data_7360 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N and 13C chemical shift assignments for reduced and oxidised forms of the DsbA oxidoreductase from Vibrio cholerae ; _BMRB_accession_number 7360 _BMRB_flat_file_name bmr7360.str _Entry_type original _Submission_date 2007-01-10 _Accession_date 2007-01-11 _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 Horne Henry J. . 2 Scanlon Martin J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 966 "13C chemical shifts" 533 "15N chemical shifts" 176 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-31 update BMRB 'complete entry citation' 2007-06-26 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 7359 'DsbA oxidoreductase, oxidized form' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone and side chain 1H, 15N and 13C assignments for the reduced form of the oxidoreductase protein DsbA from Vibrio cholerae ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636831 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Horne James . . 2 Scanlon Martin J. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 1 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 75 _Page_last 76 _Year 2007 _Details . loop_ _Keyword DsbA oxidoreductase akaike relaxation stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'DsbA oxidoreductase' _Enzyme_commission_number 5.3.4.1 loop_ _Mol_system_component_name _Mol_label DsbA $DsbA stop_ _System_molecular_weight 20500 _System_physical_state native _System_oligomer_state protein _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'protein disulfide isomerase' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_DsbA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'DsbA protein disulfide isomerase' _Molecular_mass 20443.3 _Mol_thiol_state 'all free' _Details 'Formula weight calculated for reduced DsbA assuming the presence of a single thiolate anion' ############################## # Polymer residue sequence # ############################## _Residue_count 181 _Mol_residue_sequence ; AQFKEGEHYQVLKTPASSSP VVSEFFSFYCPHCNTFEPII AQLKQQLPEGAKFQKNHVSF MGGNMGQAMSKAYATMIALE VEDKMVPVMFNRIHTLRKPP KDEQELRQIFLDEGIDAAKF DAAYNGFAVDSMVRRFDKQF QDSGLTGVPAVVVNNRYLVQ GQSAKSLDEYFDLVNYLLTL K ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 GLN 3 PHE 4 LYS 5 GLU 6 GLY 7 GLU 8 HIS 9 TYR 10 GLN 11 VAL 12 LEU 13 LYS 14 THR 15 PRO 16 ALA 17 SER 18 SER 19 SER 20 PRO 21 VAL 22 VAL 23 SER 24 GLU 25 PHE 26 PHE 27 SER 28 PHE 29 TYR 30 CYS 31 PRO 32 HIS 33 CYS 34 ASN 35 THR 36 PHE 37 GLU 38 PRO 39 ILE 40 ILE 41 ALA 42 GLN 43 LEU 44 LYS 45 GLN 46 GLN 47 LEU 48 PRO 49 GLU 50 GLY 51 ALA 52 LYS 53 PHE 54 GLN 55 LYS 56 ASN 57 HIS 58 VAL 59 SER 60 PHE 61 MET 62 GLY 63 GLY 64 ASN 65 MET 66 GLY 67 GLN 68 ALA 69 MET 70 SER 71 LYS 72 ALA 73 TYR 74 ALA 75 THR 76 MET 77 ILE 78 ALA 79 LEU 80 GLU 81 VAL 82 GLU 83 ASP 84 LYS 85 MET 86 VAL 87 PRO 88 VAL 89 MET 90 PHE 91 ASN 92 ARG 93 ILE 94 HIS 95 THR 96 LEU 97 ARG 98 LYS 99 PRO 100 PRO 101 LYS 102 ASP 103 GLU 104 GLN 105 GLU 106 LEU 107 ARG 108 GLN 109 ILE 110 PHE 111 LEU 112 ASP 113 GLU 114 GLY 115 ILE 116 ASP 117 ALA 118 ALA 119 LYS 120 PHE 121 ASP 122 ALA 123 ALA 124 TYR 125 ASN 126 GLY 127 PHE 128 ALA 129 VAL 130 ASP 131 SER 132 MET 133 VAL 134 ARG 135 ARG 136 PHE 137 ASP 138 LYS 139 GLN 140 PHE 141 GLN 142 ASP 143 SER 144 GLY 145 LEU 146 THR 147 GLY 148 VAL 149 PRO 150 ALA 151 VAL 152 VAL 153 VAL 154 ASN 155 ASN 156 ARG 157 TYR 158 LEU 159 VAL 160 GLN 161 GLY 162 GLN 163 SER 164 ALA 165 LYS 166 SER 167 LEU 168 ASP 169 GLU 170 TYR 171 PHE 172 ASP 173 LEU 174 VAL 175 ASN 176 TYR 177 LEU 178 LEU 179 THR 180 LEU 181 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 BMRB 7359 "DsbA protein disulfide isomerase" 100.00 181 99.45 99.45 2.02e-130 PDB 1BED "Structure Of Disulfide Oxidoreductase" 100.00 181 98.90 98.90 8.65e-130 PDB 2IJY "Nmr Structure Ensemble For The Reduced Dsba Disulphide Oxidoreductase From Vibrio Cholerae" 100.00 181 99.45 99.45 2.02e-130 PDB 4DVC "Structural And Functional Studies Of Tcpg, The Vibrio Cholerae Dsba Disulfide-Forming Protein Required For Pilus And Cholera To" 100.00 184 98.90 98.90 1.42e-129 DBJ BAP04237 "periplasmic thiol:disulfide interchange protein DsbA [Vibrio cholerae MS6]" 100.00 200 98.90 98.90 2.27e-130 EMBL CAA45977 "DsbA protein [Vibrio cholerae]" 100.00 200 98.34 98.90 1.07e-129 GB AAA27568 "disulfide isomerase [Vibrio cholerae]" 100.00 200 98.90 98.90 2.27e-130 GB AAF93212 "thiol:disulfide interchange protein [Vibrio cholerae O1 biovar El Tor str. N16961]" 100.00 200 98.34 98.90 1.07e-129 GB ABQ20372 "thiol:disulfide interchange protein [Vibrio cholerae O395]" 100.00 200 98.90 98.90 2.27e-130 GB ACP04371 "thiol:disulfide interchange protein [Vibrio cholerae M66-2]" 100.00 200 98.90 98.90 2.27e-130 GB ACP08173 "thiol:disulfide interchange protein [Vibrio cholerae O395]" 100.00 200 98.90 98.90 2.27e-130 REF NP_229693 "thiol:disulfide interchange protein [Vibrio cholerae O1 biovar El Tor str. N16961]" 100.00 200 98.34 98.90 1.07e-129 REF WP_000732279 "thiol:disulfide interchange protein [Vibrio cholerae]" 100.00 200 98.34 98.90 1.07e-129 REF WP_000732281 "thiol:disulfide interchange protein [Vibrio cholerae]" 100.00 200 98.34 98.34 3.34e-129 REF WP_000732282 "MULTISPECIES: thiol:disulfide interchange protein [Vibrio]" 100.00 200 98.90 98.90 2.27e-130 REF WP_000732283 "thiol:disulfide interchange protein [Vibrio cholerae]" 100.00 200 98.34 98.34 1.49e-129 SP P32557 "RecName: Full=Thiol:disulfide interchange protein DsbA; Flags: Precursor [Vibrio cholerae O1 biovar El Tor str. N16961]" 100.00 200 98.34 98.90 1.07e-129 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $DsbA cholera 666 Eukaryota 'Not applicable' Vibrio cholerae 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 $DsbA 'recombinant technology' 'E. coli' . . 'BL21 DE3 PLYSS' plasmid pKc-type stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample-DsbA-reduced _Saveframe_category sample _Sample_type solution _Details '10mM HEPES 50mM NaCl pH 6.8' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $DsbA 0.3 mM '[U-95% 13C; U-90% 15N]' HEPES 10 mM . NaCl 50 mM . stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address UCSF . . stop_ loop_ _Task 'data visualisation' stop_ _Details 'data visualisation' save_ save_NMRPIPE _Saveframe_category software _Name NMRPIPE _Version . loop_ _Vendor _Address _Electronic_address NIH . . stop_ loop_ _Task 'data processing' stop_ _Details 'data processing' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_VARIAN600 _Saveframe_category NMR_spectrometer _Manufacturer VARIAN _Model AVANCE _Field_strength 600 _Details 'RT probe' save_ save_BRUKER500 _Saveframe_category NMR_spectrometer _Manufacturer BRUKER _Model DRX _Field_strength 500 _Details cryoprobe save_ ############################# # NMR applied experiments # ############################# save_13C_1H-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 13C_1H-HSQC _Sample_label $sample-DsbA-reduced save_ save_15N_1H-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name 15N_1H-HSQC _Sample_label $sample-DsbA-reduced save_ save_CBCACONNH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONNH _Sample_label $sample-DsbA-reduced save_ save_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample-DsbA-reduced save_ save_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample-DsbA-reduced save_ save_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample-DsbA-reduced save_ save_HNCACO_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACO _Sample_label $sample-DsbA-reduced save_ save_CCONHTOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name CCONHTOCSY _Sample_label $sample-DsbA-reduced save_ save_HCCONHTOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name HCCONHTOCSY _Sample_label $sample-DsbA-reduced save_ save_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label $sample-DsbA-reduced save_ save_13C-NOESY-HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-NOESY-HSQC _Sample_label $sample-DsbA-reduced save_ save_13C_1H-HSQC _Saveframe_category NMR_applied_experiment _Experiment_name 13C_1H-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_15N_1H-HSQC _Saveframe_category NMR_applied_experiment _Experiment_name 15N_1H-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_CBCACONNH _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONNH _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCACB _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCA _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCO _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCACO _Saveframe_category NMR_applied_experiment _Experiment_name HNCACO _BMRB_pulse_sequence_accession_number . _Details . save_ save_CCONHTOCSY _Saveframe_category NMR_applied_experiment _Experiment_name CCONHTOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_HCCONHTOCSY _Saveframe_category NMR_applied_experiment _Experiment_name HCCONHTOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_HCCH-TOCSY _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_13C-NOESY-HSQC _Saveframe_category NMR_applied_experiment _Experiment_name 13C-NOESY-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details '300uM DsbA in 10mM HEPES 50mM NaCl pH 6.8 at 300K' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 300 0.2 K pH 6.8 . pH stop_ save_ save_conditions_2 _Saveframe_category sample_conditions _Details '300uM DsbA in 10mM HEPES 50mM NaCl pH 6.8 at 300K' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 320 0.2 K pH 6.8 . pH stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.0 . 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_Dsba-reduced _Saveframe_category assigned_chemical_shifts _Details 'Dsba in the disulphide-reduced form' loop_ _Software_label $SPARKY $NMRPIPE stop_ loop_ _Sample_label $sample-DsbA-reduced stop_ _Sample_conditions_label $conditions_2 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name DsbA _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 ALA CA C 50.372 0.400 1 2 1 1 ALA CB C 16.320 0.400 1 3 2 2 GLN H H 7.957 0.040 1 4 2 2 GLN HA H 4.112 0.040 1 5 2 2 GLN HB2 H 1.785 0.040 2 6 2 2 GLN HB3 H 1.793 0.040 2 7 2 2 GLN HG2 H 2.144 0.040 2 8 2 2 GLN HG3 H 1.961 0.040 2 9 2 2 GLN CA C 53.263 0.400 1 10 2 2 GLN CB C 26.749 0.400 1 11 2 2 GLN CG C 30.862 0.400 1 12 2 2 GLN N N 118.156 0.400 1 13 3 3 PHE H H 7.242 0.040 1 14 3 3 PHE HA H 4.751 0.040 1 15 3 3 PHE HB2 H 2.870 0.040 2 16 3 3 PHE HB3 H 2.446 0.040 2 17 3 3 PHE HD1 H 6.208 0.040 1 18 3 3 PHE HD2 H 6.208 0.040 1 19 3 3 PHE HZ H 6.222 0.040 1 20 3 3 PHE CA C 53.336 0.400 1 21 3 3 PHE CB C 37.638 0.400 1 22 3 3 PHE N N 119.840 0.400 1 23 4 4 LYS H H 11.595 0.040 1 24 4 4 LYS HA H 4.971 0.040 1 25 4 4 LYS HB2 H 2.101 0.040 2 26 4 4 LYS HB3 H 2.053 0.040 2 27 4 4 LYS HG2 H 1.664 0.040 1 28 4 4 LYS HG3 H 1.664 0.040 1 29 4 4 LYS HD2 H 1.917 0.040 1 30 4 4 LYS HD3 H 1.917 0.040 1 31 4 4 LYS HE2 H 3.177 0.040 1 32 4 4 LYS HE3 H 3.177 0.040 1 33 4 4 LYS CA C 53.030 0.400 1 34 4 4 LYS CB C 33.556 0.400 1 35 4 4 LYS CG C 22.216 0.400 1 36 4 4 LYS CD C 26.688 0.400 1 37 4 4 LYS CE C 39.857 0.400 1 38 4 4 LYS N N 127.256 0.400 1 39 5 5 GLU H H 9.030 0.040 1 40 5 5 GLU HA H 2.851 0.040 1 41 5 5 GLU HB2 H 2.093 0.040 2 42 5 5 GLU HB3 H 2.007 0.040 2 43 5 5 GLU HG2 H 2.276 0.040 1 44 5 5 GLU HG3 H 2.276 0.040 1 45 5 5 GLU CA C 54.997 0.400 1 46 5 5 GLU CB C 26.612 0.400 1 47 5 5 GLU CG C 33.837 0.400 1 48 5 5 GLU N N 129.456 0.400 1 49 6 6 GLY H H 8.961 0.040 1 50 6 6 GLY HA2 H 4.607 0.040 2 51 6 6 GLY HA3 H 3.769 0.040 2 52 6 6 GLY CA C 43.038 0.400 1 53 6 6 GLY N N 116.500 0.400 1 54 7 7 GLU H H 7.595 0.040 1 55 7 7 GLU HA H 4.444 0.040 1 56 7 7 GLU HB2 H 1.929 0.040 2 57 7 7 GLU HB3 H 1.867 0.040 2 58 7 7 GLU HG2 H 2.022 0.040 2 59 7 7 GLU HG3 H 1.620 0.040 2 60 7 7 GLU CA C 54.821 0.400 1 61 7 7 GLU CB C 28.803 0.400 1 62 7 7 GLU CG C 32.536 0.400 1 63 7 7 GLU N N 120.634 0.400 1 64 8 8 HIS H H 8.608 0.040 1 65 8 8 HIS HA H 5.087 0.040 1 66 8 8 HIS HB2 H 3.812 0.040 2 67 8 8 HIS HB3 H 3.211 0.040 2 68 8 8 HIS CA C 56.724 0.400 1 69 8 8 HIS CB C 30.675 0.400 1 70 8 8 HIS N N 114.842 0.400 1 71 9 9 TYR H H 7.397 0.040 1 72 9 9 TYR HA H 5.725 0.040 1 73 9 9 TYR HB2 H 3.305 0.040 2 74 9 9 TYR HB3 H 3.052 0.040 2 75 9 9 TYR HD1 H 7.175 0.040 1 76 9 9 TYR HD2 H 7.175 0.040 1 77 9 9 TYR CA C 53.060 0.400 1 78 9 9 TYR CB C 37.889 0.400 1 79 9 9 TYR N N 110.606 0.400 1 80 10 10 GLN H H 9.342 0.040 1 81 10 10 GLN HA H 5.139 0.040 1 82 10 10 GLN HB2 H 2.299 0.040 2 83 10 10 GLN HB3 H 2.046 0.040 2 84 10 10 GLN HG2 H 2.480 0.040 2 85 10 10 GLN HG3 H 2.426 0.040 2 86 10 10 GLN CA C 51.100 0.400 1 87 10 10 GLN CB C 29.878 0.400 1 88 10 10 GLN CG C 30.737 0.400 1 89 10 10 GLN N N 119.601 0.400 1 90 11 11 VAL H H 9.383 0.040 1 91 11 11 VAL HA H 4.734 0.040 1 92 11 11 VAL HB H 2.275 0.040 1 93 11 11 VAL HG1 H 1.431 0.040 2 94 11 11 VAL HG2 H 1.211 0.040 2 95 11 11 VAL CA C 60.394 0.400 1 96 11 11 VAL CB C 29.503 0.400 1 97 11 11 VAL CG1 C 19.559 0.400 1 98 11 11 VAL CG2 C 18.890 0.400 1 99 11 11 VAL N N 125.702 0.400 1 100 12 12 LEU H H 9.374 0.040 1 101 12 12 LEU HA H 4.714 0.040 1 102 12 12 LEU HB2 H 1.939 0.040 2 103 12 12 LEU HB3 H 1.834 0.040 2 104 12 12 LEU HG H 1.836 0.040 1 105 12 12 LEU HD1 H 0.956 0.040 1 106 12 12 LEU HD2 H 0.999 0.040 1 107 12 12 LEU CA C 51.341 0.400 1 108 12 12 LEU CB C 40.498 0.400 1 109 12 12 LEU CG C 24.263 0.400 1 110 12 12 LEU CD1 C 23.510 0.400 1 111 12 12 LEU CD2 C 18.673 0.400 1 112 12 12 LEU N N 128.926 0.400 1 113 13 13 LYS H H 8.446 0.040 1 114 13 13 LYS HA H 4.479 0.040 1 115 13 13 LYS HB2 H 2.099 0.040 2 116 13 13 LYS HB3 H 1.943 0.040 2 117 13 13 LYS HG2 H 1.617 0.040 1 118 13 13 LYS HG3 H 1.617 0.040 1 119 13 13 LYS HD2 H 1.859 0.040 1 120 13 13 LYS HD3 H 1.859 0.040 1 121 13 13 LYS HE2 H 3.186 0.040 1 122 13 13 LYS HE3 H 3.186 0.040 1 123 13 13 LYS CA C 53.669 0.400 1 124 13 13 LYS CB C 29.132 0.400 1 125 13 13 LYS CG C 22.262 0.400 1 126 13 13 LYS CD C 26.418 0.400 1 127 13 13 LYS N N 117.561 0.400 1 128 14 14 THR H H 7.553 0.040 1 129 14 14 THR HA H 4.561 0.040 1 130 14 14 THR HB H 4.340 0.040 1 131 14 14 THR HG2 H 1.307 0.040 1 132 14 14 THR CA C 56.062 0.400 1 133 14 14 THR CB C 66.257 0.400 1 134 14 14 THR CG2 C 21.277 0.400 1 135 14 14 THR N N 111.911 0.400 1 136 15 15 PRO HA H 4.580 0.040 1 137 15 15 PRO HB2 H 2.413 0.040 2 138 15 15 PRO HB3 H 2.027 0.040 2 139 15 15 PRO HG2 H 2.158 0.040 1 140 15 15 PRO HG3 H 2.158 0.040 1 141 15 15 PRO HD2 H 3.893 0.040 2 142 15 15 PRO HD3 H 3.721 0.040 2 143 15 15 PRO CA C 59.627 0.400 1 144 15 15 PRO CB C 29.592 0.400 1 145 15 15 PRO CG C 24.875 0.400 1 146 15 15 PRO CD C 48.001 0.400 1 147 16 16 ALA H H 8.448 0.040 1 148 16 16 ALA HA H 4.729 0.040 1 149 16 16 ALA HB H 1.609 0.040 1 150 16 16 ALA CA C 49.040 0.400 1 151 16 16 ALA CB C 16.720 0.400 1 152 16 16 ALA N N 122.190 0.400 1 153 17 17 SER H H 7.838 0.040 1 154 17 17 SER HA H 4.478 0.040 1 155 17 17 SER HB2 H 4.272 0.040 2 156 17 17 SER HB3 H 3.754 0.040 2 157 17 17 SER CA C 55.353 0.400 1 158 17 17 SER CB C 61.827 0.400 1 159 17 17 SER N N 114.983 0.400 1 160 18 18 SER H H 8.555 0.040 1 161 18 18 SER CA C 56.857 0.400 1 162 18 18 SER CB C 61.130 0.400 1 163 18 18 SER N N 122.184 0.400 1 164 19 19 SER H H 7.716 0.040 1 165 19 19 SER HA H 5.047 0.040 1 166 19 19 SER HB2 H 3.992 0.040 1 167 19 19 SER HB3 H 3.992 0.040 1 168 19 19 SER CA C 53.633 0.400 1 169 19 19 SER CB C 61.351 0.400 1 170 19 19 SER N N 116.090 0.400 1 171 20 20 PRO HA H 5.188 0.040 1 172 20 20 PRO HB2 H 2.566 0.040 2 173 20 20 PRO HB3 H 2.032 0.040 2 174 20 20 PRO HG2 H 2.288 0.040 2 175 20 20 PRO HG3 H 2.151 0.040 2 176 20 20 PRO HD2 H 3.945 0.040 2 177 20 20 PRO HD3 H 3.877 0.040 2 178 20 20 PRO CA C 60.782 0.400 1 179 20 20 PRO CB C 29.626 0.400 1 180 20 20 PRO CG C 25.116 0.400 1 181 20 20 PRO CD C 48.623 0.400 1 182 21 21 VAL H H 9.139 0.040 1 183 21 21 VAL HA H 5.339 0.040 1 184 21 21 VAL HB H 2.211 0.040 1 185 21 21 VAL HG1 H 1.167 0.040 1 186 21 21 VAL HG2 H 0.978 0.040 1 187 21 21 VAL CA C 57.291 0.400 1 188 21 21 VAL CB C 33.013 0.400 1 189 21 21 VAL CG1 C 16.851 0.400 1 190 21 21 VAL CG2 C 18.398 0.400 1 191 21 21 VAL N N 125.049 0.400 1 192 22 22 VAL H H 8.992 0.040 1 193 22 22 VAL HA H 4.766 0.040 1 194 22 22 VAL HB H 2.240 0.040 1 195 22 22 VAL HG1 H 1.143 0.040 1 196 22 22 VAL HG2 H 1.175 0.040 1 197 22 22 VAL CA C 57.059 0.400 1 198 22 22 VAL CB C 31.654 0.400 1 199 22 22 VAL CG1 C 19.182 0.400 1 200 22 22 VAL CG2 C 20.674 0.400 1 201 22 22 VAL N N 126.799 0.400 1 202 23 23 SER H H 9.435 0.040 1 203 23 23 SER HA H 5.586 0.040 1 204 23 23 SER HB2 H 3.649 0.040 2 205 23 23 SER HB3 H 3.402 0.040 2 206 23 23 SER CA C 53.085 0.400 1 207 23 23 SER CB C 62.622 0.400 1 208 23 23 SER N N 121.289 0.400 1 209 24 24 GLU H H 8.553 0.040 1 210 24 24 GLU HA H 5.829 0.040 1 211 24 24 GLU CA C 50.386 0.400 1 212 24 24 GLU CB C 28.467 0.400 1 213 24 24 GLU N N 121.986 0.400 1 214 25 25 PHE H H 9.839 0.040 1 215 25 25 PHE HA H 5.633 0.040 1 216 25 25 PHE HB2 H 3.284 0.040 2 217 25 25 PHE HB3 H 3.051 0.040 2 218 25 25 PHE HE1 H 7.354 0.040 1 219 25 25 PHE HE2 H 7.354 0.040 1 220 25 25 PHE CA C 54.720 0.400 1 221 25 25 PHE CB C 37.913 0.400 1 222 25 25 PHE N N 129.022 0.400 1 223 26 26 PHE H H 9.087 0.040 1 224 26 26 PHE HA H 5.376 0.040 1 225 26 26 PHE HB2 H 3.013 0.040 2 226 26 26 PHE HB3 H 2.937 0.040 2 227 26 26 PHE CA C 52.330 0.400 1 228 26 26 PHE CB C 41.760 0.400 1 229 26 26 PHE N N 122.726 0.400 1 230 27 27 SER H H 7.604 0.040 1 231 27 27 SER HA H 3.507 0.040 1 232 27 27 SER HB2 H 3.411 0.040 1 233 27 27 SER HB3 H 3.411 0.040 1 234 27 27 SER CA C 52.481 0.400 1 235 27 27 SER CB C 62.568 0.400 1 236 27 27 SER N N 112.262 0.400 1 237 28 28 PHE H H 11.191 0.040 1 238 28 28 PHE HA H 4.500 0.040 1 239 28 28 PHE HB2 H 2.812 0.040 2 240 28 28 PHE HB3 H 2.512 0.040 2 241 28 28 PHE CA C 59.397 0.400 1 242 28 28 PHE CB C 36.021 0.400 1 243 28 28 PHE N N 130.550 0.400 1 244 29 29 TYR H H 8.467 0.040 1 245 29 29 TYR HA H 4.361 0.040 1 246 29 29 TYR HB2 H 3.405 0.040 2 247 29 29 TYR HB3 H 2.697 0.040 2 248 29 29 TYR HD1 H 6.851 0.040 1 249 29 29 TYR HD2 H 6.851 0.040 1 250 29 29 TYR HE1 H 7.149 0.040 1 251 29 29 TYR HE2 H 7.149 0.040 1 252 29 29 TYR CA C 58.690 0.400 1 253 29 29 TYR CB C 36.186 0.400 1 254 29 29 TYR N N 113.797 0.400 1 255 30 30 CYS H H 7.732 0.040 1 256 30 30 CYS HA H 5.112 0.040 1 257 30 30 CYS HB2 H 3.361 0.040 2 258 30 30 CYS HB3 H 3.022 0.040 2 259 30 30 CYS CA C 54.417 0.400 1 260 30 30 CYS N N 125.295 0.400 1 261 31 31 PRO CA C 61.644 0.400 1 262 31 31 PRO CB C 29.815 0.400 1 263 32 32 HIS H H 9.579 0.040 1 264 32 32 HIS HA H 4.705 0.040 1 265 32 32 HIS HB2 H 3.435 0.040 2 266 32 32 HIS HB3 H 3.238 0.040 2 267 32 32 HIS CA C 56.077 0.400 1 268 32 32 HIS CB C 27.508 0.400 1 269 32 32 HIS N N 126.715 0.400 1 270 33 33 CYS H H 10.518 0.040 1 271 33 33 CYS HA H 4.260 0.040 1 272 33 33 CYS HB2 H 3.127 0.040 1 273 33 33 CYS HB3 H 3.127 0.040 1 274 33 33 CYS CA C 62.579 0.400 1 275 33 33 CYS CB C 26.597 0.400 1 276 33 33 CYS N N 129.326 0.400 1 277 34 34 ASN H H 7.849 0.040 1 278 34 34 ASN HA H 3.276 0.040 1 279 34 34 ASN HB2 H 2.637 0.040 2 280 34 34 ASN HB3 H 2.025 0.040 2 281 34 34 ASN HD21 H 7.490 0.040 2 282 34 34 ASN HD22 H 6.803 0.040 2 283 34 34 ASN CA C 54.310 0.400 1 284 34 34 ASN CB C 36.023 0.400 1 285 34 34 ASN N N 118.293 0.400 1 286 34 34 ASN ND2 N 113.146 0.400 1 287 35 35 THR H H 7.929 0.040 1 288 35 35 THR HA H 4.048 0.040 1 289 35 35 THR HB H 4.465 0.040 1 290 35 35 THR HG2 H 1.442 0.040 1 291 35 35 THR CA C 62.626 0.400 1 292 35 35 THR CB C 66.388 0.400 1 293 35 35 THR CG2 C 19.915 0.400 1 294 35 35 THR N N 113.430 0.400 1 295 36 36 PHE H H 7.926 0.040 1 296 36 36 PHE HA H 4.744 0.040 1 297 36 36 PHE HB2 H 3.561 0.040 2 298 36 36 PHE HB3 H 2.961 0.040 2 299 36 36 PHE CA C 55.082 0.400 1 300 36 36 PHE CB C 38.330 0.400 1 301 36 36 PHE N N 120.188 0.400 1 302 37 37 GLU H H 7.240 0.040 1 303 37 37 GLU N N 120.009 0.400 1 304 38 38 PRO HA H 4.468 0.040 1 305 38 38 PRO HB2 H 2.470 0.040 2 306 38 38 PRO HB3 H 1.851 0.040 2 307 38 38 PRO HG2 H 2.100 0.040 2 308 38 38 PRO HG3 H 2.069 0.040 2 309 38 38 PRO HD2 H 3.822 0.040 2 310 38 38 PRO HD3 H 3.616 0.040 2 311 38 38 PRO CA C 63.163 0.400 1 312 38 38 PRO CB C 28.691 0.400 1 313 38 38 PRO CG C 25.782 0.400 1 314 38 38 PRO CD C 47.376 0.400 1 315 39 39 ILE H H 7.204 0.040 1 316 39 39 ILE HA H 3.788 0.040 1 317 39 39 ILE HB H 1.615 0.040 1 318 39 39 ILE HG12 H 1.515 0.040 2 319 39 39 ILE HG13 H 1.200 0.040 2 320 39 39 ILE HG2 H 0.643 0.040 1 321 39 39 ILE HD1 H 0.841 0.040 1 322 39 39 ILE CA C 61.643 0.400 1 323 39 39 ILE CB C 33.477 0.400 1 324 39 39 ILE CG1 C 26.313 0.400 1 325 39 39 ILE CG2 C 15.084 0.400 1 326 39 39 ILE CD1 C 9.882 0.400 1 327 39 39 ILE N N 118.254 0.400 1 328 40 40 ILE H H 7.436 0.040 1 329 40 40 ILE HA H 3.662 0.040 1 330 40 40 ILE HB H 2.090 0.040 1 331 40 40 ILE HG12 H 1.325 0.040 1 332 40 40 ILE HG13 H 1.325 0.040 1 333 40 40 ILE HG2 H 0.690 0.040 1 334 40 40 ILE HD1 H 0.825 0.040 1 335 40 40 ILE CA C 58.451 0.400 1 336 40 40 ILE CB C 32.553 0.400 1 337 40 40 ILE CG1 C 24.273 0.400 1 338 40 40 ILE CG2 C 15.972 0.400 1 339 40 40 ILE CD1 C 7.183 0.400 1 340 40 40 ILE N N 121.339 0.400 1 341 41 41 ALA H H 8.205 0.040 1 342 41 41 ALA HA H 3.955 0.040 1 343 41 41 ALA HB H 1.529 0.040 1 344 41 41 ALA CA C 52.693 0.400 1 345 41 41 ALA CB C 15.370 0.400 1 346 41 41 ALA N N 121.137 0.400 1 347 42 42 GLN H H 7.247 0.040 1 348 42 42 GLN HA H 4.129 0.040 1 349 42 42 GLN HB2 H 2.370 0.040 1 350 42 42 GLN HB3 H 2.370 0.040 1 351 42 42 GLN HG2 H 2.660 0.040 2 352 42 42 GLN HG3 H 2.450 0.040 2 353 42 42 GLN CA C 56.118 0.400 1 354 42 42 GLN CB C 26.973 0.400 1 355 42 42 GLN CG C 32.084 0.400 1 356 42 42 GLN N N 116.413 0.400 1 357 43 43 LEU H H 8.729 0.040 1 358 43 43 LEU HA H 3.572 0.040 1 359 43 43 LEU HB2 H 2.171 0.040 2 360 43 43 LEU HB3 H 1.790 0.040 2 361 43 43 LEU HG H 1.647 0.040 1 362 43 43 LEU HD1 H 1.138 0.040 1 363 43 43 LEU HD2 H 1.156 0.040 1 364 43 43 LEU CA C 55.646 0.400 1 365 43 43 LEU CB C 39.723 0.400 1 366 43 43 LEU CG C 24.697 0.400 1 367 43 43 LEU CD1 C 22.184 0.400 1 368 43 43 LEU CD2 C 23.399 0.400 1 369 43 43 LEU N N 122.449 0.400 1 370 44 44 LYS H H 8.226 0.040 1 371 44 44 LYS HA H 3.645 0.040 1 372 44 44 LYS HB2 H 1.677 0.040 2 373 44 44 LYS HB3 H 1.504 0.040 2 374 44 44 LYS HG2 H 1.152 0.040 2 375 44 44 LYS HG3 H 0.987 0.040 2 376 44 44 LYS HD2 H 1.382 0.040 2 377 44 44 LYS HD3 H 1.340 0.040 2 378 44 44 LYS HE2 H 2.878 0.040 2 379 44 44 LYS HE3 H 2.844 0.040 2 380 44 44 LYS CA C 57.200 0.400 1 381 44 44 LYS CB C 29.714 0.400 1 382 44 44 LYS CG C 22.534 0.400 1 383 44 44 LYS CD C 27.203 0.400 1 384 44 44 LYS CE C 39.141 0.400 1 385 44 44 LYS N N 116.202 0.400 1 386 45 45 GLN H H 7.181 0.040 1 387 45 45 GLN HA H 4.304 0.040 1 388 45 45 GLN HB2 H 2.328 0.040 2 389 45 45 GLN HB3 H 2.219 0.040 2 390 45 45 GLN HG2 H 2.625 0.040 2 391 45 45 GLN HG3 H 2.545 0.040 2 392 45 45 GLN CA C 54.605 0.400 1 393 45 45 GLN CB C 26.319 0.400 1 394 45 45 GLN CG C 31.432 0.400 1 395 45 45 GLN N N 115.154 0.400 1 396 46 46 GLN H H 7.547 0.040 1 397 46 46 GLN HA H 4.614 0.040 1 398 46 46 GLN HB2 H 2.137 0.040 2 399 46 46 GLN HB3 H 2.037 0.040 2 400 46 46 GLN HG2 H 2.027 0.040 1 401 46 46 GLN HG3 H 2.027 0.040 1 402 46 46 GLN HE21 H 7.063 0.040 2 403 46 46 GLN HE22 H 6.928 0.040 2 404 46 46 GLN CA C 51.742 0.400 1 405 46 46 GLN CB C 26.428 0.400 1 406 46 46 GLN CG C 29.894 0.400 1 407 46 46 GLN N N 114.954 0.400 1 408 46 46 GLN NE2 N 110.966 0.400 1 409 47 47 LEU H H 7.066 0.040 1 410 47 47 LEU HA H 4.511 0.040 1 411 47 47 LEU HB2 H 1.908 0.040 2 412 47 47 LEU HB3 H 1.462 0.040 2 413 47 47 LEU HG H 2.232 0.040 1 414 47 47 LEU HD1 H 1.037 0.040 1 415 47 47 LEU HD2 H 0.924 0.040 1 416 47 47 LEU CA C 50.747 0.400 1 417 47 47 LEU CB C 38.768 0.400 1 418 47 47 LEU CG C 23.403 0.400 1 419 47 47 LEU CD1 C 23.222 0.400 1 420 47 47 LEU CD2 C 21.141 0.400 1 421 47 47 LEU N N 121.049 0.400 1 422 48 48 PRO HA H 4.611 0.040 1 423 48 48 PRO HB2 H 2.473 0.040 2 424 48 48 PRO HB3 H 2.036 0.040 2 425 48 48 PRO HG2 H 2.180 0.040 2 426 48 48 PRO HG3 H 2.059 0.040 2 427 48 48 PRO HD2 H 4.062 0.040 2 428 48 48 PRO HD3 H 3.340 0.040 2 429 48 48 PRO CA C 59.847 0.400 1 430 48 48 PRO CB C 29.770 0.400 1 431 48 48 PRO CG C 24.804 0.400 1 432 48 48 PRO CD C 47.819 0.400 1 433 49 49 GLU H H 8.565 0.040 1 434 49 49 GLU HA H 4.200 0.040 1 435 49 49 GLU HB2 H 2.177 0.040 2 436 49 49 GLU HB3 H 2.128 0.040 2 437 49 49 GLU HG2 H 2.450 0.040 1 438 49 49 GLU HG3 H 2.450 0.040 1 439 49 49 GLU CA C 55.777 0.400 1 440 49 49 GLU CB C 27.012 0.400 1 441 49 49 GLU CG C 33.583 0.400 1 442 49 49 GLU N N 121.766 0.400 1 443 50 50 GLY H H 8.772 0.040 1 444 50 50 GLY HA2 H 4.390 0.040 2 445 50 50 GLY HA3 H 3.888 0.040 2 446 50 50 GLY CA C 42.559 0.400 1 447 50 50 GLY N N 112.180 0.400 1 448 51 51 ALA H H 7.815 0.040 1 449 51 51 ALA HA H 4.783 0.040 1 450 51 51 ALA HB H 1.475 0.040 1 451 51 51 ALA CA C 48.745 0.400 1 452 51 51 ALA CB C 17.706 0.400 1 453 51 51 ALA N N 122.092 0.400 1 454 52 52 LYS H H 7.853 0.040 1 455 52 52 LYS HA H 4.805 0.040 1 456 52 52 LYS HB2 H 1.994 0.040 2 457 52 52 LYS HB3 H 1.956 0.040 2 458 52 52 LYS HG2 H 1.693 0.040 2 459 52 52 LYS HG3 H 1.602 0.040 2 460 52 52 LYS HD2 H 1.853 0.040 1 461 52 52 LYS HD3 H 1.853 0.040 1 462 52 52 LYS HE2 H 3.159 0.040 1 463 52 52 LYS HE3 H 3.159 0.040 1 464 52 52 LYS CA C 52.420 0.400 1 465 52 52 LYS CB C 32.582 0.400 1 466 52 52 LYS CG C 22.595 0.400 1 467 52 52 LYS N N 121.637 0.400 1 468 53 53 PHE H H 8.724 0.040 1 469 53 53 PHE HA H 5.744 0.040 1 470 53 53 PHE HB2 H 3.137 0.040 2 471 53 53 PHE HB3 H 2.948 0.040 2 472 53 53 PHE HD1 H 7.178 0.040 1 473 53 53 PHE HD2 H 7.178 0.040 1 474 53 53 PHE HE1 H 7.178 0.040 1 475 53 53 PHE HE2 H 7.178 0.040 1 476 53 53 PHE HZ H 7.178 0.040 1 477 53 53 PHE CA C 53.880 0.400 1 478 53 53 PHE CB C 39.344 0.400 1 479 53 53 PHE N N 122.459 0.400 1 480 54 54 GLN H H 8.521 0.040 1 481 54 54 GLN HA H 4.581 0.040 1 482 54 54 GLN HB2 H 1.996 0.040 2 483 54 54 GLN HB3 H 1.863 0.040 2 484 54 54 GLN HG2 H 2.306 0.040 2 485 54 54 GLN HG3 H 2.176 0.040 2 486 54 54 GLN CA C 51.677 0.400 1 487 54 54 GLN CB C 29.402 0.400 1 488 54 54 GLN CG C 31.130 0.400 1 489 54 54 GLN N N 127.856 0.400 1 490 55 55 LYS H H 8.549 0.040 1 491 55 55 LYS CA C 52.569 0.400 1 492 55 55 LYS CB C 32.857 0.400 1 493 55 55 LYS N N 126.844 0.400 1 494 56 56 ASN H H 8.717 0.040 1 495 56 56 ASN HA H 4.166 0.040 1 496 56 56 ASN HB2 H 2.178 0.040 2 497 56 56 ASN HB3 H 2.090 0.040 2 498 56 56 ASN CA C 49.431 0.400 1 499 56 56 ASN CB C 39.854 0.400 1 500 56 56 ASN N N 119.928 0.400 1 501 57 57 HIS H H 11.389 0.040 1 502 57 57 HIS HA H 4.111 0.040 1 503 57 57 HIS HB2 H 3.014 0.040 2 504 57 57 HIS HB3 H 2.506 0.040 2 505 57 57 HIS CA C 54.177 0.400 1 506 57 57 HIS CB C 27.758 0.400 1 507 57 57 HIS N N 112.645 0.400 1 508 58 58 VAL H H 7.338 0.040 1 509 58 58 VAL HA H 4.973 0.040 1 510 58 58 VAL HB H 1.932 0.040 1 511 58 58 VAL HG1 H 0.638 0.040 1 512 58 58 VAL HG2 H 0.271 0.040 1 513 58 58 VAL CA C 56.607 0.400 1 514 58 58 VAL CB C 30.311 0.400 1 515 58 58 VAL CG1 C 19.461 0.400 1 516 58 58 VAL CG2 C 16.244 0.400 1 517 58 58 VAL N N 117.384 0.400 1 518 59 59 SER H H 9.904 0.040 1 519 59 59 SER HB2 H 4.054 0.040 1 520 59 59 SER HB3 H 4.054 0.040 1 521 59 59 SER CA C 56.974 0.400 1 522 59 59 SER CB C 60.915 0.400 1 523 59 59 SER N N 117.855 0.400 1 524 60 60 PHE H H 6.939 0.040 1 525 60 60 PHE HA H 4.593 0.040 1 526 60 60 PHE HB2 H 3.403 0.040 2 527 60 60 PHE HB3 H 3.345 0.040 2 528 60 60 PHE CA C 56.519 0.400 1 529 60 60 PHE CB C 35.524 0.400 1 530 60 60 PHE N N 115.280 0.400 1 531 61 61 MET H H 6.705 0.040 1 532 61 61 MET HE H 2.282 0.040 1 533 61 61 MET CA C 52.391 0.400 1 534 61 61 MET CB C 31.947 0.400 1 535 61 61 MET CE C 15.034 0.400 1 536 61 61 MET N N 118.907 0.400 1 537 62 62 GLY H H 8.543 0.040 1 538 62 62 GLY HA2 H 3.500 0.040 2 539 62 62 GLY HA3 H 2.836 0.040 2 540 62 62 GLY CA C 41.130 0.400 1 541 62 62 GLY N N 108.252 0.400 1 542 63 63 GLY H H 8.580 0.040 1 543 63 63 GLY HA2 H 4.064 0.040 2 544 63 63 GLY HA3 H 3.970 0.040 2 545 63 63 GLY CA C 43.643 0.400 1 546 63 63 GLY N N 111.539 0.400 1 547 64 64 ASN HA H 4.747 0.040 1 548 64 64 ASN HB2 H 3.150 0.040 2 549 64 64 ASN HB3 H 3.093 0.040 2 550 64 64 ASN CA C 52.870 0.400 1 551 64 64 ASN CB C 35.028 0.400 1 552 65 65 MET H H 7.810 0.040 1 553 65 65 MET HA H 5.151 0.040 1 554 65 65 MET HB2 H 2.765 0.040 2 555 65 65 MET HB3 H 2.183 0.040 2 556 65 65 MET HG2 H 2.909 0.040 2 557 65 65 MET HG3 H 2.523 0.040 2 558 65 65 MET HE H 1.907 0.040 1 559 65 65 MET CA C 51.525 0.400 1 560 65 65 MET CB C 29.019 0.400 1 561 65 65 MET CG C 30.129 0.400 1 562 65 65 MET CE C 13.366 0.400 1 563 65 65 MET N N 117.966 0.400 1 564 66 66 GLY H H 7.910 0.040 1 565 66 66 GLY HA2 H 4.545 0.040 2 566 66 66 GLY HA3 H 4.167 0.040 2 567 66 66 GLY CA C 47.167 0.400 1 568 66 66 GLY N N 110.005 0.400 1 569 67 67 GLN H H 8.461 0.040 1 570 67 67 GLN HA H 4.404 0.040 1 571 67 67 GLN HB2 H 2.360 0.040 1 572 67 67 GLN HB3 H 2.360 0.040 1 573 67 67 GLN HG2 H 2.657 0.040 2 574 67 67 GLN HG3 H 2.519 0.040 2 575 67 67 GLN CA C 56.762 0.400 1 576 67 67 GLN CB C 25.661 0.400 1 577 67 67 GLN CG C 31.942 0.400 1 578 67 67 GLN N N 120.388 0.400 1 579 68 68 ALA H H 8.050 0.040 1 580 68 68 ALA HA H 4.369 0.040 1 581 68 68 ALA HB H 1.801 0.040 1 582 68 68 ALA CA C 52.490 0.400 1 583 68 68 ALA CB C 15.892 0.400 1 584 68 68 ALA N N 122.864 0.400 1 585 69 69 MET H H 8.973 0.040 1 586 69 69 MET HA H 4.816 0.040 1 587 69 69 MET HB2 H 2.684 0.040 1 588 69 69 MET HB3 H 2.684 0.040 1 589 69 69 MET HG2 H 2.802 0.040 1 590 69 69 MET HG3 H 2.802 0.040 1 591 69 69 MET HE H 1.908 0.040 1 592 69 69 MET CA C 53.660 0.400 1 593 69 69 MET CB C 27.974 0.400 1 594 69 69 MET CG C 31.233 0.400 1 595 69 69 MET CE C 14.459 0.400 1 596 69 69 MET N N 118.924 0.400 1 597 70 70 SER H H 8.583 0.040 1 598 70 70 SER HA H 4.614 0.040 1 599 70 70 SER CA C 59.725 0.400 1 600 70 70 SER CB C 60.717 0.400 1 601 70 70 SER N N 118.410 0.400 1 602 71 71 LYS H H 8.771 0.040 1 603 71 71 LYS HA H 3.898 0.040 1 604 71 71 LYS HB2 H 2.217 0.040 2 605 71 71 LYS HB3 H 1.346 0.040 2 606 71 71 LYS HG2 H 1.853 0.040 2 607 71 71 LYS HG3 H 1.115 0.040 2 608 71 71 LYS HD2 H 1.581 0.040 2 609 71 71 LYS HD3 H 1.444 0.040 2 610 71 71 LYS HE2 H 2.621 0.040 2 611 71 71 LYS HE3 H 2.432 0.040 2 612 71 71 LYS CA C 57.728 0.400 1 613 71 71 LYS CB C 29.782 0.400 1 614 71 71 LYS CG C 24.597 0.400 1 615 71 71 LYS CD C 26.681 0.400 1 616 71 71 LYS CE C 39.327 0.400 1 617 71 71 LYS N N 122.803 0.400 1 618 72 72 ALA H H 9.537 0.040 1 619 72 72 ALA HA H 4.371 0.040 1 620 72 72 ALA HB H 2.170 0.040 1 621 72 72 ALA CA C 53.207 0.400 1 622 72 72 ALA CB C 15.955 0.400 1 623 72 72 ALA N N 125.935 0.400 1 624 73 73 TYR H H 8.730 0.040 1 625 73 73 TYR HA H 5.041 0.040 1 626 73 73 TYR HB2 H 3.498 0.040 2 627 73 73 TYR HB3 H 3.239 0.040 2 628 73 73 TYR HD1 H 7.051 0.040 1 629 73 73 TYR HD2 H 7.051 0.040 1 630 73 73 TYR HE1 H 7.051 0.040 1 631 73 73 TYR HE2 H 7.051 0.040 1 632 73 73 TYR CA C 55.685 0.400 1 633 73 73 TYR CB C 35.721 0.400 1 634 73 73 TYR N N 119.907 0.400 1 635 74 74 ALA H H 8.784 0.040 1 636 74 74 ALA HA H 4.222 0.040 1 637 74 74 ALA HB H 2.122 0.040 1 638 74 74 ALA CA C 52.649 0.400 1 639 74 74 ALA CB C 17.799 0.400 1 640 74 74 ALA N N 120.111 0.400 1 641 75 75 THR H H 8.664 0.040 1 642 75 75 THR HA H 3.718 0.040 1 643 75 75 THR HB H 4.589 0.040 1 644 75 75 THR HG2 H 0.996 0.040 1 645 75 75 THR CA C 65.571 0.400 1 646 75 75 THR CB C 64.582 0.400 1 647 75 75 THR CG2 C 19.427 0.400 1 648 75 75 THR N N 117.177 0.400 1 649 76 76 MET H H 8.350 0.040 1 650 76 76 MET HA H 4.141 0.040 1 651 76 76 MET HB2 H 2.870 0.040 2 652 76 76 MET HB3 H 1.710 0.040 2 653 76 76 MET HG2 H 2.589 0.040 1 654 76 76 MET HG3 H 2.589 0.040 1 655 76 76 MET HE H 1.916 0.040 1 656 76 76 MET CA C 57.368 0.400 1 657 76 76 MET CB C 28.826 0.400 1 658 76 76 MET CG C 31.446 0.400 1 659 76 76 MET CE C 16.629 0.400 1 660 76 76 MET N N 121.373 0.400 1 661 77 77 ILE H H 7.409 0.040 1 662 77 77 ILE HA H 3.951 0.040 1 663 77 77 ILE HB H 2.184 0.040 1 664 77 77 ILE HG12 H 1.398 0.040 2 665 77 77 ILE HG13 H 1.128 0.040 2 666 77 77 ILE HG2 H 1.106 0.040 1 667 77 77 ILE HD1 H 1.154 0.040 1 668 77 77 ILE CA C 62.080 0.400 1 669 77 77 ILE CB C 35.161 0.400 1 670 77 77 ILE CG1 C 24.739 0.400 1 671 77 77 ILE CG2 C 14.519 0.400 1 672 77 77 ILE CD1 C 11.380 0.400 1 673 77 77 ILE N N 117.512 0.400 1 674 78 78 ALA H H 8.590 0.040 1 675 78 78 ALA HA H 4.248 0.040 1 676 78 78 ALA HB H 1.559 0.040 1 677 78 78 ALA CA C 52.624 0.400 1 678 78 78 ALA CB C 15.584 0.400 1 679 78 78 ALA N N 124.197 0.400 1 680 79 79 LEU H H 8.320 0.040 1 681 79 79 LEU HA H 4.537 0.040 1 682 79 79 LEU HB2 H 1.983 0.040 1 683 79 79 LEU HB3 H 1.983 0.040 1 684 79 79 LEU HG H 1.026 0.040 1 685 79 79 LEU CA C 52.005 0.400 1 686 79 79 LEU CB C 40.552 0.400 1 687 79 79 LEU CG C 23.852 0.400 1 688 79 79 LEU CD1 C 20.014 0.400 1 689 79 79 LEU CD2 C 20.014 0.400 1 690 79 79 LEU N N 113.853 0.400 1 691 80 80 GLU H H 8.097 0.040 1 692 80 80 GLU HA H 4.493 0.040 1 693 80 80 GLU HB2 H 2.502 0.040 2 694 80 80 GLU HB3 H 2.498 0.040 2 695 80 80 GLU HG2 H 2.492 0.040 2 696 80 80 GLU HG3 H 2.366 0.040 2 697 80 80 GLU CA C 54.833 0.400 1 698 80 80 GLU CB C 24.296 0.400 1 699 80 80 GLU CG C 34.667 0.400 1 700 80 80 GLU N N 116.666 0.400 1 701 81 81 VAL H H 8.512 0.040 1 702 81 81 VAL HA H 5.316 0.040 1 703 81 81 VAL HB H 2.806 0.040 1 704 81 81 VAL HG1 H 1.169 0.040 1 705 81 81 VAL HG2 H 1.141 0.040 1 706 81 81 VAL CA C 56.966 0.400 1 707 81 81 VAL CB C 29.807 0.400 1 708 81 81 VAL CG1 C 17.800 0.400 1 709 81 81 VAL CG2 C 17.759 0.400 1 710 81 81 VAL N N 108.017 0.400 1 711 82 82 GLU H H 8.814 0.040 1 712 82 82 GLU HA H 4.014 0.040 1 713 82 82 GLU HB2 H 2.355 0.040 2 714 82 82 GLU HB3 H 2.131 0.040 2 715 82 82 GLU HG2 H 2.478 0.040 2 716 82 82 GLU HG3 H 2.349 0.040 2 717 82 82 GLU CA C 58.975 0.400 1 718 82 82 GLU CB C 27.715 0.400 1 719 82 82 GLU CG C 34.714 0.400 1 720 82 82 GLU N N 125.518 0.400 1 721 83 83 ASP H H 8.670 0.040 1 722 83 83 ASP HA H 4.367 0.040 1 723 83 83 ASP HB2 H 2.841 0.040 1 724 83 83 ASP HB3 H 2.841 0.040 1 725 83 83 ASP CA C 54.958 0.400 1 726 83 83 ASP CB C 37.334 0.400 1 727 83 83 ASP N N 116.390 0.400 1 728 84 84 LYS H H 7.511 0.040 1 729 84 84 LYS HA H 4.538 0.040 1 730 84 84 LYS HB2 H 2.075 0.040 2 731 84 84 LYS HB3 H 1.915 0.040 2 732 84 84 LYS HG2 H 1.646 0.040 2 733 84 84 LYS HG3 H 1.480 0.040 2 734 84 84 LYS HD2 H 1.897 0.040 1 735 84 84 LYS HD3 H 1.897 0.040 1 736 84 84 LYS HE2 H 3.248 0.040 1 737 84 84 LYS HE3 H 3.248 0.040 1 738 84 84 LYS CA C 54.720 0.400 1 739 84 84 LYS CB C 31.538 0.400 1 740 84 84 LYS CG C 22.176 0.400 1 741 84 84 LYS CD C 26.759 0.400 1 742 84 84 LYS CE C 39.686 0.400 1 743 84 84 LYS N N 116.685 0.400 1 744 85 85 MET H H 8.554 0.040 1 745 85 85 MET HA H 4.874 0.040 1 746 85 85 MET HB2 H 2.361 0.040 2 747 85 85 MET HB3 H 1.877 0.040 2 748 85 85 MET HG2 H 2.576 0.040 2 749 85 85 MET HG3 H 1.903 0.040 2 750 85 85 MET HE H 1.083 0.040 1 751 85 85 MET CA C 52.187 0.400 1 752 85 85 MET CB C 27.409 0.400 1 753 85 85 MET CE C 10.690 0.400 1 754 85 85 MET N N 113.214 0.400 1 755 86 86 VAL H H 8.841 0.040 1 756 86 86 VAL HA H 4.378 0.040 1 757 86 86 VAL HB H 2.897 0.040 1 758 86 86 VAL HG1 H 1.802 0.040 1 759 86 86 VAL HG2 H 1.454 0.040 1 760 86 86 VAL CA C 66.372 0.400 1 761 86 86 VAL CB C 27.178 0.400 1 762 86 86 VAL CG1 C 23.221 0.400 1 763 86 86 VAL CG2 C 20.001 0.400 1 764 86 86 VAL N N 122.223 0.400 1 765 87 87 PRO HA H 4.877 0.040 1 766 87 87 PRO HB2 H 2.607 0.040 2 767 87 87 PRO HB3 H 2.137 0.040 2 768 87 87 PRO HG2 H 2.390 0.040 2 769 87 87 PRO HG3 H 2.307 0.040 2 770 87 87 PRO HD2 H 3.918 0.040 1 771 87 87 PRO HD3 H 3.918 0.040 1 772 87 87 PRO CA C 63.300 0.400 1 773 87 87 PRO CB C 28.274 0.400 1 774 87 87 PRO CD C 47.380 0.400 1 775 88 88 VAL H H 6.754 0.040 1 776 88 88 VAL HA H 3.861 0.040 1 777 88 88 VAL HB H 2.175 0.040 1 778 88 88 VAL HG1 H 1.197 0.040 1 779 88 88 VAL HG2 H 0.907 0.040 1 780 88 88 VAL CA C 63.533 0.400 1 781 88 88 VAL CB C 29.712 0.400 1 782 88 88 VAL CG1 C 20.053 0.400 1 783 88 88 VAL CG2 C 18.614 0.400 1 784 88 88 VAL N N 116.913 0.400 1 785 89 89 MET H H 8.341 0.040 1 786 89 89 MET HA H 4.316 0.040 1 787 89 89 MET HB2 H 1.315 0.040 1 788 89 89 MET HB3 H 1.315 0.040 1 789 89 89 MET HG2 H 1.604 0.040 2 790 89 89 MET HG3 H 1.326 0.040 2 791 89 89 MET HE H 1.604 0.040 1 792 89 89 MET CA C 54.379 0.400 1 793 89 89 MET CB C 27.568 0.400 1 794 89 89 MET CG C 29.349 0.400 1 795 89 89 MET CE C 13.934 0.400 1 796 89 89 MET N N 121.176 0.400 1 797 90 90 PHE H H 8.369 0.040 1 798 90 90 PHE HA H 4.804 0.040 1 799 90 90 PHE HB2 H 3.882 0.040 2 800 90 90 PHE HB3 H 3.262 0.040 2 801 90 90 PHE CA C 61.234 0.400 1 802 90 90 PHE CB C 36.376 0.400 1 803 90 90 PHE N N 117.004 0.400 1 804 91 91 ASN H H 8.561 0.040 1 805 91 91 ASN HA H 4.770 0.040 1 806 91 91 ASN HB2 H 3.162 0.040 2 807 91 91 ASN HB3 H 3.012 0.040 2 808 91 91 ASN HD21 H 7.929 0.040 2 809 91 91 ASN HD22 H 7.088 0.040 2 810 91 91 ASN CA C 54.328 0.400 1 811 91 91 ASN CB C 36.924 0.400 1 812 91 91 ASN N N 116.941 0.400 1 813 91 91 ASN ND2 N 113.570 0.400 1 814 92 92 ARG H H 8.739 0.040 1 815 92 92 ARG HA H 4.018 0.040 1 816 92 92 ARG HB2 H 2.189 0.040 2 817 92 92 ARG HB3 H 2.090 0.040 2 818 92 92 ARG HG2 H 1.743 0.040 1 819 92 92 ARG HG3 H 1.743 0.040 1 820 92 92 ARG HD2 H 3.316 0.040 2 821 92 92 ARG HD3 H 3.270 0.040 2 822 92 92 ARG CA C 55.853 0.400 1 823 92 92 ARG CB C 27.196 0.400 1 824 92 92 ARG CD C 40.245 0.400 1 825 92 92 ARG N N 122.009 0.400 1 826 93 93 ILE H H 7.461 0.040 1 827 93 93 ILE HA H 3.392 0.040 1 828 93 93 ILE HB H 1.607 0.040 1 829 93 93 ILE HG12 H 1.749 0.040 2 830 93 93 ILE HG13 H 0.710 0.040 2 831 93 93 ILE HG2 H 0.361 0.040 1 832 93 93 ILE HD1 H 0.440 0.040 1 833 93 93 ILE CA C 62.896 0.400 1 834 93 93 ILE CB C 37.600 0.400 1 835 93 93 ILE CG1 C 26.702 0.400 1 836 93 93 ILE CG2 C 14.160 0.400 1 837 93 93 ILE CD1 C 11.485 0.400 1 838 93 93 ILE N N 114.698 0.400 1 839 94 94 HIS H H 8.448 0.040 1 840 94 94 HIS HB2 H 3.376 0.040 2 841 94 94 HIS HB3 H 3.232 0.040 2 842 94 94 HIS CA C 56.493 0.400 1 843 94 94 HIS CB C 29.852 0.400 1 844 94 94 HIS N N 115.268 0.400 1 845 95 95 THR H H 8.172 0.040 1 846 95 95 THR HA H 4.608 0.040 1 847 95 95 THR HB H 4.573 0.040 1 848 95 95 THR HG2 H 1.403 0.040 1 849 95 95 THR CA C 62.702 0.400 1 850 95 95 THR CB C 65.707 0.400 1 851 95 95 THR CG2 C 20.028 0.400 1 852 95 95 THR N N 117.193 0.400 1 853 96 96 LEU H H 8.375 0.040 1 854 96 96 LEU HA H 4.361 0.040 1 855 96 96 LEU HB2 H 2.178 0.040 2 856 96 96 LEU HB3 H 1.661 0.040 2 857 96 96 LEU HG H 1.756 0.040 1 858 96 96 LEU HD1 H 1.059 0.040 1 859 96 96 LEU HD2 H 1.018 0.040 1 860 96 96 LEU CA C 53.185 0.400 1 861 96 96 LEU CB C 38.697 0.400 1 862 96 96 LEU CG C 24.382 0.400 1 863 96 96 LEU CD1 C 22.513 0.400 1 864 96 96 LEU CD2 C 20.034 0.400 1 865 96 96 LEU N N 118.257 0.400 1 866 97 97 ARG H H 6.645 0.040 1 867 97 97 ARG HA H 4.175 0.040 1 868 97 97 ARG HB2 H 2.200 0.040 2 869 97 97 ARG HB3 H 2.109 0.040 2 870 97 97 ARG HG2 H 1.634 0.040 1 871 97 97 ARG HG3 H 1.634 0.040 1 872 97 97 ARG HD2 H 3.395 0.040 1 873 97 97 ARG HD3 H 3.395 0.040 1 874 97 97 ARG CA C 53.734 0.400 1 875 97 97 ARG CB C 24.074 0.400 1 876 97 97 ARG CG C 24.894 0.400 1 877 97 97 ARG CD C 41.180 0.400 1 878 97 97 ARG N N 109.733 0.400 1 879 98 98 LYS H H 8.234 0.040 1 880 98 98 LYS HA H 5.192 0.040 1 881 98 98 LYS HB2 H 2.005 0.040 2 882 98 98 LYS HB3 H 1.481 0.040 2 883 98 98 LYS HG2 H 1.625 0.040 1 884 98 98 LYS HG3 H 1.625 0.040 1 885 98 98 LYS HD2 H 1.831 0.040 1 886 98 98 LYS HD3 H 1.831 0.040 1 887 98 98 LYS HE2 H 3.128 0.040 1 888 98 98 LYS HE3 H 3.128 0.040 1 889 98 98 LYS CA C 50.599 0.400 1 890 98 98 LYS CB C 31.190 0.400 1 891 98 98 LYS CG C 21.947 0.400 1 892 98 98 LYS CD C 26.805 0.400 1 893 98 98 LYS CE C 39.847 0.400 1 894 98 98 LYS N N 117.472 0.400 1 895 99 99 PRO HA H 4.371 0.040 1 896 99 99 PRO HB2 H 2.489 0.040 2 897 99 99 PRO HB3 H 2.288 0.040 2 898 99 99 PRO HG2 H 2.227 0.040 1 899 99 99 PRO HG3 H 2.227 0.040 1 900 99 99 PRO HD2 H 3.812 0.040 2 901 99 99 PRO HD3 H 3.517 0.040 2 902 99 99 PRO CA C 58.787 0.400 1 903 99 99 PRO CB C 27.900 0.400 1 904 99 99 PRO CG C 24.788 0.400 1 905 99 99 PRO CD C 47.503 0.400 1 906 100 100 PRO HA H 4.728 0.040 1 907 100 100 PRO HB2 H 2.140 0.040 2 908 100 100 PRO HB3 H 2.028 0.040 2 909 100 100 PRO HG2 H 2.274 0.040 2 910 100 100 PRO HG3 H 1.946 0.040 2 911 100 100 PRO HD2 H 3.630 0.040 2 912 100 100 PRO HD3 H 3.420 0.040 2 913 100 100 PRO CA C 59.350 0.400 1 914 100 100 PRO CB C 28.245 0.400 1 915 100 100 PRO CG C 25.531 0.400 1 916 100 100 PRO CD C 46.382 0.400 1 917 101 101 LYS H H 8.791 0.040 1 918 101 101 LYS HA H 4.345 0.040 1 919 101 101 LYS HB2 H 1.979 0.040 1 920 101 101 LYS HB3 H 1.979 0.040 1 921 101 101 LYS HG2 H 1.666 0.040 2 922 101 101 LYS HG3 H 1.604 0.040 2 923 101 101 LYS HD2 H 1.873 0.040 1 924 101 101 LYS HD3 H 1.873 0.040 1 925 101 101 LYS HE2 H 3.206 0.040 1 926 101 101 LYS HE3 H 3.206 0.040 1 927 101 101 LYS CA C 55.039 0.400 1 928 101 101 LYS CB C 30.738 0.400 1 929 101 101 LYS CG C 22.075 0.400 1 930 101 101 LYS CD C 26.423 0.400 1 931 101 101 LYS CE C 39.539 0.400 1 932 101 101 LYS N N 123.434 0.400 1 933 102 102 ASP H H 7.602 0.040 1 934 102 102 ASP HA H 5.143 0.040 1 935 102 102 ASP HB2 H 3.321 0.040 2 936 102 102 ASP HB3 H 3.105 0.040 2 937 102 102 ASP CA C 50.320 0.400 1 938 102 102 ASP CB C 39.749 0.400 1 939 102 102 ASP N N 113.773 0.400 1 940 103 103 GLU H H 9.062 0.040 1 941 103 103 GLU HA H 4.056 0.040 1 942 103 103 GLU HB2 H 2.323 0.040 2 943 103 103 GLU HB3 H 2.280 0.040 2 944 103 103 GLU HG2 H 2.659 0.040 2 945 103 103 GLU HG3 H 2.436 0.040 2 946 103 103 GLU CA C 58.027 0.400 1 947 103 103 GLU CB C 27.558 0.400 1 948 103 103 GLU CG C 36.491 0.400 1 949 103 103 GLU N N 117.255 0.400 1 950 104 104 GLN H H 8.377 0.040 1 951 104 104 GLN HA H 4.222 0.040 1 952 104 104 GLN HB2 H 2.370 0.040 2 953 104 104 GLN HB3 H 2.323 0.040 2 954 104 104 GLN HG2 H 2.577 0.040 1 955 104 104 GLN HG3 H 2.577 0.040 1 956 104 104 GLN CA C 56.895 0.400 1 957 104 104 GLN CB C 24.995 0.400 1 958 104 104 GLN CG C 31.694 0.400 1 959 104 104 GLN N N 122.652 0.400 1 960 105 105 GLU H H 8.895 0.040 1 961 105 105 GLU HA H 4.159 0.040 1 962 105 105 GLU HB2 H 2.435 0.040 2 963 105 105 GLU HB3 H 2.144 0.040 2 964 105 105 GLU HG2 H 2.813 0.040 2 965 105 105 GLU HG3 H 2.349 0.040 2 966 105 105 GLU CA C 56.837 0.400 1 967 105 105 GLU CB C 27.721 0.400 1 968 105 105 GLU CG C 34.636 0.400 1 969 105 105 GLU N N 122.582 0.400 1 970 106 106 LEU H H 7.839 0.040 1 971 106 106 LEU HA H 4.020 0.040 1 972 106 106 LEU HB2 H 2.199 0.040 2 973 106 106 LEU HB3 H 1.519 0.040 2 974 106 106 LEU HG H 1.734 0.040 1 975 106 106 LEU HD1 H 1.201 0.040 1 976 106 106 LEU HD2 H 1.158 0.040 1 977 106 106 LEU CA C 55.768 0.400 1 978 106 106 LEU CB C 40.750 0.400 1 979 106 106 LEU CG C 24.730 0.400 1 980 106 106 LEU CD1 C 23.880 0.400 1 981 106 106 LEU CD2 C 22.845 0.400 1 982 106 106 LEU N N 119.758 0.400 1 983 107 107 ARG H H 7.680 0.040 1 984 107 107 ARG HA H 3.166 0.040 1 985 107 107 ARG HB2 H 1.896 0.040 2 986 107 107 ARG HB3 H 1.589 0.040 2 987 107 107 ARG HG2 H 1.207 0.040 2 988 107 107 ARG HG3 H 0.777 0.040 2 989 107 107 ARG HD2 H 3.247 0.040 2 990 107 107 ARG HD3 H 3.086 0.040 2 991 107 107 ARG CA C 55.782 0.400 1 992 107 107 ARG CB C 27.544 0.400 1 993 107 107 ARG CG C 24.461 0.400 1 994 107 107 ARG CD C 41.464 0.400 1 995 107 107 ARG N N 118.955 0.400 1 996 108 108 GLN H H 7.911 0.040 1 997 108 108 GLN HA H 3.691 0.040 1 998 108 108 GLN HB2 H 2.345 0.040 1 999 108 108 GLN HB3 H 2.345 0.040 1 1000 108 108 GLN HG2 H 2.665 0.040 2 1001 108 108 GLN HG3 H 2.540 0.040 2 1002 108 108 GLN HE21 H 8.099 0.040 2 1003 108 108 GLN HE22 H 6.894 0.040 2 1004 108 108 GLN CA C 55.695 0.400 1 1005 108 108 GLN CB C 25.580 0.400 1 1006 108 108 GLN CG C 30.780 0.400 1 1007 108 108 GLN N N 119.329 0.400 1 1008 109 109 ILE H H 7.654 0.040 1 1009 109 109 ILE HA H 3.737 0.040 1 1010 109 109 ILE HB H 2.162 0.040 1 1011 109 109 ILE HG12 H 2.211 0.040 2 1012 109 109 ILE HG13 H 0.976 0.040 2 1013 109 109 ILE HG2 H 0.716 0.040 1 1014 109 109 ILE HD1 H 0.948 0.040 1 1015 109 109 ILE CA C 63.096 0.400 1 1016 109 109 ILE CB C 35.263 0.400 1 1017 109 109 ILE CG1 C 26.421 0.400 1 1018 109 109 ILE CG2 C 13.774 0.400 1 1019 109 109 ILE CD1 C 12.425 0.400 1 1020 109 109 ILE N N 118.038 0.400 1 1021 110 110 PHE H H 7.241 0.040 1 1022 110 110 PHE HA H 4.121 0.040 1 1023 110 110 PHE HB2 H 3.115 0.040 2 1024 110 110 PHE HB3 H 2.498 0.040 2 1025 110 110 PHE HD1 H 7.591 0.040 1 1026 110 110 PHE HD2 H 7.591 0.040 1 1027 110 110 PHE CA C 58.277 0.400 1 1028 110 110 PHE CB C 35.753 0.400 1 1029 110 110 PHE N N 115.367 0.400 1 1030 111 111 LEU H H 7.900 0.040 1 1031 111 111 LEU HA H 4.450 0.040 1 1032 111 111 LEU HB2 H 1.822 0.040 1 1033 111 111 LEU HB3 H 1.822 0.040 1 1034 111 111 LEU HG H 1.866 0.040 1 1035 111 111 LEU HD1 H 0.849 0.040 1 1036 111 111 LEU HD2 H 0.825 0.040 1 1037 111 111 LEU CA C 55.616 0.400 1 1038 111 111 LEU CB C 37.293 0.400 1 1039 111 111 LEU CG C 24.946 0.400 1 1040 111 111 LEU CD1 C 21.710 0.400 1 1041 111 111 LEU CD2 C 20.519 0.400 1 1042 111 111 LEU N N 121.297 0.400 1 1043 112 112 ASP H H 9.090 0.040 1 1044 112 112 ASP HA H 4.577 0.040 1 1045 112 112 ASP HB2 H 2.978 0.040 2 1046 112 112 ASP HB3 H 2.847 0.040 2 1047 112 112 ASP CA C 54.280 0.400 1 1048 112 112 ASP CB C 37.630 0.400 1 1049 112 112 ASP N N 121.156 0.400 1 1050 113 113 GLU H H 7.335 0.040 1 1051 113 113 GLU HA H 4.568 0.040 1 1052 113 113 GLU HB2 H 2.388 0.040 2 1053 113 113 GLU HB3 H 2.041 0.040 2 1054 113 113 GLU HG2 H 2.567 0.040 2 1055 113 113 GLU HG3 H 2.323 0.040 2 1056 113 113 GLU CA C 52.426 0.400 1 1057 113 113 GLU CB C 26.737 0.400 1 1058 113 113 GLU CG C 33.409 0.400 1 1059 113 113 GLU N N 117.077 0.400 1 1060 114 114 GLY H H 8.052 0.040 1 1061 114 114 GLY HA2 H 4.408 0.040 2 1062 114 114 GLY HA3 H 3.889 0.040 2 1063 114 114 GLY CA C 42.876 0.400 1 1064 114 114 GLY N N 106.475 0.400 1 1065 115 115 ILE H H 7.496 0.040 1 1066 115 115 ILE HA H 4.224 0.040 1 1067 115 115 ILE HB H 1.926 0.040 1 1068 115 115 ILE HG12 H 1.780 0.040 1 1069 115 115 ILE HG13 H 1.780 0.040 1 1070 115 115 ILE HG2 H 1.266 0.040 1 1071 115 115 ILE HD1 H 1.215 0.040 1 1072 115 115 ILE CA C 57.897 0.400 1 1073 115 115 ILE CB C 34.429 0.400 1 1074 115 115 ILE CG1 C 27.827 0.400 1 1075 115 115 ILE CG2 C 16.668 0.400 1 1076 115 115 ILE CD1 C 10.652 0.400 1 1077 115 115 ILE N N 122.735 0.400 1 1078 116 116 ASP H H 8.497 0.040 1 1079 116 116 ASP HA H 4.557 0.040 1 1080 116 116 ASP HB2 H 2.938 0.040 2 1081 116 116 ASP HB3 H 2.813 0.040 2 1082 116 116 ASP CA C 52.540 0.400 1 1083 116 116 ASP CB C 40.691 0.400 1 1084 116 116 ASP N N 127.728 0.400 1 1085 117 117 ALA H H 8.776 0.040 1 1086 117 117 ALA HA H 4.000 0.040 1 1087 117 117 ALA HB H 1.600 0.040 1 1088 117 117 ALA CA C 53.248 0.400 1 1089 117 117 ALA CB C 16.521 0.400 1 1090 117 117 ALA N N 129.836 0.400 1 1091 118 118 ALA H H 8.215 0.040 1 1092 118 118 ALA HA H 4.400 0.040 1 1093 118 118 ALA HB H 1.660 0.040 1 1094 118 118 ALA CA C 52.504 0.400 1 1095 118 118 ALA CB C 15.457 0.400 1 1096 118 118 ALA N N 118.075 0.400 1 1097 119 119 LYS H H 8.052 0.040 1 1098 119 119 LYS HA H 4.238 0.040 1 1099 119 119 LYS HB2 H 2.172 0.040 2 1100 119 119 LYS HB3 H 2.011 0.040 2 1101 119 119 LYS HG2 H 1.861 0.040 2 1102 119 119 LYS HG3 H 1.640 0.040 2 1103 119 119 LYS HD2 H 1.947 0.040 1 1104 119 119 LYS HD3 H 1.947 0.040 1 1105 119 119 LYS HE2 H 3.219 0.040 1 1106 119 119 LYS HE3 H 3.219 0.040 1 1107 119 119 LYS CA C 56.456 0.400 1 1108 119 119 LYS CB C 29.986 0.400 1 1109 119 119 LYS CG C 23.124 0.400 1 1110 119 119 LYS CD C 26.641 0.400 1 1111 119 119 LYS CE C 39.831 0.400 1 1112 119 119 LYS N N 118.693 0.400 1 1113 120 120 PHE H H 8.615 0.040 1 1114 120 120 PHE HA H 3.843 0.040 1 1115 120 120 PHE HB2 H 3.256 0.040 2 1116 120 120 PHE HB3 H 2.826 0.040 2 1117 120 120 PHE HD1 H 6.940 0.040 1 1118 120 120 PHE HD2 H 6.940 0.040 1 1119 120 120 PHE CA C 60.553 0.400 1 1120 120 120 PHE CB C 36.356 0.400 1 1121 120 120 PHE N N 120.152 0.400 1 1122 121 121 ASP H H 9.136 0.040 1 1123 121 121 ASP HA H 4.360 0.040 1 1124 121 121 ASP HB2 H 2.837 0.040 1 1125 121 121 ASP HB3 H 2.837 0.040 1 1126 121 121 ASP CA C 55.215 0.400 1 1127 121 121 ASP CB C 37.331 0.400 1 1128 121 121 ASP N N 119.731 0.400 1 1129 122 122 ALA H H 7.735 0.040 1 1130 122 122 ALA HA H 4.270 0.040 1 1131 122 122 ALA HB H 1.626 0.040 1 1132 122 122 ALA CA C 51.746 0.400 1 1133 122 122 ALA CB C 15.844 0.400 1 1134 122 122 ALA N N 119.917 0.400 1 1135 123 123 ALA H H 7.533 0.040 1 1136 123 123 ALA HA H 4.323 0.040 1 1137 123 123 ALA HB H 1.471 0.040 1 1138 123 123 ALA CA C 51.571 0.400 1 1139 123 123 ALA CB C 16.566 0.400 1 1140 123 123 ALA N N 118.908 0.400 1 1141 124 124 TYR H H 9.091 0.040 1 1142 124 124 TYR HA H 3.893 0.040 1 1143 124 124 TYR HB2 H 2.250 0.040 2 1144 124 124 TYR HB3 H 1.882 0.040 2 1145 124 124 TYR HE1 H 6.821 0.040 1 1146 124 124 TYR HE2 H 6.821 0.040 1 1147 124 124 TYR CA C 59.035 0.400 1 1148 124 124 TYR CB C 36.603 0.400 1 1149 124 124 TYR N N 120.191 0.400 1 1150 125 125 ASN H H 7.003 0.040 1 1151 125 125 ASN HA H 4.940 0.040 1 1152 125 125 ASN HB2 H 3.122 0.040 2 1153 125 125 ASN HB3 H 2.824 0.040 2 1154 125 125 ASN CA C 50.290 0.400 1 1155 125 125 ASN CB C 37.151 0.400 1 1156 125 125 ASN N N 109.692 0.400 1 1157 126 126 GLY H H 7.634 0.040 1 1158 126 126 GLY HA2 H 4.399 0.040 2 1159 126 126 GLY HA3 H 4.175 0.040 2 1160 126 126 GLY CA C 42.441 0.400 1 1161 126 126 GLY N N 107.645 0.400 1 1162 127 127 PHE H H 8.419 0.040 1 1163 127 127 PHE HA H 4.476 0.040 1 1164 127 127 PHE HB2 H 3.395 0.040 2 1165 127 127 PHE HB3 H 3.224 0.040 2 1166 127 127 PHE CA C 57.818 0.400 1 1167 127 127 PHE CB C 37.036 0.400 1 1168 127 127 PHE N N 119.023 0.400 1 1169 128 128 ALA H H 8.470 0.040 1 1170 128 128 ALA HA H 4.126 0.040 1 1171 128 128 ALA HB H 1.572 0.040 1 1172 128 128 ALA CA C 53.108 0.400 1 1173 128 128 ALA CB C 14.707 0.400 1 1174 128 128 ALA N N 124.731 0.400 1 1175 129 129 VAL H H 8.579 0.040 1 1176 129 129 VAL HA H 3.670 0.040 1 1177 129 129 VAL HB H 2.016 0.040 1 1178 129 129 VAL HG1 H 0.965 0.040 1 1179 129 129 VAL HG2 H 0.883 0.040 1 1180 129 129 VAL CA C 64.398 0.400 1 1181 129 129 VAL CB C 29.235 0.400 1 1182 129 129 VAL CG1 C 18.216 0.400 1 1183 129 129 VAL CG2 C 21.798 0.400 1 1184 129 129 VAL N N 120.698 0.400 1 1185 130 130 ASP H H 7.252 0.040 1 1186 130 130 ASP HA H 4.278 0.040 1 1187 130 130 ASP HB2 H 2.761 0.040 2 1188 130 130 ASP HB3 H 2.726 0.040 2 1189 130 130 ASP CA C 55.493 0.400 1 1190 130 130 ASP CB C 39.888 0.400 1 1191 130 130 ASP N N 119.439 0.400 1 1192 131 131 SER H H 8.276 0.040 1 1193 131 131 SER HA H 4.088 0.040 1 1194 131 131 SER HB2 H 3.915 0.040 2 1195 131 131 SER HB3 H 3.818 0.040 2 1196 131 131 SER CA C 58.955 0.400 1 1197 131 131 SER CB C 60.371 0.400 1 1198 131 131 SER N N 111.959 0.400 1 1199 132 132 MET H H 7.996 0.040 1 1200 132 132 MET HA H 3.769 0.040 1 1201 132 132 MET HB2 H 2.305 0.040 2 1202 132 132 MET HB3 H 1.674 0.040 2 1203 132 132 MET HG2 H 2.683 0.040 2 1204 132 132 MET HG3 H 2.361 0.040 2 1205 132 132 MET HE H 2.234 0.040 1 1206 132 132 MET CA C 57.092 0.400 1 1207 132 132 MET CB C 31.883 0.400 1 1208 132 132 MET CG C 30.203 0.400 1 1209 132 132 MET CE C 14.668 0.400 1 1210 132 132 MET N N 122.540 0.400 1 1211 133 133 VAL H H 7.917 0.040 1 1212 133 133 VAL HA H 3.713 0.040 1 1213 133 133 VAL HB H 2.335 0.040 1 1214 133 133 VAL HG1 H 1.231 0.040 1 1215 133 133 VAL HG2 H 1.139 0.040 1 1216 133 133 VAL CA C 63.892 0.400 1 1217 133 133 VAL CB C 28.768 0.400 1 1218 133 133 VAL CG1 C 19.049 0.400 1 1219 133 133 VAL CG2 C 20.657 0.400 1 1220 133 133 VAL N N 116.928 0.400 1 1221 134 134 ARG H H 7.696 0.040 1 1222 134 134 ARG HA H 4.325 0.040 1 1223 134 134 ARG HB2 H 2.177 0.040 2 1224 134 134 ARG HB3 H 2.017 0.040 2 1225 134 134 ARG HG2 H 2.004 0.040 2 1226 134 134 ARG HG3 H 1.860 0.040 2 1227 134 134 ARG HD2 H 3.355 0.040 2 1228 134 134 ARG HD3 H 3.262 0.040 2 1229 134 134 ARG CA C 56.839 0.400 1 1230 134 134 ARG CB C 27.377 0.400 1 1231 134 134 ARG CG C 25.839 0.400 1 1232 134 134 ARG CD C 40.938 0.400 1 1233 134 134 ARG N N 117.154 0.400 1 1234 135 135 ARG H H 7.702 0.040 1 1235 135 135 ARG HA H 4.322 0.040 1 1236 135 135 ARG HB2 H 2.159 0.040 2 1237 135 135 ARG HB3 H 2.056 0.040 2 1238 135 135 ARG HG2 H 1.963 0.040 2 1239 135 135 ARG HG3 H 1.860 0.040 2 1240 135 135 ARG HD2 H 3.387 0.040 2 1241 135 135 ARG HD3 H 3.292 0.040 2 1242 135 135 ARG CA C 57.058 0.400 1 1243 135 135 ARG CB C 27.193 0.400 1 1244 135 135 ARG CG C 24.861 0.400 1 1245 135 135 ARG CD C 41.220 0.400 1 1246 135 135 ARG N N 120.030 0.400 1 1247 136 136 PHE H H 8.803 0.040 1 1248 136 136 PHE HA H 4.934 0.040 1 1249 136 136 PHE HB2 H 4.044 0.040 2 1250 136 136 PHE HB3 H 3.701 0.040 2 1251 136 136 PHE CA C 55.299 0.400 1 1252 136 136 PHE CB C 36.365 0.400 1 1253 136 136 PHE N N 120.599 0.400 1 1254 137 137 ASP H H 8.044 0.040 1 1255 137 137 ASP HA H 4.994 0.040 1 1256 137 137 ASP HB2 H 2.939 0.040 1 1257 137 137 ASP HB3 H 2.939 0.040 1 1258 137 137 ASP CA C 55.176 0.400 1 1259 137 137 ASP CB C 38.335 0.400 1 1260 137 137 ASP N N 116.293 0.400 1 1261 138 138 LYS H H 8.591 0.040 1 1262 138 138 LYS HA H 4.354 0.040 1 1263 138 138 LYS HB2 H 2.176 0.040 1 1264 138 138 LYS HB3 H 2.176 0.040 1 1265 138 138 LYS HG2 H 1.681 0.040 1 1266 138 138 LYS HG3 H 1.681 0.040 1 1267 138 138 LYS CA C 56.874 0.400 1 1268 138 138 LYS CB C 30.136 0.400 1 1269 138 138 LYS CG C 22.341 0.400 1 1270 138 138 LYS N N 122.374 0.400 1 1271 139 139 GLN H H 8.909 0.040 1 1272 139 139 GLN HA H 4.369 0.040 1 1273 139 139 GLN HB2 H 2.711 0.040 2 1274 139 139 GLN HB3 H 2.525 0.040 2 1275 139 139 GLN HG2 H 2.951 0.040 2 1276 139 139 GLN HG3 H 2.726 0.040 2 1277 139 139 GLN HE21 H 7.541 0.040 2 1278 139 139 GLN CA C 56.803 0.400 1 1279 139 139 GLN CB C 26.421 0.400 1 1280 139 139 GLN CG C 32.717 0.400 1 1281 139 139 GLN N N 117.325 0.400 1 1282 140 140 PHE H H 8.038 0.040 1 1283 140 140 PHE HA H 3.611 0.040 1 1284 140 140 PHE HB2 H 3.526 0.040 2 1285 140 140 PHE HB3 H 3.334 0.040 2 1286 140 140 PHE CA C 59.160 0.400 1 1287 140 140 PHE CB C 37.112 0.400 1 1288 140 140 PHE N N 120.749 0.400 1 1289 141 141 GLN H H 8.543 0.040 1 1290 141 141 GLN HA H 4.142 0.040 1 1291 141 141 GLN HB2 H 2.469 0.040 2 1292 141 141 GLN HB3 H 2.387 0.040 2 1293 141 141 GLN HG2 H 2.806 0.040 2 1294 141 141 GLN HG3 H 2.665 0.040 2 1295 141 141 GLN CA C 56.434 0.400 1 1296 141 141 GLN CB C 26.185 0.400 1 1297 141 141 GLN CG C 31.711 0.400 1 1298 141 141 GLN N N 119.345 0.400 1 1299 142 142 ASP H H 9.464 0.040 1 1300 142 142 ASP HA H 4.509 0.040 1 1301 142 142 ASP HB2 H 2.913 0.040 2 1302 142 142 ASP HB3 H 2.739 0.040 2 1303 142 142 ASP CA C 54.445 0.400 1 1304 142 142 ASP CB C 37.454 0.400 1 1305 142 142 ASP N N 121.238 0.400 1 1306 143 143 SER H H 7.486 0.040 1 1307 143 143 SER HA H 4.318 0.040 1 1308 143 143 SER HB2 H 3.973 0.040 2 1309 143 143 SER HB3 H 3.842 0.040 2 1310 143 143 SER CA C 58.000 0.400 1 1311 143 143 SER CB C 61.455 0.400 1 1312 143 143 SER N N 112.071 0.400 1 1313 144 144 GLY H H 7.560 0.040 1 1314 144 144 GLY HA2 H 3.998 0.040 2 1315 144 144 GLY HA3 H 3.828 0.040 2 1316 144 144 GLY CA C 43.239 0.400 1 1317 144 144 GLY N N 107.713 0.400 1 1318 145 145 LEU H H 6.834 0.040 1 1319 145 145 LEU HA H 4.116 0.040 1 1320 145 145 LEU HB2 H 1.018 0.040 2 1321 145 145 LEU HB3 H 0.564 0.040 2 1322 145 145 LEU HG H 1.280 0.040 1 1323 145 145 LEU HD1 H 0.431 0.040 1 1324 145 145 LEU HD2 H 0.859 0.040 1 1325 145 145 LEU CA C 52.016 0.400 1 1326 145 145 LEU CB C 39.863 0.400 1 1327 145 145 LEU CG C 24.437 0.400 1 1328 145 145 LEU CD1 C 23.515 0.400 1 1329 145 145 LEU CD2 C 21.461 0.400 1 1330 145 145 LEU N N 118.798 0.400 1 1331 146 146 THR H H 8.306 0.040 1 1332 146 146 THR HA H 4.493 0.040 1 1333 146 146 THR HB H 4.500 0.040 1 1334 146 146 THR HG2 H 1.207 0.040 1 1335 146 146 THR CA C 58.639 0.400 1 1336 146 146 THR CB C 67.621 0.400 1 1337 146 146 THR CG2 C 18.887 0.400 1 1338 146 146 THR N N 106.142 0.400 1 1339 147 147 GLY H H 7.549 0.040 1 1340 147 147 GLY HA2 H 4.627 0.040 2 1341 147 147 GLY HA3 H 4.237 0.040 2 1342 147 147 GLY CA C 42.614 0.400 1 1343 147 147 GLY N N 108.669 0.400 1 1344 148 148 VAL H H 8.256 0.040 1 1345 148 148 VAL HA H 4.723 0.040 1 1346 148 148 VAL HB H 2.251 0.040 1 1347 148 148 VAL HG1 H 0.847 0.040 1 1348 148 148 VAL HG2 H 1.064 0.040 1 1349 148 148 VAL CA C 55.325 0.400 1 1350 148 148 VAL CB C 31.967 0.400 1 1351 148 148 VAL CG1 C 21.717 0.400 1 1352 148 148 VAL CG2 C 15.447 0.400 1 1353 148 148 VAL N N 108.566 0.400 1 1354 149 149 PRO HA H 5.287 0.040 1 1355 149 149 PRO HB2 H 1.954 0.040 1 1356 149 149 PRO HB3 H 1.954 0.040 1 1357 149 149 PRO HG2 H 1.664 0.040 1 1358 149 149 PRO HG3 H 1.664 0.040 1 1359 149 149 PRO HD2 H 3.072 0.040 1 1360 149 149 PRO HD3 H 3.072 0.040 1 1361 149 149 PRO CA C 59.401 0.400 1 1362 149 149 PRO CB C 32.670 0.400 1 1363 149 149 PRO CG C 21.364 0.400 1 1364 150 150 ALA H H 8.512 0.040 1 1365 150 150 ALA HA H 5.044 0.040 1 1366 150 150 ALA HB H 1.831 0.040 1 1367 150 150 ALA CA C 49.131 0.400 1 1368 150 150 ALA CB C 20.962 0.400 1 1369 150 150 ALA N N 123.462 0.400 1 1370 151 151 VAL H H 9.452 0.040 1 1371 151 151 VAL HA H 5.368 0.040 1 1372 151 151 VAL HB H 2.289 0.040 1 1373 151 151 VAL HG1 H 1.302 0.040 1 1374 151 151 VAL HG2 H 1.102 0.040 1 1375 151 151 VAL CA C 56.978 0.400 1 1376 151 151 VAL CB C 30.840 0.400 1 1377 151 151 VAL CG1 C 19.097 0.400 1 1378 151 151 VAL CG2 C 18.552 0.400 1 1379 151 151 VAL N N 125.807 0.400 1 1380 152 152 VAL H H 9.406 0.040 1 1381 152 152 VAL HA H 5.322 0.040 1 1382 152 152 VAL HB H 2.183 0.040 1 1383 152 152 VAL HG1 H 1.150 0.040 1 1384 152 152 VAL HG2 H 0.977 0.040 1 1385 152 152 VAL CA C 57.433 0.400 1 1386 152 152 VAL CB C 32.572 0.400 1 1387 152 152 VAL CG1 C 19.826 0.400 1 1388 152 152 VAL CG2 C 19.627 0.400 1 1389 152 152 VAL N N 127.144 0.400 1 1390 153 153 VAL H H 10.142 0.040 1 1391 153 153 VAL HA H 4.971 0.040 1 1392 153 153 VAL HB H 2.230 0.040 1 1393 153 153 VAL HG1 H 1.178 0.040 1 1394 153 153 VAL HG2 H 1.136 0.040 1 1395 153 153 VAL CA C 59.078 0.400 1 1396 153 153 VAL CB C 31.144 0.400 1 1397 153 153 VAL CG1 C 19.922 0.400 1 1398 153 153 VAL CG2 C 19.422 0.400 1 1399 153 153 VAL N N 130.199 0.400 1 1400 154 154 ASN H H 10.446 0.040 1 1401 154 154 ASN HA H 4.982 0.040 1 1402 154 154 ASN HB2 H 3.576 0.040 2 1403 154 154 ASN HB3 H 3.106 0.040 2 1404 154 154 ASN HD21 H 7.545 0.040 2 1405 154 154 ASN HD22 H 6.482 0.040 2 1406 154 154 ASN CA C 51.877 0.400 1 1407 154 154 ASN CB C 33.477 0.400 1 1408 154 154 ASN N N 128.300 0.400 1 1409 154 154 ASN ND2 N 108.121 0.400 1 1410 155 155 ASN H H 9.369 0.040 1 1411 155 155 ASN HA H 4.259 0.040 1 1412 155 155 ASN HB2 H 3.494 0.040 2 1413 155 155 ASN HB3 H 3.027 0.040 2 1414 155 155 ASN HD21 H 7.901 0.040 2 1415 155 155 ASN HD22 H 6.943 0.040 2 1416 155 155 ASN CA C 52.897 0.400 1 1417 155 155 ASN CB C 37.235 0.400 1 1418 155 155 ASN N N 113.132 0.400 1 1419 155 155 ASN ND2 N 110.500 0.400 1 1420 156 156 ARG H H 7.581 0.040 1 1421 156 156 ARG HA H 4.500 0.040 1 1422 156 156 ARG HB2 H 1.503 0.040 2 1423 156 156 ARG HB3 H 1.209 0.040 2 1424 156 156 ARG HG2 H 1.318 0.040 2 1425 156 156 ARG HG3 H 1.064 0.040 2 1426 156 156 ARG HD2 H 3.244 0.040 2 1427 156 156 ARG HD3 H 3.092 0.040 2 1428 156 156 ARG CA C 53.927 0.400 1 1429 156 156 ARG CB C 31.761 0.400 1 1430 156 156 ARG CG C 24.323 0.400 1 1431 156 156 ARG CD C 41.670 0.400 1 1432 156 156 ARG N N 117.579 0.400 1 1433 157 157 TYR H H 8.398 0.040 1 1434 157 157 TYR HA H 5.648 0.040 1 1435 157 157 TYR HB2 H 3.094 0.040 2 1436 157 157 TYR HB3 H 2.846 0.040 2 1437 157 157 TYR HD1 H 6.973 0.040 1 1438 157 157 TYR HD2 H 6.973 0.040 1 1439 157 157 TYR CA C 53.796 0.400 1 1440 157 157 TYR CB C 37.921 0.400 1 1441 157 157 TYR N N 117.919 0.400 1 1442 158 158 LEU H H 8.873 0.040 1 1443 158 158 LEU HA H 5.074 0.040 1 1444 158 158 LEU HB2 H 2.144 0.040 2 1445 158 158 LEU HB3 H 1.518 0.040 2 1446 158 158 LEU HG H 1.665 0.040 1 1447 158 158 LEU HD1 H 1.067 0.040 1 1448 158 158 LEU HD2 H 1.239 0.040 1 1449 158 158 LEU CA C 51.870 0.400 1 1450 158 158 LEU CB C 41.859 0.400 1 1451 158 158 LEU CG C 24.899 0.400 1 1452 158 158 LEU CD1 C 23.200 0.400 1 1453 158 158 LEU CD2 C 21.837 0.400 1 1454 158 158 LEU N N 127.968 0.400 1 1455 159 159 VAL H H 9.024 0.040 1 1456 159 159 VAL HA H 3.907 0.040 1 1457 159 159 VAL HB H 2.375 0.040 1 1458 159 159 VAL HG1 H 1.073 0.040 1 1459 159 159 VAL HG2 H 1.045 0.040 1 1460 159 159 VAL CA C 61.940 0.400 1 1461 159 159 VAL CB C 30.123 0.400 1 1462 159 159 VAL CG1 C 20.421 0.400 1 1463 159 159 VAL CG2 C 19.922 0.400 1 1464 159 159 VAL N N 128.984 0.400 1 1465 160 160 GLN H H 8.416 0.040 1 1466 160 160 GLN HA H 4.998 0.040 1 1467 160 160 GLN HB2 H 2.271 0.040 1 1468 160 160 GLN HB3 H 2.271 0.040 1 1469 160 160 GLN HG2 H 2.309 0.040 1 1470 160 160 GLN HG3 H 2.309 0.040 1 1471 160 160 GLN CA C 51.995 0.400 1 1472 160 160 GLN CB C 25.044 0.400 1 1473 160 160 GLN CG C 30.952 0.400 1 1474 160 160 GLN N N 128.096 0.400 1 1475 161 161 GLY H H 8.513 0.040 1 1476 161 161 GLY HA2 H 4.278 0.040 2 1477 161 161 GLY HA3 H 4.077 0.040 2 1478 161 161 GLY CA C 45.317 0.400 1 1479 161 161 GLY N N 112.588 0.400 1 1480 162 162 GLN H H 9.040 0.040 1 1481 162 162 GLN HA H 4.482 0.040 1 1482 162 162 GLN HB2 H 2.277 0.040 2 1483 162 162 GLN HB3 H 2.253 0.040 2 1484 162 162 GLN HG2 H 2.590 0.040 2 1485 162 162 GLN HG3 H 2.527 0.040 2 1486 162 162 GLN CA C 54.796 0.400 1 1487 162 162 GLN CB C 25.251 0.400 1 1488 162 162 GLN CG C 31.299 0.400 1 1489 162 162 GLN N N 118.724 0.400 1 1490 163 163 SER H H 8.153 0.040 1 1491 163 163 SER HA H 4.544 0.040 1 1492 163 163 SER HB2 H 4.157 0.040 2 1493 163 163 SER HB3 H 4.092 0.040 2 1494 163 163 SER CA C 56.903 0.400 1 1495 163 163 SER CB C 61.150 0.400 1 1496 163 163 SER N N 114.907 0.400 1 1497 164 164 ALA H H 7.727 0.040 1 1498 164 164 ALA HA H 4.851 0.040 1 1499 164 164 ALA HB H 1.707 0.040 1 1500 164 164 ALA CA C 49.038 0.400 1 1501 164 164 ALA CB C 16.652 0.400 1 1502 164 164 ALA N N 125.259 0.400 1 1503 165 165 LYS H H 9.199 0.040 1 1504 165 165 LYS HA H 4.434 0.040 1 1505 165 165 LYS HB2 H 2.143 0.040 2 1506 165 165 LYS HB3 H 2.059 0.040 2 1507 165 165 LYS HG2 H 2.248 0.040 2 1508 165 165 LYS HG3 H 1.714 0.040 2 1509 165 165 LYS HD2 H 1.926 0.040 1 1510 165 165 LYS HD3 H 1.926 0.040 1 1511 165 165 LYS HE2 H 3.259 0.040 1 1512 165 165 LYS HE3 H 3.259 0.040 1 1513 165 165 LYS CA C 54.401 0.400 1 1514 165 165 LYS CB C 29.911 0.400 1 1515 165 165 LYS CG C 22.421 0.400 1 1516 165 165 LYS CD C 26.225 0.400 1 1517 165 165 LYS CE C 39.730 0.400 1 1518 165 165 LYS N N 121.664 0.400 1 1519 166 166 SER H H 7.775 0.040 1 1520 166 166 SER HA H 4.796 0.040 1 1521 166 166 SER HB2 H 4.307 0.040 2 1522 166 166 SER HB3 H 4.142 0.040 2 1523 166 166 SER CA C 53.879 0.400 1 1524 166 166 SER CB C 63.293 0.400 1 1525 166 166 SER N N 111.005 0.400 1 1526 167 167 LEU H H 8.915 0.040 1 1527 167 167 LEU HA H 4.003 0.040 1 1528 167 167 LEU HB2 H 1.645 0.040 2 1529 167 167 LEU HB3 H 1.505 0.040 2 1530 167 167 LEU HG H 1.420 0.040 1 1531 167 167 LEU HD1 H 0.886 0.040 2 1532 167 167 LEU HD2 H 0.886 0.040 2 1533 167 167 LEU CA C 55.181 0.400 1 1534 167 167 LEU CB C 38.560 0.400 1 1535 167 167 LEU CG C 24.188 0.400 1 1536 167 167 LEU CD1 C 21.775 0.400 1 1537 167 167 LEU CD2 C 21.775 0.400 1 1538 167 167 LEU N N 123.626 0.400 1 1539 168 168 ASP H H 8.057 0.040 1 1540 168 168 ASP HA H 4.399 0.040 1 1541 168 168 ASP HB2 H 2.875 0.040 2 1542 168 168 ASP HB3 H 2.671 0.040 2 1543 168 168 ASP CA C 54.797 0.400 1 1544 168 168 ASP CB C 37.732 0.400 1 1545 168 168 ASP N N 115.533 0.400 1 1546 169 169 GLU H H 7.743 0.040 1 1547 169 169 GLU HA H 4.375 0.040 1 1548 169 169 GLU HB2 H 2.389 0.040 2 1549 169 169 GLU HB3 H 2.318 0.040 2 1550 169 169 GLU HG2 H 2.690 0.040 2 1551 169 169 GLU HG3 H 2.592 0.040 2 1552 169 169 GLU CA C 56.760 0.400 1 1553 169 169 GLU CB C 28.026 0.400 1 1554 169 169 GLU CG C 35.208 0.400 1 1555 169 169 GLU N N 119.402 0.400 1 1556 170 170 TYR H H 7.953 0.040 1 1557 170 170 TYR HA H 4.000 0.040 1 1558 170 170 TYR HB2 H 3.281 0.040 2 1559 170 170 TYR HB3 H 3.021 0.040 2 1560 170 170 TYR HD1 H 7.045 0.040 1 1561 170 170 TYR HD2 H 7.045 0.040 1 1562 170 170 TYR CA C 59.829 0.400 1 1563 170 170 TYR CB C 35.906 0.400 1 1564 170 170 TYR N N 121.332 0.400 1 1565 171 171 PHE H H 8.433 0.040 1 1566 171 171 PHE HA H 4.468 0.040 1 1567 171 171 PHE HB2 H 3.420 0.040 1 1568 171 171 PHE HB3 H 3.420 0.040 1 1569 171 171 PHE CA C 56.021 0.400 1 1570 171 171 PHE CB C 34.145 0.400 1 1571 171 171 PHE N N 116.984 0.400 1 1572 172 172 ASP H H 8.342 0.040 1 1573 172 172 ASP HA H 4.640 0.040 1 1574 172 172 ASP HB2 H 3.238 0.040 2 1575 172 172 ASP HB3 H 2.995 0.040 2 1576 172 172 ASP CA C 54.980 0.400 1 1577 172 172 ASP CB C 37.828 0.400 1 1578 172 172 ASP N N 120.487 0.400 1 1579 173 173 LEU H H 8.327 0.040 1 1580 173 173 LEU HA H 3.221 0.040 1 1581 173 173 LEU HB2 H 2.085 0.040 2 1582 173 173 LEU HB3 H 0.857 0.040 2 1583 173 173 LEU HG H 1.235 0.040 1 1584 173 173 LEU HD1 H 0.999 0.040 1 1585 173 173 LEU HD2 H 0.601 0.040 1 1586 173 173 LEU CA C 55.319 0.400 1 1587 173 173 LEU CB C 38.074 0.400 1 1588 173 173 LEU CD1 C 23.353 0.400 1 1589 173 173 LEU CD2 C 20.577 0.400 1 1590 173 173 LEU N N 124.115 0.400 1 1591 174 174 VAL H H 7.957 0.040 1 1592 174 174 VAL HA H 3.329 0.040 1 1593 174 174 VAL HB H 2.155 0.040 1 1594 174 174 VAL HG1 H 0.874 0.040 1 1595 174 174 VAL HG2 H 0.957 0.040 1 1596 174 174 VAL CA C 65.375 0.400 1 1597 174 174 VAL CB C 28.518 0.400 1 1598 174 174 VAL CG1 C 20.207 0.400 1 1599 174 174 VAL CG2 C 19.543 0.400 1 1600 174 174 VAL N N 119.562 0.400 1 1601 175 175 ASN H H 8.363 0.040 1 1602 175 175 ASN HA H 4.490 0.040 1 1603 175 175 ASN HB2 H 3.036 0.040 2 1604 175 175 ASN HB3 H 2.835 0.040 2 1605 175 175 ASN HD21 H 7.308 0.040 2 1606 175 175 ASN HD22 H 7.081 0.040 2 1607 175 175 ASN CA C 53.927 0.400 1 1608 175 175 ASN CB C 35.666 0.400 1 1609 175 175 ASN N N 116.396 0.400 1 1610 175 175 ASN ND2 N 108.657 0.400 1 1611 176 176 TYR H H 8.427 0.040 1 1612 176 176 TYR HA H 4.453 0.040 1 1613 176 176 TYR HB2 H 3.497 0.040 2 1614 176 176 TYR HB3 H 3.214 0.040 2 1615 176 176 TYR CA C 57.908 0.400 1 1616 176 176 TYR CB C 35.760 0.400 1 1617 176 176 TYR N N 121.634 0.400 1 1618 177 177 LEU H H 8.313 0.040 1 1619 177 177 LEU HA H 3.371 0.040 1 1620 177 177 LEU HB2 H 1.953 0.040 2 1621 177 177 LEU HB3 H 0.991 0.040 2 1622 177 177 LEU HG H 1.817 0.040 1 1623 177 177 LEU HD1 H 0.695 0.040 1 1624 177 177 LEU HD2 H -0.258 0.040 1 1625 177 177 LEU CA C 54.584 0.400 1 1626 177 177 LEU CB C 38.931 0.400 1 1627 177 177 LEU CG C 23.387 0.400 1 1628 177 177 LEU CD1 C 24.457 0.400 1 1629 177 177 LEU CD2 C 18.089 0.400 1 1630 177 177 LEU N N 121.521 0.400 1 1631 178 178 LEU H H 7.870 0.040 1 1632 178 178 LEU HA H 4.024 0.040 1 1633 178 178 LEU HB2 H 2.144 0.040 2 1634 178 178 LEU HB3 H 1.551 0.040 2 1635 178 178 LEU HG H 1.890 0.040 1 1636 178 178 LEU HD1 H 0.943 0.040 1 1637 178 178 LEU HD2 H 1.010 0.040 1 1638 178 178 LEU CA C 54.613 0.400 1 1639 178 178 LEU CB C 40.530 0.400 1 1640 178 178 LEU CG C 24.330 0.400 1 1641 178 178 LEU CD1 C 24.095 0.400 1 1642 178 178 LEU CD2 C 22.432 0.400 1 1643 178 178 LEU N N 117.148 0.400 1 1644 179 179 THR H H 7.608 0.040 1 1645 179 179 THR HA H 4.378 0.040 1 1646 179 179 THR HB H 4.497 0.040 1 1647 179 179 THR HG2 H 1.432 0.040 1 1648 179 179 THR CA C 59.323 0.400 1 1649 179 179 THR CB C 67.408 0.400 1 1650 179 179 THR CG2 C 19.147 0.400 1 1651 179 179 THR N N 107.737 0.400 1 1652 180 180 LEU H H 7.261 0.040 1 1653 180 180 LEU HA H 4.284 0.040 1 1654 180 180 LEU HB2 H 1.494 0.040 2 1655 180 180 LEU HB3 H 1.368 0.040 2 1656 180 180 LEU HG H 1.233 0.040 1 1657 180 180 LEU HD1 H 0.294 0.040 2 1658 180 180 LEU HD2 H 0.523 0.040 2 1659 180 180 LEU CA C 52.779 0.400 1 1660 180 180 LEU CB C 38.665 0.400 1 1661 180 180 LEU CG C 23.422 0.400 1 1662 180 180 LEU CD1 C 22.041 0.400 1 1663 180 180 LEU CD2 C 19.773 0.400 1 1664 180 180 LEU N N 124.635 0.400 1 1665 181 181 LYS H H 7.886 0.040 1 1666 181 181 LYS HA H 4.486 0.040 1 1667 181 181 LYS HB2 H 2.048 0.040 2 1668 181 181 LYS HB3 H 1.846 0.040 2 1669 181 181 LYS HE2 H 3.151 0.040 1 1670 181 181 LYS HE3 H 3.151 0.040 1 1671 181 181 LYS CA C 54.588 0.400 1 1672 181 181 LYS CB C 31.495 0.400 1 1673 181 181 LYS CG C 22.117 0.400 1 1674 181 181 LYS CE C 39.732 0.400 1 1675 181 181 LYS N N 127.285 0.400 1 stop_ save_