53.461 0.7 1 1225 124 130 ASN HA H 5.053 0.02 1 1226 124 130 ASN CB C 39.991 0.7 1 1227 124 130 ASN HB3 H 2.925 0.02 2 1228 124 130 ASN HB2 H 2.813 0.02 2 1229 124 130 ASN C C 174.966 0.7 1 1230 125 131 SER N N 113.580 0.05 1 1231 125 131 SER H H 8.119 0.02 1 1232 125 131 SER CA C 56.132 0.7 1 1233 125 131 SER HA H 4.788 0.02 1 1234 125 131 SER CB C 65.306 0.7 1 1235 125 131 SER HB3 H 3.746 0.02 2 1236 125 131 SER HB2 H 3.519 0.02 2 1237 125 131 SER C C 172.933 0.7 1 1238 126 132 ALA N N 127.965 0.05 1 1239 126 132 ALA H H 9.226 0.02 1 1240 126 132 ALA CA C 51.023 0.7 1 1241 126 132 ALA HA H 5.205 0.02 1 1242 126 132 ALA CB C 21.875 0.7 1 1243 126 132 ALA HB H 1.416 0.02 1 1244 126 132 ALA C C 176.140 0.7 1 1245 127 133 ASP N N 116.662 0.05 1 1246 127 133 ASP H H 7.653 0.02 1 1247 127 133 ASP CA C 53.694 0.7 1 1248 127 133 ASP HA H 4.820 0.02 1 1249 127 133 ASP CB C 40.223 0.7 1 1250 127 133 ASP HB3 H 2.862 0.02 2 1251 127 133 ASP HB2 H 2.431 0.02 2 1252 127 133 ASP C C 174.276 0.7 1 1253 128 134 GLN N N 122.313 0.05 1 1254 128 134 GLN H H 8.881 0.02 1 1255 128 134 GLN CA C 57.874 0.7 1 1256 128 134 GLN HA H 3.810 0.02 1 1257 128 134 GLN CB C 27.682 0.7 1 1258 128 134 GLN HB3 H 2.320 0.02 2 1259 128 134 GLN HB2 H 2.218 0.02 2 1260 128 134 GLN CG C 34.798 0.7 1 1261 128 134 GLN HG3 H 2.600 0.02 2 1262 128 134 GLN HG2 H 2.450 0.02 2 1263 128 134 GLN C C 174.537 0.7 1 1264 129 135 ALA N N 120.772 0.05 1 1265 129 135 ALA H H 7.619 0.02 1 1266 129 135 ALA CA C 50.907 0.7 1 1267 129 135 ALA HA H 4.049 0.02 1 1268 129 135 ALA CB C 21.759 0.7 1 1269 129 135 ALA HB H 1.113 0.02 1 1270 129 135 ALA C C 172.225 0.7 1 1271 130 136 ALA N N 119.231 0.05 1 1272 130 136 ALA H H 8.134 0.02 1 1273 130 136 ALA CA C 50.790 0.7 1 1274 130 136 ALA HA H 4.902 0.02 1 1275 130 136 ALA CB C 23.269 0.7 1 1276 130 136 ALA HB H 0.582 0.02 1 1277 130 136 ALA C C 175.040 0.7 1 1278 131 137 LYS N N 126.937 0.05 1 1279 131 137 LYS H H 9.632 0.02 1 1280 131 137 LYS CA C 55.203 0.7 1 1281 131 137 LYS HA H 4.542 0.02 1 1282 131 137 LYS CB C 36.507 0.7 1 1283 131 137 LYS HB3 H 2.117 0.02 2 1284 131 137 LYS HB2 H 1.595 0.02 2 1285 131 137 LYS CG C 30.244 0.7 1 1286 131 137 LYS HG3 H 1.445 0.02 1 1287 131 137 LYS HG2 H 1.445 0.02 1 1288 131 137 LYS CD C 28.096 0.7 1 1289 131 137 LYS HD3 H 1.271 0.02 2 1290 131 137 LYS HD2 H 1.383 0.02 2 1291 131 137 LYS CE C 42.014 0.7 1 1292 131 137 LYS C C 177.688 0.7 1 1293 132 138 SER N N 117.690 0.05 1 1294 132 138 SER H H 9.143 0.02 1 1295 132 138 SER CA C 60.197 0.7 1 1296 132 138 SER HA H 4.655 0.02 1 1297 132 138 SER CB C 64.958 0.7 1 1298 132 138 SER HB3 H 4.258 0.02 2 1299 132 138 SER HB2 H 3.803 0.02 2 1300 132 138 SER C C 173.847 0.7 1 1301 133 139 THR N N 111.525 0.05 1 1302 133 139 THR H H 7.361 0.02 1 1303 133 139 THR CA C 59.964 0.7 1 1304 133 139 THR HA H 4.662 0.02 1 1305 133 139 THR CB C 72.390 0.7 1 1306 133 139 THR HB H 4.352 0.02 1 1307 133 139 THR CG2 C 22.082 0.7 1 1308 133 139 THR HG2 H 1.240 0.02 1 1309 133 139 THR C C 171.591 0.7 1 1310 134 140 ALA N N 117.690 0.05 1 1311 134 140 ALA H H 7.829 0.02 1 1312 134 140 ALA CA C 53.113 0.7 1 1313 134 140 ALA HA H 3.367 0.02 1 1314 134 140 ALA CB C 18.275 0.7 1 1315 134 140 ALA HB H 1.056 0.02 1 1316 134 140 ALA C C 177.744 0.7 1 1317 135 141 ILE N N 125.396 0.05 1 1318 135 141 ILE H H 8.673 0.02 1 1319 135 141 ILE CA C 62.403 0.7 1 1320 135 141 ILE HA H 3.632 0.02 1 1321 135 141 ILE CB C 38.133 0.7 1 1322 135 141 ILE HB H 1.680 0.02 1 1323 135 141 ILE CG1 C 29.102 0.7 2 1324 135 141 ILE HG13 H 1.385 0.02 1 1325 135 141 ILE HG12 H 1.385 0.02 1 1326 135 141 ILE CD1 C 14.745 0.7 1 1327 135 141 ILE HD1 H 0.831 0.02 1 1328 135 141 ILE CG2 C 18.263 0.7 1 1329 135 141 ILE C C 176.569 0.7 1 1330 136 142 THR N N 118.717 0.05 1 1331 136 142 THR H H 8.616 0.02 1 1332 136 142 THR CA C 60.777 0.7 1 1333 136 142 THR HA H 3.995 0.02 1 1334 136 142 THR CB C 69.022 0.7 1 1335 136 142 THR HG2 H 1.270 0.02 1 1336 137 143 PRO CA C 67.164 0.7 1 1337 137 143 PRO HA H 3.998 0.02 1 1338 137 143 PRO CB C 32.443 0.7 1 1339 137 143 PRO HB3 H 2.403 0.02 2 1340 137 143 PRO HB2 H 1.955 0.02 2 1341 137 143 PRO HG3 H 2.277 0.02 1 1342 137 143 PRO HG2 H 2.277 0.02 1 1343 137 143 PRO CD C 50.209 0.7 1 1344 137 143 PRO HD3 H 2.021 0.02 1 1345 137 143 PRO HD2 H 2.021 0.02 1 1346 137 143 PRO C C 179.198 0.7 1 1347 138 144 ALA N N 119.745 0.05 1 1348 138 144 ALA H H 8.286 0.02 1 1349 138 144 ALA CA C 55.784 0.7 1 1350 138 144 ALA HA H 4.125 0.02 1 1351 138 144 ALA CB C 19.088 0.7 1 1352 138 144 ALA HB H 1.378 0.02 1 1353 138 144 ALA C C 180.914 0.7 1 1354 139 145 GLU N N 118.717 0.05 1 1355 139 145 GLU H H 7.555 0.02 1 1356 139 145 GLU CA C 58.687 0.7 1 1357 139 145 GLU HA H 3.962 0.02 1 1358 139 145 GLU CB C 31.746 0.7 1 1359 139 145 GLU HB3 H 2.382 0.02 2 1360 139 145 GLU HB2 H 1.852 0.02 2 1361 139 145 GLU CG C 37.089 0.7 1 1362 139 145 GLU HG3 H 2.262 0.02 1 1363 139 145 GLU HG2 H 2.262 0.02 1 1364 139 145 GLU C C 180.317 0.7 1 1365 140 146 ALA N N 122.827 0.05 1 1366 140 146 ALA H H 8.795 0.02 1 1367 140 146 ALA CA C 55.545 0.7 1 1368 140 146 ALA HA H 3.684 0.02 1 1369 140 146 ALA CB C 20.262 0.7 1 1370 140 146 ALA HB H 1.420 0.02 1 1371 140 146 ALA C C 178.732 0.7 1 1372 141 147 ALA N N 118.717 0.05 1 1373 141 147 ALA H H 8.057 0.02 1 1374 141 147 ALA CA C 55.544 0.7 1 1375 141 147 ALA HA H 3.773 0.02 1 1376 141 147 ALA CB C 18.270 0.7 1 1377 141 147 ALA HB H 1.423 0.02 1 1378 141 147 ALA C C 179.273 0.7 1 1379 142 148 THR N N 110.498 0.05 1 1380 142 148 THR H H 7.206 0.02 1 1381 142 148 THR CA C 65.235 0.7 1 1382 142 148 THR HA H 4.106 0.02 1 1383 142 148 THR CB C 69.528 0.7 1 1384 142 148 THR HB H 3.973 0.02 1 1385 142 148 THR CG2 C 22.935 0.7 1 1386 142 148 THR HG2 H 1.198 0.02 1 1387 142 148 THR C C 175.357 0.7 1 1388 143 149 ALA N N 121.286 0.05 1 1389 143 149 ALA H H 7.907 0.02 1 1390 143 149 ALA CA C 54.943 0.7 1 1391 143 149 ALA HA H 4.068 0.02 1 1392 143 149 ALA CB C 18.564 0.7 1 1393 143 149 ALA HB H 1.321 0.02 1 1394 143 149 ALA C C 179.646 0.7 1 1395 144 150 CYS N N 119.231 0.05 1 1396 144 150 CYS H H 8.339 0.02 1 1397 144 150 CYS CA C 55.045 0.7 1 1398 144 150 CYS CB C 39.556 0.7 1 1399 147 153 THR CA C 62.892 0.7 1 1400 147 153 THR HA H 4.469 0.02 1 1401 147 153 THR CB C 69.617 0.7 1 1402 147 153 THR HB H 4.264 0.02 1 1403 147 153 THR HG2 H 1.271 0.02 1 1404 147 153 THR C C 174.444 0.7 1 1405 148 154 ASP N N 121.800 0.05 1 1406 148 154 ASP H H 8.364 0.02 1 1407 148 154 ASP CA C 53.415 0.7 1 1408 148 154 ASP HA H 4.750 0.02 1 1409 148 154 ASP CB C 41.186 0.7 1 1410 148 154 ASP HB3 H 2.911 0.02 2 1411 148 154 ASP HB2 H 2.647 0.02 2 1412 148 154 ASP C C 176.215 0.7 1 1413 149 155 SER N N 112.552 0.05 1 1414 149 155 SER H H 8.775 0.02 1 1415 149 155 SER CA C 58.204 0.7 1 1416 149 155 SER HA H 4.011 0.02 1 1417 149 155 SER CB C 61.567 0.7 1 1418 149 155 SER HB3 H 3.898 0.02 1 1419 149 155 SER HB2 H 3.898 0.02 1 1420 149 155 SER C C 175.040 0.7 1 1421 150 156 THR N N 103.819 0.05 1 1422 150 156 THR H H 7.016 0.02 1 1423 150 156 THR CA C 60.752 0.7 1 1424 150 156 THR HA H 4.561 0.02 1 1425 150 156 THR CB C 70.127 0.7 1 1426 150 156 THR CG2 C 20.996 0.7 1 1427 150 156 THR HG2 H 1.029 0.02 1 1428 150 156 THR C C 177.297 0.7 1 1429 151 157 ASN N N 120.772 0.05 1 1430 151 157 ASN H H 8.550 0.02 1 1431 151 157 ASN CA C 55.351 0.7 1 1432 151 157 ASN HA H 5.489 0.02 1 1433 151 157 ASN CB C 41.085 0.7 1 1434 151 157 ASN HB3 H 2.704 0.02 1 1435 151 157 ASN HB2 H 2.704 0.02 1 1436 151 157 ASN C C 173.605 0.7 1 1437 152 158 LYS N N 117.690 0.05 1 1438 152 158 LYS H H 8.446 0.02 1 1439 152 158 LYS CA C 54.739 0.7 1 1440 152 158 LYS HA H 4.812 0.02 1 1441 152 158 LYS CB C 37.518 0.7 1 1442 152 158 LYS HB3 H 1.820 0.02 2 1443 152 158 LYS HB2 H 1.660 0.02 2 1444 152 158 LYS CG C 24.719 0.7 1 1445 152 158 LYS HG3 H 1.267 0.02 1 1446 152 158 LYS HG2 H 1.267 0.02 1 1447 152 158 LYS CD C 29.638 0.7 1 1448 152 158 LYS HD3 H 1.603 0.02 1 1449 152 158 LYS HD2 H 1.603 0.02 1 1450 152 158 LYS CE C 42.168 0.7 1 1451 152 158 LYS HE3 H 3.532 0.02 1 1452 152 158 LYS HE2 H 3.532 0.02 1 1453 152 158 LYS C C 173.138 0.7 1 1454 153 159 VAL N N 121.286 0.05 1 1455 153 159 VAL H H 8.904 0.02 1 1456 153 159 VAL CA C 58.204 0.7 1 1457 153 159 VAL HA H 5.186 0.02 1 1458 153 159 VAL CB C 37.110 0.7 1 1459 153 159 VAL HB H 2.496 0.02 1 1460 153 159 VAL CG2 C 27.395 0.7 1 1461 153 159 VAL HG2 H 1.099 0.02 1 1462 153 159 VAL CG1 C 19.175 0.7 1 1463 153 159 VAL HG1 H 1.099 0.02 1 1464 153 159 VAL C C 176.830 0.7 1 1465 154 160 THR N N 118.204 0.05 1 1466 154 160 THR H H 9.462 0.02 1 1467 154 160 THR CA C 60.752 0.7 1 1468 154 160 THR HA H 5.224 0.02 1 1469 154 160 THR CB C 71.247 0.7 1 1470 154 160 THR HB H 4.542 0.02 1 1471 154 160 THR CG2 C 22.080 0.7 1 1472 154 160 THR HG2 H 1.207 0.02 1 1473 154 160 THR C C 173.232 0.7 1 1474 155 161 TYR N N 116.662 0.05 1 1475 155 161 TYR H H 8.005 0.02 1 1476 155 161 TYR CA C 50.765 0.7 1 1477 155 161 TYR HA H 4.550 0.02 1 1478 155 161 TYR CB C 40.216 0.7 1 1479 155 161 TYR HB3 H 2.825 0.02 2 1480 155 161 TYR HB2 H 2.601 0.02 2 1481 155 161 TYR CD1 C 134.002 0.7 1 1482 155 161 TYR HD1 H 7.203 0.02 1 1483 155 161 TYR CE1 C 117.582 0.7 1 1484 155 161 TYR HE1 H 6.727 0.02 1 1485 155 161 TYR CE2 C 117.582 0.7 1 1486 155 161 TYR HE2 H 6.727 0.02 1 1487 155 161 TYR CD2 C 134.002 0.7 1 1488 155 161 TYR HD2 H 7.203 0.02 1 1489 155 161 TYR C C 176.666 0.7 1 1490 156 162 PHE N N 121.800 0.05 1 1491 156 162 PHE H H 8.450 0.02 1 1492 156 162 PHE CA C 57.593 0.7 1 1493 156 162 PHE HA H 4.187 0.02 1 1494 156 162 PHE CB C 39.760 0.7 1 1495 156 162 PHE HB3 H 2.355 0.02 2 1496 156 162 PHE HB2 H 1.865 0.02 2 1497 156 162 PHE CD1 C 130.819 0.7 1 1498 156 162 PHE HD1 H 6.776 0.02 1 1499 156 162 PHE CE1 C 130.681 0.7 1 1500 156 162 PHE HE1 H 7.655 0.02 1 1501 156 162 PHE CE2 C 130.681 0.7 1 1502 156 162 PHE HE2 H 7.655 0.02 1 1503 156 162 PHE CD2 C 130.819 0.7 1 1504 156 162 PHE HD2 H 6.776 0.02 1 1505 156 162 PHE C C 173.978 0.7 1 1506 157 163 MET N N 123.855 0.05 1 1507 157 163 MET H H 9.166 0.02 1 1508 157 163 MET CA C 53.313 0.7 1 1509 157 163 MET HA H 4.939 0.02 1 1510 157 163 MET CB C 31.098 0.7 1 1511 157 163 MET HB3 H 1.737 0.02 2 1512 157 163 MET HB2 H 1.620 0.02 2 1513 157 163 MET CG C 34.085 0.7 1 1514 157 163 MET HG3 H 2.160 0.02 1 1515 157 163 MET HG2 H 2.160 0.02 1 1516 157 163 MET C C 177.408 0.7 1 1517 158 164 LYS N N 126.937 0.05 1 1518 158 164 LYS H H 8.163 0.02 1 1519 158 164 LYS CA C 60.242 0.7 1 1520 158 164 LYS CB C 34.359 0.7 1 1521 158 164 LYS HB3 H 1.718 0.02 2 1522 158 164 LYS HB2 H 1.868 0.02 2 1523 158 164 LYS HG3 H 1.314 0.02 1 1524 158 164 LYS HG2 H 1.314 0.02 1 1525 158 164 LYS HE3 H 2.931 0.02 2 1526 158 164 LYS HE2 H 2.816 0.02 2 stop_ save_