data_7359 ####################### # 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 7359 _BMRB_flat_file_name bmr7359.str _Entry_type new _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" 965 "13C chemical shifts" 526 "15N chemical shifts" 182 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 7360 'DsbA oxidoreductase, reduced 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 disulfide bound' 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 disulfide bound' _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 7360 "DsbA protein disulfide isomerase" 100.00 181 99.45 99.45 2.02e-130 PDB 1BED "Structure Of Disulfide Oxidoreductase" 100.00 181 99.45 99.45 2.38e-130 PDB 2IJY "Nmr Structure Ensemble For The Reduced Dsba Disulphide Oxidoreductase From Vibrio Cholerae" 100.00 181 100.00 100.00 4.61e-131 PDB 4DVC "Structural And Functional Studies Of Tcpg, The Vibrio Cholerae Dsba Disulfide-Forming Protein Required For Pilus And Cholera To" 100.00 184 99.45 99.45 3.25e-130 DBJ BAP04237 "periplasmic thiol:disulfide interchange protein DsbA [Vibrio cholerae MS6]" 100.00 200 99.45 99.45 4.97e-131 EMBL CAA45977 "DsbA protein [Vibrio cholerae]" 100.00 200 98.90 99.45 2.86e-130 GB AAA27568 "disulfide isomerase [Vibrio cholerae]" 100.00 200 99.45 99.45 4.97e-131 GB AAF93212 "thiol:disulfide interchange protein [Vibrio cholerae O1 biovar El Tor str. N16961]" 100.00 200 98.90 99.45 2.86e-130 GB ABQ20372 "thiol:disulfide interchange protein [Vibrio cholerae O395]" 100.00 200 99.45 99.45 4.97e-131 GB ACP04371 "thiol:disulfide interchange protein [Vibrio cholerae M66-2]" 100.00 200 99.45 99.45 4.97e-131 GB ACP08173 "thiol:disulfide interchange protein [Vibrio cholerae O395]" 100.00 200 99.45 99.45 4.97e-131 REF NP_229693 "thiol:disulfide interchange protein [Vibrio cholerae O1 biovar El Tor str. N16961]" 100.00 200 98.90 99.45 2.86e-130 REF WP_000732279 "thiol:disulfide interchange protein [Vibrio cholerae]" 100.00 200 98.90 99.45 2.86e-130 REF WP_000732281 "thiol:disulfide interchange protein [Vibrio cholerae]" 100.00 200 98.90 98.90 7.08e-130 REF WP_000732282 "MULTISPECIES: thiol:disulfide interchange protein [Vibrio]" 100.00 200 99.45 99.45 4.97e-131 REF WP_000732283 "thiol:disulfide interchange protein [Vibrio cholerae]" 100.00 200 98.90 98.90 3.63e-130 SP P32557 "RecName: Full=Thiol:disulfide interchange protein DsbA; Flags: Precursor [Vibrio cholerae O1 biovar El Tor str. N16961]" 100.00 200 98.90 99.45 2.86e-130 stop_ save_ ######################################## # Molecular bond linkage definitions # ######################################## save_crosslink_bonds _Saveframe_category crosslink_bonds loop_ _Bond_order _Bond_type _Atom_one_mol_system_component_name _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_atom_name _Atom_two_mol_system_component_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_atom_name single disulfide DsbA 30 CYS SG DsbA 33 CYS SG 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-oxidised _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-oxidised save_ save_15N_1H-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name 15N_1H-HSQC _Sample_label $sample-DsbA-oxidised save_ save_CBCACONNH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONNH _Sample_label $sample-DsbA-oxidised save_ save_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample-DsbA-oxidised save_ save_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample-DsbA-oxidised save_ save_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample-DsbA-oxidised save_ save_HNCACO_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACO _Sample_label $sample-DsbA-oxidised save_ save_CCONHTOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name CCONHTOCSY _Sample_label $sample-DsbA-oxidised save_ save_HCCONHTOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name HCCONHTOCSY _Sample_label $sample-DsbA-oxidised save_ save_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label $sample-DsbA-oxidised save_ save_13C-NOESY-HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-NOESY-HSQC _Sample_label $sample-DsbA-oxidised 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 320K' 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-oxidised _Saveframe_category assigned_chemical_shifts _Details 'Dsba in the oxidised form with C30-C33 disulphide' loop_ _Software_label $SPARKY $NMRPIPE stop_ loop_ _Sample_label $sample-DsbA-oxidised 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 7.965 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 2.206 0.040 2 8 2 2 GLN HG3 H 1.982 0.040 2 9 2 2 GLN CA C 53.287 0.400 1 10 2 2 GLN CB C 26.638 0.400 1 11 2 2 GLN CG C 30.872 0.400 1 12 2 2 GLN N N 118.113 0.400 1 13 3 3 PHE H H 7.231 0.040 1 14 3 3 PHE HA H 4.744 0.040 1 15 3 3 PHE HB2 H 2.870 0.040 2 16 3 3 PHE HB3 H 2.449 0.040 2 17 3 3 PHE HD1 H 6.209 0.040 1 18 3 3 PHE HD2 H 6.209 0.040 1 19 3 3 PHE HZ H 6.222 0.040 1 20 3 3 PHE CA C 53.242 0.400 1 21 3 3 PHE CB C 37.651 0.400 1 22 3 3 PHE N N 119.667 0.400 1 23 4 4 LYS H H 11.592 0.040 1 24 4 4 LYS HA H 4.973 0.040 1 25 4 4 LYS HB2 H 2.103 0.040 2 26 4 4 LYS HB3 H 2.045 0.040 2 27 4 4 LYS HG2 H 1.665 0.040 1 28 4 4 LYS HG3 H 1.665 0.040 1 29 4 4 LYS HD2 H 1.892 0.040 1 30 4 4 LYS HD3 H 1.892 0.040 1 31 4 4 LYS HE2 H 3.184 0.040 1 32 4 4 LYS HE3 H 3.184 0.040 1 33 4 4 LYS CA C 52.965 0.400 1 34 4 4 LYS CB C 33.483 0.400 1 35 4 4 LYS CG C 22.191 0.400 1 36 4 4 LYS CD C 26.726 0.400 1 37 4 4 LYS CE C 39.847 0.400 1 38 4 4 LYS N N 127.256 0.400 1 39 5 5 GLU H H 9.033 0.040 1 40 5 5 GLU HA H 2.856 0.040 1 41 5 5 GLU HB2 H 2.094 0.040 2 42 5 5 GLU HB3 H 2.011 0.040 2 43 5 5 GLU HG2 H 2.278 0.040 1 44 5 5 GLU HG3 H 2.278 0.040 1 45 5 5 GLU CA C 54.931 0.400 1 46 5 5 GLU CB C 26.672 0.400 1 47 5 5 GLU CG C 33.795 0.400 1 48 5 5 GLU N N 129.515 0.400 1 49 6 6 GLY H H 8.963 0.040 1 50 6 6 GLY HA2 H 4.609 0.040 2 51 6 6 GLY HA3 H 3.773 0.040 2 52 6 6 GLY CA C 42.961 0.400 1 53 6 6 GLY N N 116.522 0.400 1 54 7 7 GLU H H 7.596 0.040 1 55 7 7 GLU HA H 4.447 0.040 1 56 7 7 GLU HB2 H 1.928 0.040 2 57 7 7 GLU HB3 H 1.842 0.040 2 58 7 7 GLU HG2 H 2.021 0.040 2 59 7 7 GLU HG3 H 1.636 0.040 2 60 7 7 GLU CA C 54.833 0.400 1 61 7 7 GLU CB C 28.898 0.400 1 62 7 7 GLU CG C 32.480 0.400 1 63 7 7 GLU N N 120.649 0.400 1 64 8 8 HIS H H 8.610 0.040 1 65 8 8 HIS HA H 5.075 0.040 1 66 8 8 HIS HB2 H 3.812 0.040 2 67 8 8 HIS HB3 H 3.210 0.040 2 68 8 8 HIS CA C 56.610 0.400 1 69 8 8 HIS CB C 30.671 0.400 1 70 8 8 HIS N N 114.865 0.400 1 71 9 9 TYR H H 7.397 0.040 1 72 9 9 TYR HA H 5.724 0.040 1 73 9 9 TYR HB2 H 3.301 0.040 2 74 9 9 TYR HB3 H 3.045 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 53.024 0.400 1 78 9 9 TYR CB C 37.804 0.400 1 79 9 9 TYR N N 110.629 0.400 1 80 10 10 GLN H H 9.342 0.040 1 81 10 10 GLN HA H 5.138 0.040 1 82 10 10 GLN HB2 H 2.294 0.040 2 83 10 10 GLN HB3 H 2.047 0.040 2 84 10 10 GLN HG2 H 2.489 0.040 2 85 10 10 GLN HG3 H 2.427 0.040 2 86 10 10 GLN CA C 50.981 0.400 1 87 10 10 GLN CB C 29.903 0.400 1 88 10 10 GLN CG C 30.753 0.400 1 89 10 10 GLN N N 119.632 0.400 1 90 11 11 VAL H H 9.384 0.040 1 91 11 11 VAL HA H 4.735 0.040 1 92 11 11 VAL HB H 2.276 0.040 1 93 11 11 VAL HG1 H 1.433 0.040 2 94 11 11 VAL HG2 H 1.214 0.040 2 95 11 11 VAL CA C 60.261 0.400 1 96 11 11 VAL CB C 29.566 0.400 1 97 11 11 VAL CG1 C 19.596 0.400 1 98 11 11 VAL CG2 C 18.833 0.400 1 99 11 11 VAL N N 125.720 0.400 1 100 12 12 LEU H H 9.377 0.040 1 101 12 12 LEU HA H 4.716 0.040 1 102 12 12 LEU HB2 H 1.923 0.040 2 103 12 12 LEU HB3 H 1.836 0.040 2 104 12 12 LEU HG H 1.836 0.040 1 105 12 12 LEU HD1 H 0.946 0.040 1 106 12 12 LEU HD2 H 0.990 0.040 1 107 12 12 LEU CA C 51.224 0.400 1 108 12 12 LEU CB C 40.324 0.400 1 109 12 12 LEU CG C 24.263 0.400 1 110 12 12 LEU CD1 C 23.535 0.400 1 111 12 12 LEU CD2 C 18.571 0.400 1 112 12 12 LEU N N 128.988 0.400 1 113 13 13 LYS H H 8.445 0.040 1 114 13 13 LYS HA H 4.487 0.040 1 115 13 13 LYS HB2 H 2.097 0.040 2 116 13 13 LYS HB3 H 1.936 0.040 2 117 13 13 LYS HG2 H 1.621 0.040 1 118 13 13 LYS HG3 H 1.621 0.040 1 119 13 13 LYS HD2 H 1.877 0.040 1 120 13 13 LYS HD3 H 1.877 0.040 1 121 13 13 LYS HE2 H 3.252 0.040 1 122 13 13 LYS HE3 H 3.252 0.040 1 123 13 13 LYS CA C 53.563 0.400 1 124 13 13 LYS CB C 29.125 0.400 1 125 13 13 LYS CG C 22.262 0.400 1 126 13 13 LYS CD C 26.554 0.400 1 127 13 13 LYS N N 117.600 0.400 1 128 14 14 THR H H 7.556 0.040 1 129 14 14 THR HA H 4.563 0.040 1 130 14 14 THR HB H 4.332 0.040 1 131 14 14 THR HG2 H 1.304 0.040 1 132 14 14 THR CA C 55.966 0.400 1 133 14 14 THR CB C 66.067 0.400 1 134 14 14 THR CG2 C 21.297 0.400 1 135 14 14 THR N N 111.976 0.400 1 136 15 15 PRO HA H 4.580 0.040 1 137 15 15 PRO HB2 H 2.416 0.040 2 138 15 15 PRO HB3 H 2.029 0.040 2 139 15 15 PRO HG2 H 2.146 0.040 2 140 15 15 PRO HD2 H 3.883 0.040 2 141 15 15 PRO HD3 H 3.729 0.040 2 142 15 15 PRO CA C 59.562 0.400 1 143 15 15 PRO CB C 29.579 0.400 1 144 15 15 PRO CG C 24.909 0.400 1 145 15 15 PRO CD C 47.982 0.400 1 146 16 16 ALA H H 8.449 0.040 1 147 16 16 ALA HA H 4.726 0.040 1 148 16 16 ALA HB H 1.610 0.040 1 149 16 16 ALA CA C 48.966 0.400 1 150 16 16 ALA CB C 16.792 0.400 1 151 16 16 ALA N N 122.241 0.400 1 152 17 17 SER H H 7.840 0.040 1 153 17 17 SER HA H 4.486 0.040 1 154 17 17 SER HB2 H 4.283 0.040 2 155 17 17 SER HB3 H 3.757 0.040 2 156 17 17 SER CA C 55.287 0.400 1 157 17 17 SER CB C 61.677 0.400 1 158 17 17 SER N N 115.025 0.400 1 159 18 18 SER H H 8.579 0.040 1 160 18 18 SER CA C 56.857 0.400 1 161 18 18 SER CB C 61.130 0.400 1 162 18 18 SER N N 122.297 0.400 1 163 19 19 SER H H 7.730 0.040 1 164 19 19 SER HA H 5.047 0.040 1 165 19 19 SER HB2 H 3.982 0.040 1 166 19 19 SER HB3 H 3.982 0.040 1 167 19 19 SER CA C 53.551 0.400 1 168 19 19 SER CB C 61.307 0.400 1 169 19 19 SER N N 116.122 0.400 1 170 20 20 PRO HA H 5.184 0.040 1 171 20 20 PRO HB2 H 2.555 0.040 2 172 20 20 PRO HB3 H 2.020 0.040 2 173 20 20 PRO HG2 H 2.276 0.040 2 174 20 20 PRO HG3 H 2.136 0.040 2 175 20 20 PRO HD2 H 3.948 0.040 2 176 20 20 PRO HD3 H 3.870 0.040 2 177 20 20 PRO CA C 60.641 0.400 1 178 20 20 PRO CB C 29.544 0.400 1 179 20 20 PRO CG C 25.146 0.400 1 180 20 20 PRO CD C 48.400 0.400 1 181 21 21 VAL H H 9.134 0.040 1 182 21 21 VAL HA H 5.330 0.040 1 183 21 21 VAL HB H 2.213 0.040 1 184 21 21 VAL HG1 H 0.977 0.040 1 185 21 21 VAL HG2 H 1.163 0.040 1 186 21 21 VAL CA C 57.225 0.400 1 187 21 21 VAL CB C 32.941 0.400 1 188 21 21 VAL CG1 C 18.380 0.400 1 189 21 21 VAL CG2 C 16.785 0.400 1 190 21 21 VAL N N 125.065 0.400 1 191 22 22 VAL H H 8.989 0.040 1 192 22 22 VAL HA H 4.774 0.040 1 193 22 22 VAL HB H 2.238 0.040 1 194 22 22 VAL HG1 H 1.115 0.040 1 195 22 22 VAL HG2 H 1.152 0.040 1 196 22 22 VAL CA C 58.941 0.400 1 197 22 22 VAL CB C 31.626 0.400 1 198 22 22 VAL CG1 C 20.676 0.400 1 199 22 22 VAL CG2 C 18.953 0.400 1 200 22 22 VAL N N 126.828 0.400 1 201 23 23 SER H H 9.436 0.040 1 202 23 23 SER HA H 5.569 0.040 1 203 23 23 SER HB2 H 3.651 0.040 2 204 23 23 SER HB3 H 3.413 0.040 2 205 23 23 SER CA C 52.958 0.400 1 206 23 23 SER CB C 62.544 0.400 1 207 23 23 SER N N 121.317 0.400 1 208 24 24 GLU H H 8.532 0.040 1 209 24 24 GLU CA C 50.297 0.400 1 210 24 24 GLU CB C 28.467 0.400 1 211 24 24 GLU N N 121.988 0.400 1 212 25 25 PHE H H 9.839 0.040 1 213 25 25 PHE HA H 5.633 0.040 1 214 25 25 PHE HB2 H 3.294 0.040 2 215 25 25 PHE HB3 H 3.061 0.040 2 216 25 25 PHE HE1 H 7.356 0.040 1 217 25 25 PHE HE2 H 7.356 0.040 1 218 25 25 PHE CA C 54.642 0.400 1 219 25 25 PHE CB C 37.986 0.400 1 220 25 25 PHE N N 129.056 0.400 1 221 26 26 PHE H H 9.081 0.040 1 222 26 26 PHE HA H 5.377 0.040 1 223 26 26 PHE HB2 H 3.018 0.040 2 224 26 26 PHE HB3 H 2.958 0.040 2 225 26 26 PHE CA C 52.124 0.400 1 226 26 26 PHE CB C 41.755 0.400 1 227 26 26 PHE N N 122.782 0.400 1 228 27 27 SER H H 7.608 0.040 1 229 27 27 SER HA H 3.498 0.040 1 230 27 27 SER HB2 H 3.396 0.040 1 231 27 27 SER HB3 H 3.396 0.040 1 232 27 27 SER CA C 52.467 0.400 1 233 27 27 SER CB C 62.456 0.400 1 234 27 27 SER N N 112.270 0.400 1 235 28 28 PHE H H 11.190 0.040 1 236 28 28 PHE HA H 4.498 0.040 1 237 28 28 PHE HB2 H 2.791 0.040 2 238 28 28 PHE HB3 H 2.500 0.040 2 239 28 28 PHE CA C 59.232 0.400 1 240 28 28 PHE CB C 36.014 0.400 1 241 28 28 PHE N N 130.587 0.400 1 242 29 29 TYR H H 8.468 0.040 1 243 29 29 TYR HA H 4.370 0.040 1 244 29 29 TYR HB2 H 3.397 0.040 2 245 29 29 TYR HB3 H 2.699 0.040 2 246 29 29 TYR CA C 58.609 0.400 1 247 29 29 TYR CB C 36.163 0.400 1 248 29 29 TYR N N 113.838 0.400 1 249 30 30 CYS H H 7.735 0.040 1 250 30 30 CYS HA H 5.123 0.040 1 251 30 30 CYS HB2 H 3.359 0.040 2 252 30 30 CYS HB3 H 3.023 0.040 2 253 30 30 CYS CA C 54.438 0.400 1 254 30 30 CYS N N 125.341 0.400 1 255 31 31 PRO CA C 61.644 0.400 1 256 31 31 PRO CB C 29.815 0.400 1 257 32 32 HIS H H 9.581 0.040 1 258 32 32 HIS HA H 4.704 0.040 1 259 32 32 HIS HB2 H 3.436 0.040 2 260 32 32 HIS HB3 H 3.237 0.040 2 261 32 32 HIS CA C 56.002 0.400 1 262 32 32 HIS CB C 27.590 0.400 1 263 32 32 HIS N N 126.707 0.400 1 264 33 33 CYS H H 10.519 0.040 1 265 33 33 CYS HA H 4.263 0.040 1 266 33 33 CYS HB2 H 3.111 0.040 1 267 33 33 CYS HB3 H 3.111 0.040 1 268 33 33 CYS CA C 62.563 0.400 1 269 33 33 CYS CB C 26.635 0.400 1 270 33 33 CYS N N 129.359 0.400 1 271 34 34 ASN H H 7.853 0.040 1 272 34 34 ASN HA H 3.273 0.040 1 273 34 34 ASN HB2 H 2.637 0.040 2 274 34 34 ASN HB3 H 2.030 0.040 2 275 34 34 ASN HD21 H 7.492 0.040 2 276 34 34 ASN HD22 H 6.803 0.040 2 277 34 34 ASN CA C 54.196 0.400 1 278 34 34 ASN CB C 35.963 0.400 1 279 34 34 ASN N N 118.289 0.400 1 280 34 34 ASN ND2 N 113.236 0.400 1 281 35 35 THR H H 7.934 0.040 1 282 35 35 THR HA H 4.039 0.040 1 283 35 35 THR HB H 4.485 0.040 1 284 35 35 THR HG2 H 1.447 0.040 1 285 35 35 THR CA C 62.364 0.400 1 286 35 35 THR CB C 68.75 0.400 1 287 35 35 THR CG2 C 19.871 0.400 1 288 35 35 THR N N 113.496 0.400 1 289 36 36 PHE H H 7.927 0.040 1 290 36 36 PHE HA H 4.424 0.040 1 291 36 36 PHE HB2 H 3.567 0.040 2 292 36 36 PHE HB3 H 2.970 0.040 2 293 36 36 PHE CA C 54.898 0.400 1 294 36 36 PHE CB C 38.357 0.400 1 295 36 36 PHE N N 120.282 0.400 1 296 37 37 GLU H H 7.243 0.040 1 297 37 37 GLU CA C 57.920 0.400 1 298 37 37 GLU N N 119.969 0.400 1 299 38 38 PRO HA H 4.474 0.040 1 300 38 38 PRO HB2 H 2.470 0.040 2 301 38 38 PRO HB3 H 1.837 0.040 2 302 38 38 PRO HG2 H 2.112 0.040 2 303 38 38 PRO HG3 H 2.061 0.040 2 304 38 38 PRO HD2 H 3.842 0.040 2 305 38 38 PRO HD3 H 3.611 0.040 2 306 38 38 PRO CA C 62.949 0.400 1 307 38 38 PRO CB C 28.641 0.400 1 308 38 38 PRO CG C 25.764 0.400 1 309 38 38 PRO CD C 47.264 0.400 1 310 39 39 ILE H H 7.209 0.040 1 311 39 39 ILE HA H 3.788 0.040 1 312 39 39 ILE HB H 1.599 0.040 1 313 39 39 ILE HG12 H 1.512 0.040 2 314 39 39 ILE HG13 H 1.188 0.040 2 315 39 39 ILE HG2 H 0.632 0.040 1 316 39 39 ILE HD1 H 0.833 0.040 1 317 39 39 ILE CA C 61.611 0.400 1 318 39 39 ILE CB C 33.513 0.400 1 319 39 39 ILE CG1 C 26.274 0.400 1 320 39 39 ILE CG2 C 14.993 0.400 1 321 39 39 ILE CD1 C 9.806 0.400 1 322 39 39 ILE N N 118.293 0.400 1 323 40 40 ILE H H 7.444 0.040 1 324 40 40 ILE HA H 3.661 0.040 1 325 40 40 ILE HB H 2.101 0.040 1 326 40 40 ILE HG12 H 1.331 0.040 1 327 40 40 ILE HG13 H 1.331 0.040 1 328 40 40 ILE HG2 H 0.681 0.040 1 329 40 40 ILE HD1 H 0.821 0.040 1 330 40 40 ILE CA C 58.349 0.400 1 331 40 40 ILE CB C 32.515 0.400 1 332 40 40 ILE CG1 C 24.186 0.400 1 333 40 40 ILE CG2 C 15.966 0.400 1 334 40 40 ILE CD1 C 7.088 0.400 1 335 40 40 ILE N N 121.403 0.400 1 336 41 41 ALA H H 8.206 0.040 1 337 41 41 ALA HA H 3.957 0.040 1 338 41 41 ALA HB H 1.529 0.040 1 339 41 41 ALA CA C 52.635 0.400 1 340 41 41 ALA CB C 15.398 0.400 1 341 41 41 ALA N N 121.152 0.400 1 342 42 42 GLN H H 7.249 0.040 1 343 42 42 GLN HA H 4.123 0.040 1 344 42 42 GLN HB2 H 2.368 0.040 1 345 42 42 GLN HB3 H 2.368 0.040 1 346 42 42 GLN HG2 H 2.664 0.040 2 347 42 42 GLN HG3 H 2.468 0.040 2 348 42 42 GLN HE21 H 7.217 0.040 2 349 42 42 GLN HE22 H 6.775 0.040 2 350 42 42 GLN CA C 56.169 0.400 1 351 42 42 GLN CB C 27.076 0.400 1 352 42 42 GLN CG C 32.140 0.400 1 353 42 42 GLN N N 116.414 0.400 1 354 42 42 GLN NE2 N 109.867 0.400 1 355 43 43 LEU H H 8.735 0.040 1 356 43 43 LEU HA H 3.591 0.040 1 357 43 43 LEU HB2 H 2.182 0.040 2 358 43 43 LEU HB3 H 1.792 0.040 2 359 43 43 LEU HG H 1.656 0.040 1 360 43 43 LEU HD1 H 1.162 0.040 1 361 43 43 LEU HD2 H 22.109 0.040 1 362 43 43 LEU CA C 55.572 0.400 1 363 43 43 LEU CB C 39.606 0.400 1 364 43 43 LEU CG C 24.655 0.400 1 365 43 43 LEU CD1 C 23.384 0.400 1 366 43 43 LEU CD2 C 22.169 0.400 1 367 43 43 LEU N N 122.553 0.400 1 368 44 44 LYS H H 8.229 0.040 1 369 44 44 LYS HA H 3.643 0.040 1 370 44 44 LYS HB2 H 1.673 0.040 2 371 44 44 LYS HB3 H 1.507 0.040 2 372 44 44 LYS HG2 H 1.152 0.040 2 373 44 44 LYS HG3 H 0.967 0.040 2 374 44 44 LYS HD2 H 1.394 0.040 2 375 44 44 LYS HD3 H 1.356 0.040 2 376 44 44 LYS HE2 H 2.872 0.040 2 377 44 44 LYS HE3 H 2.832 0.040 2 378 44 44 LYS CA C 57.116 0.400 1 379 44 44 LYS CB C 29.665 0.400 1 380 44 44 LYS CG C 22.406 0.400 1 381 44 44 LYS CD C 27.204 0.400 1 382 44 44 LYS CE C 39.106 0.400 1 383 44 44 LYS N N 116.235 0.400 1 384 45 45 GLN H H 7.182 0.040 1 385 45 45 GLN HA H 4.303 0.040 1 386 45 45 GLN HB2 H 2.337 0.040 2 387 45 45 GLN HB3 H 2.217 0.040 2 388 45 45 GLN HG2 H 2.630 0.040 2 389 45 45 GLN HG3 H 2.557 0.040 2 390 45 45 GLN CA C 54.496 0.400 1 391 45 45 GLN CB C 26.367 0.400 1 392 45 45 GLN CG C 31.362 0.400 1 393 45 45 GLN N N 115.165 0.400 1 394 46 46 GLN H H 7.551 0.040 1 395 46 46 GLN HA H 4.613 0.040 1 396 46 46 GLN HB2 H 2.137 0.040 2 397 46 46 GLN HB3 H 2.037 0.040 2 398 46 46 GLN HG2 H 2.027 0.040 1 399 46 46 GLN HG3 H 2.027 0.040 1 400 46 46 GLN HE21 H 7.064 0.040 2 401 46 46 GLN HE22 H 6.936 0.040 2 402 46 46 GLN CA C 51.667 0.400 1 403 46 46 GLN CB C 26.459 0.400 1 404 46 46 GLN CG C 29.894 0.400 1 405 46 46 GLN N N 114.993 0.400 1 406 46 46 GLN NE2 N 111.145 0.400 1 407 47 47 LEU H H 7.067 0.040 1 408 47 47 LEU HA H 4.523 0.040 1 409 47 47 LEU HB2 H 1.913 0.040 2 410 47 47 LEU HB3 H 1.459 0.040 2 411 47 47 LEU HG H 2.231 0.040 1 412 47 47 LEU HD1 H 1.046 0.040 1 413 47 47 LEU HD2 H 0.929 0.040 1 414 47 47 LEU CA C 50.651 0.400 1 415 47 47 LEU CB C 38.669 0.400 1 416 47 47 LEU CG C 23.321 0.400 1 417 47 47 LEU CD1 C 23.250 0.400 1 418 47 47 LEU CD2 C 21.165 0.400 1 419 47 47 LEU N N 121.063 0.400 1 420 48 48 PRO HA H 4.598 0.040 1 421 48 48 PRO HB2 H 2.471 0.040 2 422 48 48 PRO HB3 H 2.034 0.040 2 423 48 48 PRO HG2 H 2.175 0.040 2 424 48 48 PRO HG3 H 2.062 0.040 2 425 48 48 PRO HD2 H 4.063 0.040 2 426 48 48 PRO HD3 H 3.336 0.040 2 427 48 48 PRO CA C 59.768 0.400 1 428 48 48 PRO CB C 29.787 0.400 1 429 48 48 PRO CG C 24.791 0.400 1 430 48 48 PRO CD C 47.758 0.400 1 431 49 49 GLU H H 8.579 0.040 1 432 49 49 GLU HA H 4.204 0.040 1 433 49 49 GLU HB2 H 2.159 0.040 2 434 49 49 GLU HB3 H 2.114 0.040 2 435 49 49 GLU HG2 H 2.460 0.040 1 436 49 49 GLU HG3 H 2.460 0.040 1 437 49 49 GLU CA C 55.774 0.400 1 438 49 49 GLU CB C 26.983 0.400 1 439 49 49 GLU CG C 33.598 0.400 1 440 49 49 GLU N N 121.850 0.400 1 441 50 50 GLY H H 8.776 0.040 1 442 50 50 GLY HA2 H 4.390 0.040 2 443 50 50 GLY HA3 H 3.898 0.040 2 444 50 50 GLY CA C 42.620 0.400 1 445 50 50 GLY N N 112.196 0.400 1 446 51 51 ALA H H 7.805 0.040 1 447 51 51 ALA HA H 4.777 0.040 1 448 51 51 ALA HB H 1.472 0.040 1 449 51 51 ALA CA C 48.685 0.400 1 450 51 51 ALA CB C 17.671 0.400 1 451 51 51 ALA N N 122.083 0.400 1 452 52 52 LYS H H 7.857 0.040 1 453 52 52 LYS HA H 4.793 0.040 1 454 52 52 LYS HB2 H 1.994 0.040 2 455 52 52 LYS HB3 H 1.946 0.040 2 456 52 52 LYS HG2 H 1.704 0.040 2 457 52 52 LYS HG3 H 1.597 0.040 2 458 52 52 LYS HD2 H 1.853 0.040 1 459 52 52 LYS HD3 H 1.853 0.040 1 460 52 52 LYS HE2 H 3.157 0.040 1 461 52 52 LYS HE3 H 3.157 0.040 1 462 52 52 LYS CA C 52.503 0.400 1 463 52 52 LYS CB C 32.515 0.400 1 464 52 52 LYS CG C 22.595 0.400 1 465 52 52 LYS N N 121.691 0.400 1 466 53 53 PHE H H 8.719 0.040 1 467 53 53 PHE HA H 5.744 0.040 1 468 53 53 PHE HB2 H 3.139 0.040 2 469 53 53 PHE HB3 H 2.944 0.040 2 470 53 53 PHE HD1 H 7.174 0.040 1 471 53 53 PHE HD2 H 7.174 0.040 1 472 53 53 PHE HE1 H 7.174 0.040 1 473 53 53 PHE HE2 H 7.174 0.040 1 474 53 53 PHE HZ H 7.174 0.040 1 475 53 53 PHE CA C 53.802 0.400 1 476 53 53 PHE CB C 39.345 0.400 1 477 53 53 PHE N N 122.535 0.400 1 478 54 54 GLN H H 8.523 0.040 1 479 54 54 GLN HA H 4.578 0.040 1 480 54 54 GLN HB2 H 1.984 0.040 2 481 54 54 GLN HB3 H 1.862 0.040 2 482 54 54 GLN HG2 H 2.293 0.040 2 483 54 54 GLN HG3 H 2.180 0.040 2 484 54 54 GLN HE21 H 7.419 0.040 2 485 54 54 GLN HE22 H 6.761 0.040 2 486 54 54 GLN CA C 51.526 0.400 1 487 54 54 GLN CB C 29.409 0.400 1 488 54 54 GLN CG C 31.001 0.400 1 489 54 54 GLN N N 127.891 0.400 1 490 54 54 GLN NE2 N 110.246 0.400 1 491 55 55 LYS H H 8.549 0.040 1 492 55 55 LYS CA C 52.528 0.400 1 493 55 55 LYS N N 126.837 0.400 1 494 57 57 HIS H H 11.389 0.040 1 495 57 57 HIS HA H 4.109 0.040 1 496 57 57 HIS HB2 H 3.011 0.040 2 497 57 57 HIS HB3 H 2.509 0.040 2 498 57 57 HIS CA C 54.023 0.400 1 499 57 57 HIS CB C 27.768 0.400 1 500 57 57 HIS N N 112.645 0.400 1 501 58 58 VAL H H 7.340 0.040 1 502 58 58 VAL HA H 4.963 0.040 1 503 58 58 VAL HB H 1.917 0.040 1 504 58 58 VAL HG1 H 0.631 0.040 1 505 58 58 VAL HG2 H 0.262 0.040 1 506 58 58 VAL CA C 56.528 0.400 1 507 58 58 VAL CB C 30.392 0.400 1 508 58 58 VAL CG1 C 19.444 0.400 1 509 58 58 VAL CG2 C 16.239 0.400 1 510 58 58 VAL N N 117.412 0.400 1 511 59 59 SER H H 9.899 0.040 1 512 59 59 SER HB2 H 4.047 0.040 1 513 59 59 SER HB3 H 4.047 0.040 1 514 59 59 SER CA C 56.974 0.400 1 515 59 59 SER CB C 60.915 0.400 1 516 59 59 SER N N 117.794 0.400 1 517 60 60 PHE H H 6.942 0.040 1 518 60 60 PHE HA H 4.607 0.040 1 519 60 60 PHE HB2 H 3.417 0.040 2 520 60 60 PHE HB3 H 3.346 0.040 2 521 60 60 PHE CA C 56.471 0.400 1 522 60 60 PHE CB C 35.360 0.400 1 523 60 60 PHE N N 115.292 0.400 1 524 61 61 MET H H 6.705 0.040 1 525 61 61 MET CA C 52.391 0.400 1 526 61 61 MET CB C 31.947 0.400 1 527 61 61 MET N N 118.978 0.400 1 528 62 62 GLY H H 8.561 0.040 1 529 62 62 GLY HA2 H 3.482 0.040 2 530 62 62 GLY HA3 H 2.834 0.040 2 531 62 62 GLY CA C 41.145 0.400 1 532 62 62 GLY N N 108.277 0.400 1 533 63 63 GLY H H 8.583 0.040 1 534 63 63 GLY HA2 H 4.118 0.040 2 535 63 63 GLY HA3 H 3.929 0.040 2 536 63 63 GLY CA C 43.637 0.400 1 537 63 63 GLY N N 111.541 0.400 1 538 64 64 ASN HA H 4.753 0.040 1 539 64 64 ASN HB2 H 3.151 0.040 2 540 64 64 ASN HB3 H 3.079 0.040 2 541 64 64 ASN CA C 52.837 0.400 1 542 64 64 ASN CB C 35.093 0.400 1 543 65 65 MET H H 7.816 0.040 1 544 65 65 MET HA H 5.154 0.040 1 545 65 65 MET HB2 H 2.754 0.040 2 546 65 65 MET HB3 H 2.182 0.040 2 547 65 65 MET HG2 H 2.912 0.040 2 548 65 65 MET HG3 H 2.529 0.040 2 549 65 65 MET HE H 1.910 0.040 1 550 65 65 MET CA C 51.314 0.400 1 551 65 65 MET CB C 29.087 0.400 1 552 65 65 MET CG C 30.145 0.400 1 553 65 65 MET CE C 13.372 0.400 1 554 65 65 MET N N 117.999 0.400 1 555 66 66 GLY H H 7.907 0.040 1 556 66 66 GLY HA2 H 4.538 0.040 2 557 66 66 GLY HA3 H 4.166 0.040 2 558 66 66 GLY CA C 47.140 0.400 1 559 66 66 GLY N N 110.014 0.400 1 560 67 67 GLN H H 8.463 0.040 1 561 67 67 GLN HA H 4.396 0.040 1 562 67 67 GLN HB2 H 2.363 0.040 1 563 67 67 GLN HB3 H 2.363 0.040 1 564 67 67 GLN HG2 H 2.667 0.040 2 565 67 67 GLN HG3 H 2.514 0.040 2 566 67 67 GLN HE21 H 7.407 0.040 2 567 67 67 GLN HE22 H 6.845 0.040 2 568 67 67 GLN CA C 56.688 0.400 1 569 67 67 GLN CB C 25.695 0.400 1 570 67 67 GLN CG C 31.999 0.400 1 571 67 67 GLN N N 120.406 0.400 1 572 67 67 GLN NE2 N 111.207 0.400 1 573 68 68 ALA H H 8.054 0.040 1 574 68 68 ALA HA H 4.381 0.040 1 575 68 68 ALA HB H 1.804 0.040 1 576 68 68 ALA CA C 52.430 0.400 1 577 68 68 ALA CB C 15.916 0.400 1 578 68 68 ALA N N 122.898 0.400 1 579 69 69 MET H H 8.979 0.040 1 580 69 69 MET HA H 4.750 0.040 1 581 69 69 MET HB2 H 2.682 0.040 1 582 69 69 MET HB3 H 2.682 0.040 1 583 69 69 MET HG2 H 2.793 0.040 1 584 69 69 MET HG3 H 2.793 0.040 1 585 69 69 MET HE H 1.894 0.040 1 586 69 69 MET CA C 53.525 0.400 1 587 69 69 MET CB C 28.071 0.400 1 588 69 69 MET CG C 30.910 0.400 1 589 69 69 MET CE C 14.399 0.400 1 590 69 69 MET N N 118.959 0.400 1 591 70 70 SER H H 8.586 0.040 1 592 70 70 SER HA H 4.585 0.040 1 593 70 70 SER CA C 59.725 0.400 1 594 70 70 SER CB C 60.717 0.400 1 595 70 70 SER N N 118.456 0.400 1 596 71 71 LYS H H 8.767 0.040 1 597 71 71 LYS HA H 3.904 0.040 1 598 71 71 LYS HB2 H 2.217 0.040 2 599 71 71 LYS HB3 H 1.335 0.040 2 600 71 71 LYS HG2 H 1.833 0.040 2 601 71 71 LYS HG3 H 1.113 0.040 2 602 71 71 LYS HD2 H 1.581 0.040 2 603 71 71 LYS HD3 H 1.446 0.040 2 604 71 71 LYS HE2 H 2.624 0.040 2 605 71 71 LYS HE3 H 2.440 0.040 2 606 71 71 LYS CA C 57.638 0.400 1 607 71 71 LYS CB C 29.759 0.400 1 608 71 71 LYS CG C 24.573 0.400 1 609 71 71 LYS CD C 26.698 0.400 1 610 71 71 LYS CE C 39.345 0.400 1 611 71 71 LYS N N 122.824 0.400 1 612 72 72 ALA H H 9.534 0.040 1 613 72 72 ALA HA H 4.376 0.040 1 614 72 72 ALA HB H 2.176 0.040 1 615 72 72 ALA CA C 53.107 0.400 1 616 72 72 ALA CB C 15.975 0.400 1 617 72 72 ALA N N 125.965 0.400 1 618 73 73 TYR H H 8.732 0.040 1 619 73 73 TYR HA H 5.042 0.040 1 620 73 73 TYR HB2 H 3.492 0.040 2 621 73 73 TYR HB3 H 3.226 0.040 2 622 73 73 TYR HD1 H 7.052 0.040 1 623 73 73 TYR HD2 H 7.052 0.040 1 624 73 73 TYR HE1 H 7.052 0.040 1 625 73 73 TYR HE2 H 7.052 0.040 1 626 73 73 TYR CA C 59.309 0.400 1 627 73 73 TYR CB C 35.714 0.400 1 628 73 73 TYR N N 119.958 0.400 1 629 74 74 ALA H H 8.779 0.040 1 630 74 74 ALA HA H 4.222 0.040 1 631 74 74 ALA HB H 1.862 0.040 1 632 74 74 ALA CA C 52.574 0.400 1 633 74 74 ALA CB C 17.802 0.400 1 634 74 74 ALA N N 120.161 0.400 1 635 75 75 THR H H 8.668 0.040 1 636 75 75 THR HA H 3.712 0.040 1 637 75 75 THR HB H 4.579 0.040 1 638 75 75 THR HG2 H 0.990 0.040 1 639 75 75 THR CA C 65.527 0.400 1 640 75 75 THR CB C 64.803 0.400 1 641 75 75 THR CG2 C 19.390 0.400 1 642 75 75 THR N N 117.204 0.400 1 643 76 76 MET H H 8.353 0.040 1 644 76 76 MET HA H 4.135 0.040 1 645 76 76 MET HB2 H 2.897 0.040 2 646 76 76 MET HB3 H 1.708 0.040 2 647 76 76 MET HG2 H 2.578 0.040 1 648 76 76 MET HG3 H 2.578 0.040 1 649 76 76 MET HE H 1.916 0.040 1 650 76 76 MET CA C 57.423 0.400 1 651 76 76 MET CB C 28.873 0.400 1 652 76 76 MET CG C 31.432 0.400 1 653 76 76 MET CE C 16.652 0.400 1 654 76 76 MET N N 121.394 0.400 1 655 77 77 ILE H H 7.412 0.040 1 656 77 77 ILE HA H 3.958 0.040 1 657 77 77 ILE HB H 2.191 0.040 1 658 77 77 ILE HG12 H 1.399 0.040 2 659 77 77 ILE HG13 H 1.130 0.040 2 660 77 77 ILE HG2 H 1.106 0.040 1 661 77 77 ILE HD1 H 1.156 0.040 1 662 77 77 ILE CA C 61.878 0.400 1 663 77 77 ILE CB C 35.132 0.400 1 664 77 77 ILE CG1 C 24.730 0.400 1 665 77 77 ILE CG2 C 14.533 0.400 1 666 77 77 ILE CD1 C 11.339 0.400 1 667 77 77 ILE N N 117.573 0.400 1 668 78 78 ALA H H 8.597 0.040 1 669 78 78 ALA HA H 4.249 0.040 1 670 78 78 ALA HB H 1.552 0.040 1 671 78 78 ALA CA C 52.578 0.400 1 672 78 78 ALA CB C 15.574 0.400 1 673 78 78 ALA N N 124.270 0.400 1 674 79 79 LEU H H 8.316 0.040 1 675 79 79 LEU HA H 4.533 0.040 1 676 79 79 LEU HB2 H 1.988 0.040 1 677 79 79 LEU HB3 H 1.988 0.040 1 678 79 79 LEU HG H 1.032 0.040 1 679 79 79 LEU HD1 H 0.995 0.040 2 680 79 79 LEU HD2 H 0.995 0.040 2 681 79 79 LEU CA C 51.886 0.400 1 682 79 79 LEU CB C 40.503 0.400 1 683 79 79 LEU CG C 23.860 0.400 1 684 79 79 LEU CD1 C 20.105 0.400 1 685 79 79 LEU CD2 C 20.105 0.400 1 686 79 79 LEU N N 113.884 0.400 1 687 80 80 GLU H H 8.099 0.040 1 688 80 80 GLU HA H 4.501 0.040 1 689 80 80 GLU HB2 H 2.538 0.040 2 690 80 80 GLU HB3 H 2.497 0.040 2 691 80 80 GLU HG2 H 2.496 0.040 2 692 80 80 GLU HG3 H 2.364 0.040 2 693 80 80 GLU CA C 54.837 0.400 1 694 80 80 GLU CB C 24.357 0.400 1 695 80 80 GLU CG C 34.584 0.400 1 696 80 80 GLU N N 116.754 0.400 1 697 81 81 VAL H H 8.518 0.040 1 698 81 81 VAL HA H 5.318 0.040 1 699 81 81 VAL HB H 2.809 0.040 1 700 81 81 VAL HG1 H 1.157 0.040 1 701 81 81 VAL HG2 H 1.127 0.040 1 702 81 81 VAL CA C 56.859 0.400 1 703 81 81 VAL CB C 29.779 0.400 1 704 81 81 VAL CG1 C 17.524 0.400 1 705 81 81 VAL CG2 C 17.512 0.400 1 706 81 81 VAL N N 108.084 0.400 1 707 82 82 GLU H H 8.883 0.040 1 708 82 82 GLU HA H 4.019 0.040 1 709 82 82 GLU HB2 H 2.358 0.040 2 710 82 82 GLU HB3 H 2.140 0.040 2 711 82 82 GLU HG2 H 2.484 0.040 2 712 82 82 GLU HG3 H 2.352 0.040 2 713 82 82 GLU CA C 58.888 0.400 1 714 82 82 GLU CB C 27.678 0.400 1 715 82 82 GLU CG C 34.576 0.400 1 716 82 82 GLU N N 125.615 0.400 1 717 83 83 ASP H H 8.289 0.040 1 718 83 83 ASP HA H 4.349 0.040 1 719 83 83 ASP HB2 H 2.830 0.040 1 720 83 83 ASP HB3 H 2.830 0.040 1 721 83 83 ASP CA C 54.476 0.400 1 722 83 83 ASP CB C 37.287 0.400 1 723 83 83 ASP N N 116.500 0.400 1 724 84 84 LYS H H 7.515 0.040 1 725 84 84 LYS HA H 4.535 0.040 1 726 84 84 LYS HB2 H 2.091 0.040 2 727 84 84 LYS HB3 H 1.912 0.040 2 728 84 84 LYS HG2 H 1.646 0.040 2 729 84 84 LYS HG3 H 1.487 0.040 2 730 84 84 LYS HD2 H 1.903 0.040 1 731 84 84 LYS HD3 H 1.903 0.040 1 732 84 84 LYS HE2 H 3.267 0.040 1 733 84 84 LYS HE3 H 3.267 0.040 1 734 84 84 LYS CA C 54.704 0.400 1 735 84 84 LYS CB C 31.554 0.400 1 736 84 84 LYS CG C 22.172 0.400 1 737 84 84 LYS CD C 26.721 0.400 1 738 84 84 LYS CE C 39.697 0.400 1 739 84 84 LYS N N 116.733 0.400 1 740 85 85 MET H H 8.561 0.040 1 741 85 85 MET HA H 4.853 0.040 1 742 85 85 MET HB3 H 2.361 0.040 2 743 85 85 MET HG2 H 2.565 0.040 2 744 85 85 MET HG3 H 2.340 0.040 2 745 85 85 MET HE H 1.079 0.040 1 746 85 85 MET CA C 52.187 0.400 1 747 85 85 MET CB C 27.470 0.400 1 748 85 85 MET CE C 10.683 0.400 1 749 85 85 MET N N 113.260 0.400 1 750 86 86 VAL H H 8.840 0.040 1 751 86 86 VAL HA H 4.370 0.040 1 752 86 86 VAL HB H 2.896 0.040 1 753 86 86 VAL HG1 H 1.816 0.040 1 754 86 86 VAL HG2 H 1.428 0.040 1 755 86 86 VAL CA C 66.078 0.400 1 756 86 86 VAL CB C 27.133 0.400 1 757 86 86 VAL CG1 C 23.502 0.400 1 758 86 86 VAL CG2 C 19.256 0.400 1 759 86 86 VAL N N 122.227 0.400 1 760 87 87 PRO HA H 4.879 0.040 1 761 87 87 PRO HB2 H 2.604 0.040 2 762 87 87 PRO HB3 H 2.132 0.040 2 763 87 87 PRO HG2 H 2.384 0.040 2 764 87 87 PRO HG3 H 2.300 0.040 2 765 87 87 PRO HD2 H 3.916 0.040 1 766 87 87 PRO HD3 H 3.916 0.040 1 767 87 87 PRO CA C 63.109 0.400 1 768 87 87 PRO CB C 28.285 0.400 1 769 87 87 PRO CD C 47.274 0.400 1 770 88 88 VAL H H 6.754 0.040 1 771 88 88 VAL HA H 3.864 0.040 1 772 88 88 VAL HB H 2.169 0.040 1 773 88 88 VAL HG1 H 1.236 0.040 1 774 88 88 VAL HG2 H 0.865 0.040 1 775 88 88 VAL CA C 63.377 0.400 1 776 88 88 VAL CB C 29.694 0.400 1 777 88 88 VAL CG1 C 20.472 0.400 1 778 88 88 VAL CG2 C 18.193 0.400 1 779 88 88 VAL N N 116.924 0.400 1 780 89 89 MET H H 8.338 0.040 1 781 89 89 MET HA H 4.303 0.040 1 782 89 89 MET HB2 H 1.319 0.040 1 783 89 89 MET HB3 H 1.319 0.040 1 784 89 89 MET HG2 H 1.603 0.040 2 785 89 89 MET HG3 H 1.351 0.040 2 786 89 89 MET HE H 1.605 0.040 1 787 89 89 MET CA C 54.279 0.400 1 788 89 89 MET CB C 27.574 0.400 1 789 89 89 MET CG C 29.403 0.400 1 790 89 89 MET CE C 13.991 0.400 1 791 89 89 MET N N 121.247 0.400 1 792 90 90 PHE H H 8.402 0.040 1 793 90 90 PHE HA H 4.761 0.040 1 794 90 90 PHE HB2 H 3.896 0.040 2 795 90 90 PHE HB3 H 3.262 0.040 2 796 90 90 PHE CA C 61.146 0.400 1 797 90 90 PHE CB C 36.344 0.400 1 798 90 90 PHE N N 117.036 0.400 1 799 91 91 ASN H H 8.572 0.040 1 800 91 91 ASN HA H 4.772 0.040 1 801 91 91 ASN HB2 H 3.161 0.040 2 802 91 91 ASN HB3 H 3.011 0.040 2 803 91 91 ASN HD21 H 7.932 0.040 2 804 91 91 ASN HD22 H 7.087 0.040 2 805 91 91 ASN CA C 54.218 0.400 1 806 91 91 ASN CB C 36.896 0.400 1 807 91 91 ASN N N 116.975 0.400 1 808 91 91 ASN ND2 N 113.709 0.400 1 809 92 92 ARG H H 8.732 0.040 1 810 92 92 ARG HA H 4.013 0.040 1 811 92 92 ARG HB2 H 2.185 0.040 2 812 92 92 ARG HB3 H 2.113 0.040 2 813 92 92 ARG HG2 H 1.743 0.040 1 814 92 92 ARG HG3 H 1.743 0.040 1 815 92 92 ARG HD2 H 3.324 0.040 2 816 92 92 ARG HD3 H 3.270 0.040 2 817 92 92 ARG CA C 55.752 0.400 1 818 92 92 ARG CB C 27.157 0.400 1 819 92 92 ARG CD C 40.201 0.400 1 820 92 92 ARG N N 121.933 0.400 1 821 93 93 ILE H H 7.459 0.040 1 822 93 93 ILE HA H 3.393 0.040 1 823 93 93 ILE HB H 1.612 0.040 1 824 93 93 ILE HG12 H 1.724 0.040 2 825 93 93 ILE HG13 H 0.718 0.040 2 826 93 93 ILE HG2 H 0.363 0.040 1 827 93 93 ILE HD1 H 0.439 0.040 1 828 93 93 ILE CA C 62.670 0.400 1 829 93 93 ILE CB C 37.568 0.400 1 830 93 93 ILE CG1 C 26.717 0.400 1 831 93 93 ILE CG2 C 14.159 0.400 1 832 93 93 ILE CD1 C 11.463 0.400 1 833 93 93 ILE N N 114.698 0.400 1 834 94 94 HIS H H 8.451 0.040 1 835 94 94 HIS HB2 H 3.339 0.040 2 836 94 94 HIS HB3 H 3.225 0.040 2 837 94 94 HIS CA C 56.493 0.400 1 838 94 94 HIS CB C 29.970 0.400 1 839 94 94 HIS N N 115.344 0.400 1 840 95 95 THR H H 8.182 0.040 1 841 95 95 THR HA H 4.620 0.040 1 842 95 95 THR HB H 4.579 0.040 1 843 95 95 THR HG2 H 1.405 0.040 1 844 95 95 THR CA C 62.582 0.400 1 845 95 95 THR CB C 65.779 0.400 1 846 95 95 THR CG2 C 20.013 0.400 1 847 95 95 THR N N 117.197 0.400 1 848 96 96 LEU H H 8.378 0.040 1 849 96 96 LEU HA H 4.359 0.040 1 850 96 96 LEU HB2 H 2.177 0.040 2 851 96 96 LEU HB3 H 1.645 0.040 2 852 96 96 LEU HG H 1.752 0.040 1 853 96 96 LEU HD1 H 1.056 0.040 1 854 96 96 LEU HD2 H 1.019 0.040 1 855 96 96 LEU CA C 53.145 0.400 1 856 96 96 LEU CB C 38.599 0.400 1 857 96 96 LEU CG C 24.385 0.400 1 858 96 96 LEU CD1 C 22.656 0.400 1 859 96 96 LEU CD2 C 20.171 0.400 1 860 96 96 LEU N N 118.270 0.400 1 861 97 97 ARG H H 6.647 0.040 1 862 97 97 ARG HA H 4.170 0.040 1 863 97 97 ARG HB2 H 2.188 0.040 2 864 97 97 ARG HB3 H 2.114 0.040 2 865 97 97 ARG HG2 H 1.633 0.040 1 866 97 97 ARG HG3 H 1.633 0.040 1 867 97 97 ARG HD2 H 3.395 0.040 1 868 97 97 ARG HD3 H 3.395 0.040 1 869 97 97 ARG CA C 53.598 0.400 1 870 97 97 ARG CB C 24.040 0.400 1 871 97 97 ARG CG C 24.854 0.400 1 872 97 97 ARG CD C 41.129 0.400 1 873 97 97 ARG N N 109.763 0.400 1 874 98 98 LYS H H 8.233 0.040 1 875 98 98 LYS HA H 4.969 0.040 1 876 98 98 LYS HB2 H 1.969 0.040 2 877 98 98 LYS HB3 H 1.425 0.040 2 878 98 98 LYS HG2 H 1.550 0.040 1 879 98 98 LYS HG3 H 1.550 0.040 1 880 98 98 LYS HD2 H 1.764 0.040 1 881 98 98 LYS HD3 H 1.764 0.040 1 882 98 98 LYS HE2 H 3.122 0.040 1 883 98 98 LYS HE3 H 3.122 0.040 1 884 98 98 LYS CA C 50.525 0.400 1 885 98 98 LYS CB C 31.195 0.400 1 886 98 98 LYS CD C 26.808 0.400 1 887 98 98 LYS N N 117.491 0.400 1 888 99 99 PRO HA H 4.357 0.040 1 889 99 99 PRO HB2 H 2.493 0.040 2 890 99 99 PRO HB3 H 2.299 0.040 2 891 99 99 PRO HG2 H 2.232 0.040 1 892 99 99 PRO HG3 H 2.232 0.040 1 893 99 99 PRO HD2 H 3.809 0.040 2 894 99 99 PRO HD3 H 3.518 0.040 2 895 99 99 PRO CA C 58.787 0.400 1 896 99 99 PRO CB C 27.852 0.400 1 897 99 99 PRO CG C 24.854 0.400 1 898 99 99 PRO CD C 47.473 0.400 1 899 100 100 PRO HA H 4.722 0.040 1 900 100 100 PRO HB2 H 2.127 0.040 2 901 100 100 PRO HB3 H 1.982 0.040 2 902 100 100 PRO HG2 H 2.277 0.040 2 903 100 100 PRO HG3 H 1.944 0.040 2 904 100 100 PRO HD2 H 3.630 0.040 2 905 100 100 PRO HD3 H 3.424 0.040 2 906 100 100 PRO CA C 59.248 0.400 1 907 100 100 PRO CB C 28.135 0.400 1 908 100 100 PRO CG C 25.444 0.400 1 909 100 100 PRO CD C 46.297 0.400 1 910 101 101 LYS H H 9.356 0.040 1 911 101 101 LYS HA H 4.341 0.040 1 912 101 101 LYS HB2 H 1.978 0.040 1 913 101 101 LYS HB3 H 1.978 0.040 1 914 101 101 LYS HG2 H 1.674 0.040 2 915 101 101 LYS HG3 H 1.604 0.040 2 916 101 101 LYS HD2 H 1.873 0.040 1 917 101 101 LYS HD3 H 1.873 0.040 1 918 101 101 LYS HE2 H 3.215 0.040 1 919 101 101 LYS HE3 H 3.215 0.040 1 920 101 101 LYS CA C 54.882 0.400 1 921 101 101 LYS CB C 30.712 0.400 1 922 101 101 LYS CG C 22.094 0.400 1 923 101 101 LYS CD C 26.423 0.400 1 924 101 101 LYS CE C 39.764 0.400 1 925 101 101 LYS N N 123.402 0.400 1 926 102 102 ASP H H 7.608 0.040 1 927 102 102 ASP HA H 5.143 0.040 1 928 102 102 ASP HB2 H 3.317 0.040 2 929 102 102 ASP HB3 H 3.135 0.040 2 930 102 102 ASP CA C 50.229 0.400 1 931 102 102 ASP CB C 39.686 0.400 1 932 102 102 ASP N N 113.742 0.400 1 933 103 103 GLU H H 9.015 0.040 1 934 103 103 GLU HA H 4.052 0.040 1 935 103 103 GLU HB2 H 2.320 0.040 2 936 103 103 GLU HB3 H 2.269 0.040 2 937 103 103 GLU HG2 H 2.664 0.040 2 938 103 103 GLU HG3 H 2.431 0.040 2 939 103 103 GLU CA C 57.973 0.400 1 940 103 103 GLU CB C 27.613 0.400 1 941 103 103 GLU CG C 36.428 0.400 1 942 103 103 GLU N N 117.262 0.400 1 943 104 104 GLN H H 8.380 0.040 1 944 104 104 GLN HA H 4.234 0.040 1 945 104 104 GLN HB2 H 2.357 0.040 2 946 104 104 GLN HB3 H 2.308 0.040 2 947 104 104 GLN HG2 H 2.580 0.040 1 948 104 104 GLN HG3 H 2.580 0.040 1 949 104 104 GLN CA C 56.815 0.400 1 950 104 104 GLN CB C 25.161 0.400 1 951 104 104 GLN CG C 31.654 0.400 1 952 104 104 GLN N N 122.714 0.400 1 953 105 105 GLU H H 8.898 0.040 1 954 105 105 GLU HA H 4.159 0.040 1 955 105 105 GLU HB2 H 1.96 0.040 2 956 105 105 GLU HB3 H 2.130 0.040 2 957 105 105 GLU HG2 H 2.812 0.040 2 958 105 105 GLU HG3 H 2.348 0.040 2 959 105 105 GLU CA C 56.953 0.400 1 960 105 105 GLU CB C 27.745 0.400 1 961 105 105 GLU CG C 34.586 0.400 1 962 105 105 GLU N N 122.618 0.400 1 963 106 106 LEU H H 7.833 0.040 1 964 106 106 LEU HA H 4.024 0.040 1 965 106 106 LEU HB2 H 2.194 0.040 2 966 106 106 LEU HB3 H 1.525 0.040 2 967 106 106 LEU HG H 1.733 0.040 1 968 106 106 LEU HD1 H 1.202 0.040 1 969 106 106 LEU HD2 H 1.147 0.040 1 970 106 106 LEU CA C 55.668 0.400 1 971 106 106 LEU CB C 40.738 0.400 1 972 106 106 LEU CG C 24.688 0.400 1 973 106 106 LEU CD1 C 24.230 0.400 1 974 106 106 LEU CD2 C 22.511 0.400 1 975 106 106 LEU N N 119.771 0.400 1 976 107 107 ARG H H 7.681 0.040 1 977 107 107 ARG HA H 3.163 0.040 1 978 107 107 ARG HB2 H 1.898 0.040 2 979 107 107 ARG HB3 H 1.585 0.040 2 980 107 107 ARG HG2 H 1.188 0.040 2 981 107 107 ARG HG3 H 0.786 0.040 2 982 107 107 ARG CA C 55.691 0.400 1 983 107 107 ARG CB C 27.482 0.400 1 984 107 107 ARG CG C 24.416 0.400 1 985 107 107 ARG N N 119.004 0.400 1 986 108 108 GLN H H 7.916 0.040 1 987 108 108 GLN HA H 3.690 0.040 1 988 108 108 GLN HB2 H 2.352 0.040 1 989 108 108 GLN HB3 H 2.352 0.040 1 990 108 108 GLN HG2 H 2.670 0.040 2 991 108 108 GLN HG3 H 2.539 0.040 2 992 108 108 GLN HE21 H 8.110 0.040 2 993 108 108 GLN HE22 H 6.896 0.040 2 994 108 108 GLN CA C 55.639 0.400 1 995 108 108 GLN CB C 25.658 0.400 1 996 108 108 GLN CG C 30.732 0.400 1 997 108 108 GLN N N 119.367 0.400 1 998 108 108 GLN NE2 N 116.214 0.400 1 999 109 109 ILE H H 7.653 0.040 1 1000 109 109 ILE HA H 3.730 0.040 1 1001 109 109 ILE HB H 2.155 0.040 1 1002 109 109 ILE HG12 H 2.214 0.040 2 1003 109 109 ILE HG13 H 0.980 0.040 2 1004 109 109 ILE HG2 H 0.716 0.040 1 1005 109 109 ILE HD1 H 0.949 0.040 1 1006 109 109 ILE CA C 62.864 0.400 1 1007 109 109 ILE CB C 35.249 0.400 1 1008 109 109 ILE CG1 C 26.430 0.400 1 1009 109 109 ILE CG2 C 13.800 0.400 1 1010 109 109 ILE CD1 C 12.411 0.400 1 1011 109 109 ILE N N 118.053 0.400 1 1012 110 110 PHE H H 7.242 0.040 1 1013 110 110 PHE HA H 4.122 0.040 1 1014 110 110 PHE HB2 H 3.115 0.040 2 1015 110 110 PHE HB3 H 2.503 0.040 2 1016 110 110 PHE HD1 H 7.585 0.040 1 1017 110 110 PHE HD2 H 7.585 0.040 1 1018 110 110 PHE CA C 58.229 0.400 1 1019 110 110 PHE CB C 35.741 0.400 1 1020 110 110 PHE N N 115.423 0.400 1 1021 111 111 LEU H H 7.908 0.040 1 1022 111 111 LEU HA H 4.452 0.040 1 1023 111 111 LEU HB2 H 1.821 0.040 1 1024 111 111 LEU HB3 H 1.821 0.040 1 1025 111 111 LEU HG H 1.871 0.040 1 1026 111 111 LEU HD1 H 0.855 0.040 1 1027 111 111 LEU HD2 H 0.825 0.040 1 1028 111 111 LEU CA C 55.463 0.400 1 1029 111 111 LEU CB C 37.279 0.400 1 1030 111 111 LEU CG C 24.941 0.400 1 1031 111 111 LEU CD1 C 21.698 0.400 1 1032 111 111 LEU CD2 C 20.488 0.400 1 1033 111 111 LEU N N 121.325 0.400 1 1034 112 112 ASP H H 9.090 0.040 1 1035 112 112 ASP HA H 4.581 0.040 1 1036 112 112 ASP HB2 H 2.977 0.040 2 1037 112 112 ASP HB3 H 2.851 0.040 2 1038 112 112 ASP CA C 54.180 0.400 1 1039 112 112 ASP CB C 37.532 0.400 1 1040 112 112 ASP N N 121.233 0.400 1 1041 113 113 GLU H H 7.339 0.040 1 1042 113 113 GLU HA H 4.572 0.040 1 1043 113 113 GLU HB2 H 2.391 0.040 2 1044 113 113 GLU HB3 H 2.045 0.040 2 1045 113 113 GLU HG2 H 2.579 0.040 2 1046 113 113 GLU HG3 H 2.276 0.040 2 1047 113 113 GLU CA C 52.334 0.400 1 1048 113 113 GLU CB C 26.837 0.400 1 1049 113 113 GLU CG C 33.412 0.400 1 1050 113 113 GLU N N 117.110 0.400 1 1051 114 114 GLY H H 8.052 0.040 1 1052 114 114 GLY HA2 H 4.417 0.040 2 1053 114 114 GLY HA3 H 3.899 0.040 2 1054 114 114 GLY CA C 43.080 0.400 1 1055 114 114 GLY N N 106.526 0.400 1 1056 115 115 ILE H H 7.496 0.040 1 1057 115 115 ILE HA H 4.237 0.040 1 1058 115 115 ILE HB H 1.923 0.040 1 1059 115 115 ILE HG12 H 1.783 0.040 1 1060 115 115 ILE HG13 H 1.783 0.040 1 1061 115 115 ILE HG2 H 1.266 0.040 1 1062 115 115 ILE HD1 H 1.208 0.040 1 1063 115 115 ILE CA C 57.811 0.400 1 1064 115 115 ILE CB C 34.444 0.400 1 1065 115 115 ILE CG1 C 27.833 0.400 1 1066 115 115 ILE CG2 C 16.648 0.400 1 1067 115 115 ILE CD1 C 10.670 0.400 1 1068 115 115 ILE N N 122.791 0.400 1 1069 116 116 ASP H H 8.506 0.040 1 1070 116 116 ASP HA H 4.556 0.040 1 1071 116 116 ASP HB2 H 2.936 0.040 2 1072 116 116 ASP HB3 H 2.818 0.040 2 1073 116 116 ASP CA C 52.402 0.400 1 1074 116 116 ASP CB C 40.630 0.400 1 1075 116 116 ASP N N 127.809 0.400 1 1076 117 117 ALA H H 8.776 0.040 1 1077 117 117 ALA HA H 4.002 0.040 1 1078 117 117 ALA HB H 1.604 0.040 1 1079 117 117 ALA CA C 53.221 0.400 1 1080 117 117 ALA CB C 16.565 0.400 1 1081 117 117 ALA N N 129.844 0.400 1 1082 118 118 ALA H H 8.217 0.040 1 1083 118 118 ALA HA H 4.401 0.040 1 1084 118 118 ALA HB H 1.659 0.040 1 1085 118 118 ALA CA C 52.430 0.400 1 1086 118 118 ALA CB C 15.502 0.400 1 1087 118 118 ALA N N 118.081 0.400 1 1088 119 119 LYS H H 8.048 0.040 1 1089 119 119 LYS HA H 4.240 0.040 1 1090 119 119 LYS HB2 H 2.169 0.040 2 1091 119 119 LYS HB3 H 2.010 0.040 2 1092 119 119 LYS HG2 H 1.864 0.040 2 1093 119 119 LYS HG3 H 1.646 0.040 2 1094 119 119 LYS HD2 H 1.969 0.040 1 1095 119 119 LYS HD3 H 1.969 0.040 1 1096 119 119 LYS HE2 H 3.222 0.040 1 1097 119 119 LYS HE3 H 3.222 0.040 1 1098 119 119 LYS CA C 56.285 0.400 1 1099 119 119 LYS CB C 29.979 0.400 1 1100 119 119 LYS CG C 23.089 0.400 1 1101 119 119 LYS CD C 26.564 0.400 1 1102 119 119 LYS CE C 39.836 0.400 1 1103 119 119 LYS N N 118.704 0.400 1 1104 120 120 PHE H H 8.616 0.040 1 1105 120 120 PHE HA H 3.846 0.040 1 1106 120 120 PHE HB2 H 3.251 0.040 2 1107 120 120 PHE HB3 H 2.829 0.040 2 1108 120 120 PHE HD1 H 6.936 0.040 1 1109 120 120 PHE HD2 H 6.936 0.040 1 1110 120 120 PHE CA C 60.448 0.400 1 1111 120 120 PHE CB C 36.365 0.400 1 1112 120 120 PHE N N 120.201 0.400 1 1113 121 121 ASP H H 9.137 0.040 1 1114 121 121 ASP HA H 4.365 0.040 1 1115 121 121 ASP HB2 H 2.839 0.040 1 1116 121 121 ASP HB3 H 2.839 0.040 1 1117 121 121 ASP CA C 55.174 0.400 1 1118 121 121 ASP CB C 37.350 0.400 1 1119 121 121 ASP N N 119.738 0.400 1 1120 122 122 ALA H H 7.740 0.040 1 1121 122 122 ALA HA H 4.275 0.040 1 1122 122 122 ALA HB H 1.631 0.040 1 1123 122 122 ALA CA C 51.709 0.400 1 1124 122 122 ALA CB C 15.887 0.400 1 1125 122 122 ALA N N 119.988 0.400 1 1126 123 123 ALA H H 7.536 0.040 1 1127 123 123 ALA HA H 4.324 0.040 1 1128 123 123 ALA HB H 1.473 0.040 1 1129 123 123 ALA CA C 51.521 0.400 1 1130 123 123 ALA CB C 16.605 0.400 1 1131 123 123 ALA N N 118.934 0.400 1 1132 124 124 TYR H H 9.092 0.040 1 1133 124 124 TYR HA H 3.896 0.040 1 1134 124 124 TYR HB2 H 2.249 0.040 2 1135 124 124 TYR HB3 H 1.887 0.040 2 1136 124 124 TYR HE1 H 6.815 0.040 1 1137 124 124 TYR HE2 H 6.815 0.040 1 1138 124 124 TYR CA C 58.961 0.400 1 1139 124 124 TYR CB C 36.583 0.400 1 1140 124 124 TYR N N 120.204 0.400 1 1141 125 125 ASN H H 7.003 0.040 1 1142 125 125 ASN HA H 4.936 0.040 1 1143 125 125 ASN HB2 H 3.126 0.040 2 1144 125 125 ASN HB3 H 2.830 0.040 2 1145 125 125 ASN CA C 50.221 0.400 1 1146 125 125 ASN CB C 37.178 0.400 1 1147 125 125 ASN N N 109.704 0.400 1 1148 126 126 GLY H H 7.640 0.040 1 1149 126 126 GLY HA2 H 4.261 0.040 2 1150 126 126 GLY HA3 H 4.182 0.040 2 1151 126 126 GLY CA C 42.439 0.400 1 1152 126 126 GLY N N 107.711 0.400 1 1153 127 127 PHE H H 8.416 0.040 1 1154 127 127 PHE HA H 4.473 0.040 1 1155 127 127 PHE HB2 H 3.402 0.040 2 1156 127 127 PHE HB3 H 3.230 0.040 2 1157 127 127 PHE CA C 57.779 0.400 1 1158 127 127 PHE CB C 37.058 0.400 1 1159 127 127 PHE N N 119.056 0.400 1 1160 128 128 ALA H H 8.489 0.040 1 1161 128 128 ALA HA H 4.123 0.040 1 1162 128 128 ALA HB H 1.578 0.040 1 1163 128 128 ALA CA C 53.056 0.400 1 1164 128 128 ALA CB C 14.759 0.400 1 1165 128 128 ALA N N 124.793 0.400 1 1166 129 129 VAL H H 8.504 0.040 1 1167 129 129 VAL HA H 3.676 0.040 1 1168 129 129 VAL HB H 2.016 0.040 1 1169 129 129 VAL HG1 H 0.888 0.040 1 1170 129 129 VAL HG2 H 0.966 0.040 1 1171 129 129 VAL CA C 64.260 0.400 1 1172 129 129 VAL CB C 29.233 0.400 1 1173 129 129 VAL CG1 C 21.813 0.400 1 1174 129 129 VAL CG2 C 18.206 0.400 1 1175 129 129 VAL N N 120.674 0.400 1 1176 130 130 ASP H H 7.251 0.040 1 1177 130 130 ASP HA H 4.282 0.040 1 1178 130 130 ASP HB2 H 2.751 0.040 2 1179 130 130 ASP HB3 H 2.701 0.040 2 1180 130 130 ASP CA C 55.371 0.400 1 1181 130 130 ASP CB C 39.812 0.400 1 1182 130 130 ASP N N 119.498 0.400 1 1183 131 131 SER H H 8.279 0.040 1 1184 131 131 SER HA H 4.094 0.040 1 1185 131 131 SER HB2 H 3.920 0.040 2 1186 131 131 SER HB3 H 3.801 0.040 2 1187 131 131 SER CA C 58.893 0.400 1 1188 131 131 SER CB C 60.240 0.400 1 1189 131 131 SER N N 112.070 0.400 1 1190 132 132 MET H H 8.000 0.040 1 1191 132 132 MET HA H 3.770 0.040 1 1192 132 132 MET HB2 H 2.298 0.040 2 1193 132 132 MET HB3 H 1.672 0.040 2 1194 132 132 MET HG2 H 2.691 0.040 2 1195 132 132 MET HG3 H 2.361 0.040 2 1196 132 132 MET HE H 2.239 0.040 1 1197 132 132 MET CA C 57.042 0.400 1 1198 132 132 MET CB C 31.898 0.400 1 1199 132 132 MET CG C 30.227 0.400 1 1200 132 132 MET CE C 14.677 0.400 1 1201 132 132 MET N N 122.586 0.400 1 1202 133 133 VAL H H 7.919 0.040 1 1203 133 133 VAL HA H 3.713 0.040 1 1204 133 133 VAL HB H 2.333 0.040 1 1205 133 133 VAL HG1 H 1.138 0.040 1 1206 133 133 VAL HG2 H 1.227 0.040 1 1207 133 133 VAL CA C 63.763 0.400 1 1208 133 133 VAL CB C 28.756 0.400 1 1209 133 133 VAL CG1 C 20.676 0.400 1 1210 133 133 VAL CG2 C 19.016 0.400 1 1211 133 133 VAL N N 116.900 0.400 1 1212 134 134 ARG H H 7.690 0.040 1 1213 134 134 ARG HA H 4.324 0.040 1 1214 134 134 ARG HB2 H 2.180 0.040 2 1215 134 134 ARG HB3 H 2.007 0.040 2 1216 134 134 ARG HG2 H 1.977 0.040 2 1217 134 134 ARG HG3 H 1.861 0.040 2 1218 134 134 ARG HD2 H 3.411 0.040 2 1219 134 134 ARG HD3 H 3.254 0.040 2 1220 134 134 ARG CA C 56.745 0.400 1 1221 134 134 ARG CB C 27.412 0.400 1 1222 134 134 ARG CG C 25.916 0.400 1 1223 134 134 ARG CD C 40.881 0.400 1 1224 134 134 ARG N N 117.242 0.400 1 1225 135 135 ARG H H 7.701 0.040 1 1226 135 135 ARG HA H 4.320 0.040 1 1227 135 135 ARG HB2 H 2.157 0.040 2 1228 135 135 ARG HB3 H 2.052 0.040 2 1229 135 135 ARG HG2 H 1.972 0.040 2 1230 135 135 ARG HG3 H 1.868 0.040 2 1231 135 135 ARG HD2 H 3.369 0.040 2 1232 135 135 ARG HD3 H 3.292 0.040 2 1233 135 135 ARG CA C 56.873 0.400 1 1234 135 135 ARG CB C 27.213 0.400 1 1235 135 135 ARG CG C 24.858 0.400 1 1236 135 135 ARG CD C 40.968 0.400 1 1237 135 135 ARG N N 120.032 0.400 1 1238 136 136 PHE H H 8.801 0.040 1 1239 136 136 PHE HA H 4.939 0.040 1 1240 136 136 PHE HB2 H 4.043 0.040 2 1241 136 136 PHE HB3 H 3.715 0.040 2 1242 136 136 PHE CA C 55.198 0.400 1 1243 136 136 PHE CB C 36.315 0.400 1 1244 136 136 PHE N N 120.525 0.400 1 1245 137 137 ASP H H 8.042 0.040 1 1246 137 137 ASP HA H 4.991 0.040 1 1247 137 137 ASP HB2 H 2.943 0.040 1 1248 137 137 ASP HB3 H 2.943 0.040 1 1249 137 137 ASP CA C 55.091 0.400 1 1250 137 137 ASP CB C 38.329 0.400 1 1251 137 137 ASP N N 116.269 0.400 1 1252 138 138 LYS H H 8.604 0.040 1 1253 138 138 LYS HA H 4.349 0.040 1 1254 138 138 LYS HB2 H 2.186 0.040 1 1255 138 138 LYS HB3 H 2.186 0.040 1 1256 138 138 LYS HG2 H 1.674 0.040 1 1257 138 138 LYS HG3 H 1.674 0.040 1 1258 138 138 LYS CA C 56.849 0.400 1 1259 138 138 LYS CB C 30.167 0.400 1 1260 138 138 LYS CG C 22.253 0.400 1 1261 138 138 LYS N N 122.499 0.400 1 1262 139 139 GLN H H 8.916 0.040 1 1263 139 139 GLN HA H 4.367 0.040 1 1264 139 139 GLN HB2 H 2.715 0.040 2 1265 139 139 GLN HB3 H 2.526 0.040 2 1266 139 139 GLN HG2 H 2.954 0.040 2 1267 139 139 GLN HG3 H 2.732 0.040 2 1268 139 139 GLN HE21 H 7.527 0.040 2 1269 139 139 GLN HE22 H 7.021 0.040 2 1270 139 139 GLN CA C 56.758 0.400 1 1271 139 139 GLN CB C 26.443 0.400 1 1272 139 139 GLN CG C 32.712 0.400 1 1273 139 139 GLN N N 117.352 0.400 1 1274 139 139 GLN NE2 N 110.344 0.400 1 1275 140 140 PHE H H 8.040 0.040 1 1276 140 140 PHE HA H 3.612 0.040 1 1277 140 140 PHE HB2 H 3.528 0.040 2 1278 140 140 PHE HB3 H 3.337 0.040 2 1279 140 140 PHE CA C 59.069 0.400 1 1280 140 140 PHE CB C 37.065 0.400 1 1281 140 140 PHE N N 120.678 0.400 1 1282 141 141 GLN H H 8.545 0.040 1 1283 141 141 GLN HA H 4.141 0.040 1 1284 141 141 GLN HB2 H 2.467 0.040 2 1285 141 141 GLN HB3 H 2.387 0.040 2 1286 141 141 GLN HG2 H 2.807 0.040 2 1287 141 141 GLN HG3 H 2.675 0.040 2 1288 141 141 GLN HE21 H 7.542 0.040 2 1289 141 141 GLN HE22 H 6.906 0.040 2 1290 141 141 GLN CA C 56.397 0.400 1 1291 141 141 GLN CB C 26.209 0.400 1 1292 141 141 GLN CG C 31.676 0.400 1 1293 141 141 GLN N N 119.394 0.400 1 1294 141 141 GLN NE2 N 110.900 0.400 1 1295 142 142 ASP H H 9.465 0.040 1 1296 142 142 ASP HA H 4.509 0.040 1 1297 142 142 ASP HB2 H 2.923 0.040 2 1298 142 142 ASP HB3 H 2.736 0.040 2 1299 142 142 ASP CA C 54.514 0.400 1 1300 142 142 ASP CB C 37.441 0.400 1 1301 142 142 ASP N N 121.283 0.400 1 1302 143 143 SER H H 7.490 0.040 1 1303 143 143 SER HA H 4.324 0.040 1 1304 143 143 SER HB2 H 4.002 0.040 2 1305 143 143 SER HB3 H 3.814 0.040 2 1306 143 143 SER CA C 57.945 0.400 1 1307 143 143 SER CB C 61.363 0.400 1 1308 143 143 SER N N 112.139 0.400 1 1309 144 144 GLY H H 7.556 0.040 1 1310 144 144 GLY HA2 H 4.017 0.040 2 1311 144 144 GLY HA3 H 3.832 0.040 2 1312 144 144 GLY CA C 43.196 0.400 1 1313 144 144 GLY N N 107.701 0.400 1 1314 145 145 LEU H H 6.840 0.040 1 1315 145 145 LEU HA H 4.121 0.040 1 1316 145 145 LEU HB2 H 1.012 0.040 2 1317 145 145 LEU HB3 H 0.571 0.040 2 1318 145 145 LEU HG H 1.282 0.040 1 1319 145 145 LEU HD1 H 0.436 0.040 1 1320 145 145 LEU HD2 H 0.865 0.040 1 1321 145 145 LEU CA C 51.962 0.400 1 1322 145 145 LEU CB C 39.801 0.400 1 1323 145 145 LEU CG C 24.360 0.400 1 1324 145 145 LEU CD1 C 23.507 0.400 1 1325 145 145 LEU CD2 C 21.483 0.400 1 1326 145 145 LEU N N 118.849 0.400 1 1327 146 146 THR H H 8.326 0.040 1 1328 146 146 THR HA H 4.491 0.040 1 1329 146 146 THR HB H 4.505 0.040 1 1330 146 146 THR HG2 H 1.208 0.040 1 1331 146 146 THR CA C 58.575 0.400 1 1332 146 146 THR CB C 67.609 0.400 1 1333 146 146 THR CG2 C 18.889 0.400 1 1334 146 146 THR N N 106.183 0.400 1 1335 147 147 GLY H H 7.567 0.040 1 1336 147 147 GLY HA2 H 4.629 0.040 2 1337 147 147 GLY HA3 H 4.236 0.040 2 1338 147 147 GLY CA C 42.568 0.400 1 1339 147 147 GLY N N 108.728 0.400 1 1340 148 148 VAL H H 8.261 0.040 1 1341 148 148 VAL HA H 4.705 0.040 1 1342 148 148 VAL HB H 2.273 0.040 1 1343 148 148 VAL HG1 H 0.837 0.040 1 1344 148 148 VAL HG2 H 1.064 0.040 1 1345 148 148 VAL CA C 55.248 0.400 1 1346 148 148 VAL CB C 31.789 0.400 1 1347 148 148 VAL CG1 C 21.654 0.400 1 1348 148 148 VAL CG2 C 15.79 0.400 1 1349 148 148 VAL N N 108.606 0.400 1 1350 149 149 PRO HA H 5.287 0.040 1 1351 149 149 PRO HB2 H 1.962 0.040 1 1352 149 149 PRO HB3 H 1.962 0.040 1 1353 149 149 PRO HG2 H 1.664 0.040 1 1354 149 149 PRO HG3 H 1.664 0.040 1 1355 149 149 PRO HD2 H 3.072 0.040 1 1356 149 149 PRO HD3 H 3.072 0.040 1 1357 149 149 PRO CA C 59.235 0.400 1 1358 149 149 PRO CB C 32.765 0.400 1 1359 150 150 ALA H H 8.513 0.040 1 1360 150 150 ALA HA H 5.045 0.040 1 1361 150 150 ALA HB H 1.834 0.040 1 1362 150 150 ALA CA C 49.086 0.400 1 1363 150 150 ALA CB C 20.985 0.400 1 1364 150 150 ALA N N 123.473 0.400 1 1365 151 151 VAL H H 9.454 0.040 1 1366 151 151 VAL HA H 5.362 0.040 1 1367 151 151 VAL HB H 2.297 0.040 1 1368 151 151 VAL HG1 H 1.318 0.040 1 1369 151 151 VAL HG2 H 1.068 0.040 1 1370 151 151 VAL CA C 59.387 0.400 1 1371 151 151 VAL CB C 30.807 0.400 1 1372 151 151 VAL CG1 C 19.358 0.400 1 1373 151 151 VAL CG2 C 18.306 0.400 1 1374 151 151 VAL N N 125.774 0.400 1 1375 152 152 VAL H H 9.412 0.040 1 1376 152 152 VAL HA H 5.321 0.040 1 1377 152 152 VAL HB H 2.178 0.040 1 1378 152 152 VAL HG1 H 1.192 0.040 1 1379 152 152 VAL HG2 H 0.947 0.040 1 1380 152 152 VAL CA C 57.415 0.400 1 1381 152 152 VAL CB C 32.574 0.400 1 1382 152 152 VAL CG1 C 19.893 0.400 1 1383 152 152 VAL CG2 C 19.473 0.400 1 1384 152 152 VAL N N 127.187 0.400 1 1385 153 153 VAL H H 10.141 0.040 1 1386 153 153 VAL HA H 4.975 0.040 1 1387 153 153 VAL HB H 2.233 0.040 1 1388 153 153 VAL HG1 H 1.181 0.040 1 1389 153 153 VAL HG2 H 1.133 0.040 1 1390 153 153 VAL CA C 58.952 0.400 1 1391 153 153 VAL CB C 31.347 0.400 1 1392 153 153 VAL CG1 C 20.306 0.400 1 1393 153 153 VAL CG2 C 18.729 0.400 1 1394 153 153 VAL N N 130.198 0.400 1 1395 154 154 ASN H H 10.449 0.040 1 1396 154 154 ASN HA H 4.980 0.040 1 1397 154 154 ASN HB2 H 3.575 0.040 2 1398 154 154 ASN HB3 H 3.103 0.040 2 1399 154 154 ASN HD21 H 7.544 0.040 2 1400 154 154 ASN HD22 H 6.483 0.040 2 1401 154 154 ASN CA C 51.849 0.400 1 1402 154 154 ASN CB C 33.475 0.400 1 1403 154 154 ASN N N 128.306 0.400 1 1404 154 154 ASN ND2 N 108.217 0.400 1 1405 155 155 ASN H H 9.374 0.040 1 1406 155 155 ASN HA H 4.263 0.040 1 1407 155 155 ASN HB2 H 3.494 0.040 2 1408 155 155 ASN HB3 H 3.031 0.040 2 1409 155 155 ASN HD21 H 7.901 0.040 2 1410 155 155 ASN HD22 H 6.947 0.040 2 1411 155 155 ASN CA C 52.903 0.400 1 1412 155 155 ASN CB C 37.225 0.400 1 1413 155 155 ASN N N 113.155 0.400 1 1414 155 155 ASN ND2 N 110.574 0.400 1 1415 156 156 ARG H H 7.582 0.040 1 1416 156 156 ARG HA H 4.501 0.040 1 1417 156 156 ARG HB2 H 1.503 0.040 2 1418 156 156 ARG HB3 H 1.204 0.040 2 1419 156 156 ARG HG2 H 1.324 0.040 2 1420 156 156 ARG HG3 H 1.062 0.040 2 1421 156 156 ARG HD2 H 3.252 0.040 2 1422 156 156 ARG HD3 H 3.088 0.040 2 1423 156 156 ARG CA C 53.602 0.400 1 1424 156 156 ARG CB C 31.739 0.400 1 1425 156 156 ARG CG C 24.337 0.400 1 1426 156 156 ARG CD C 41.678 0.400 1 1427 156 156 ARG N N 117.568 0.400 1 1428 157 157 TYR H H 8.401 0.040 1 1429 157 157 TYR HA H 5.645 0.040 1 1430 157 157 TYR HB2 H 3.095 0.040 2 1431 157 157 TYR HB3 H 2.850 0.040 2 1432 157 157 TYR HD1 H 6.973 0.040 1 1433 157 157 TYR HD2 H 6.973 0.040 1 1434 157 157 TYR CA C 53.658 0.400 1 1435 157 157 TYR CB C 37.894 0.400 1 1436 157 157 TYR N N 117.911 0.400 1 1437 158 158 LEU H H 9.542 0.040 1 1438 158 158 LEU HA H 5.082 0.040 1 1439 158 158 LEU HB2 H 2.139 0.040 2 1440 158 158 LEU HB3 H 1.516 0.040 2 1441 158 158 LEU HG H 1.662 0.040 1 1442 158 158 LEU HD1 H 1.049 0.040 1 1443 158 158 LEU HD2 H 1.252 0.040 1 1444 158 158 LEU CA C 51.783 0.400 1 1445 158 158 LEU CB C 41.846 0.400 1 1446 158 158 LEU CG C 24.883 0.400 1 1447 158 158 LEU CD1 C 23.584 0.400 1 1448 158 158 LEU CD2 C 21.515 0.400 1 1449 158 158 LEU N N 127.956 0.400 1 1450 159 159 VAL H H 9.028 0.040 1 1451 159 159 VAL HA H 3.911 0.040 1 1452 159 159 VAL HB H 2.380 0.040 1 1453 159 159 VAL HG1 H 1.075 0.040 1 1454 159 159 VAL HG2 H 1.031 0.040 1 1455 159 159 VAL CA C 61.789 0.400 1 1456 159 159 VAL CB C 30.130 0.400 1 1457 159 159 VAL CG1 C 20.667 0.400 1 1458 159 159 VAL CG2 C 19.584 0.400 1 1459 159 159 VAL N N 129.011 0.400 1 1460 160 160 GLN H H 8.415 0.040 1 1461 160 160 GLN HA H 4.992 0.040 1 1462 160 160 GLN HB2 H 2.289 0.040 1 1463 160 160 GLN HB3 H 2.289 0.040 1 1464 160 160 GLN HG2 H 2.326 0.040 1 1465 160 160 GLN HG3 H 2.326 0.040 1 1466 160 160 GLN CA C 52.018 0.400 1 1467 160 160 GLN CB C 25.177 0.400 1 1468 160 160 GLN CG C 31.015 0.400 1 1469 160 160 GLN N N 128.073 0.400 1 1470 161 161 GLY H H 8.537 0.040 1 1471 161 161 GLY HA2 H 4.286 0.040 2 1472 161 161 GLY HA3 H 4.072 0.040 2 1473 161 161 GLY CA C 45.115 0.400 1 1474 161 161 GLY N N 112.587 0.400 1 1475 162 162 GLN H H 9.049 0.040 1 1476 162 162 GLN HA H 4.471 0.040 1 1477 162 162 GLN HB2 H 2.296 0.040 2 1478 162 162 GLN HB3 H 2.248 0.040 2 1479 162 162 GLN HG2 H 2.577 0.040 2 1480 162 162 GLN HG3 H 2.541 0.040 2 1481 162 162 GLN HE21 H 7.626 0.040 2 1482 162 162 GLN HE22 H 6.880 0.040 2 1483 162 162 GLN CA C 54.701 0.400 1 1484 162 162 GLN CB C 25.439 0.400 1 1485 162 162 GLN CG C 31.349 0.400 1 1486 162 162 GLN N N 118.792 0.400 1 1487 162 162 GLN NE2 N 111.696 0.400 1 1488 163 163 SER H H 8.160 0.040 1 1489 163 163 SER HA H 4.547 0.040 1 1490 163 163 SER HB2 H 4.164 0.040 2 1491 163 163 SER HB3 H 4.094 0.040 2 1492 163 163 SER CA C 56.909 0.400 1 1493 163 163 SER CB C 60.976 0.400 1 1494 163 163 SER N N 114.874 0.400 1 1495 164 164 ALA H H 7.733 0.040 1 1496 164 164 ALA HA H 4.831 0.040 1 1497 164 164 ALA HB H 1.686 0.040 1 1498 164 164 ALA CA C 48.998 0.400 1 1499 164 164 ALA CB C 16.581 0.400 1 1500 164 164 ALA N N 125.231 0.400 1 1501 165 165 LYS H H 9.182 0.040 1 1502 165 165 LYS HA H 4.426 0.040 1 1503 165 165 LYS HB2 H 2.137 0.040 2 1504 165 165 LYS HB3 H 2.056 0.040 2 1505 165 165 LYS HG2 H 1.777 0.040 2 1506 165 165 LYS HG3 H 1.698 0.040 2 1507 165 165 LYS HD2 H 1.928 0.040 1 1508 165 165 LYS HD3 H 1.928 0.040 1 1509 165 165 LYS HE2 H 3.259 0.040 1 1510 165 165 LYS HE3 H 3.259 0.040 1 1511 165 165 LYS CA C 54.408 0.400 1 1512 165 165 LYS CB C 29.859 0.400 1 1513 165 165 LYS CG C 22.407 0.400 1 1514 165 165 LYS CD C 26.236 0.400 1 1515 165 165 LYS CE C 39.692 0.400 1 1516 165 165 LYS N N 121.752 0.400 1 1517 166 166 SER H H 7.777 0.040 1 1518 166 166 SER HA H 4.813 0.040 1 1519 166 166 SER HB2 H 4.307 0.040 2 1520 166 166 SER HB3 H 4.144 0.040 2 1521 166 166 SER CA C 53.787 0.400 1 1522 166 166 SER CB C 63.101 0.400 1 1523 166 166 SER N N 111.097 0.400 1 1524 167 167 LEU H H 8.922 0.040 1 1525 167 167 LEU HA H 4.000 0.040 1 1526 167 167 LEU HB2 H 1.655 0.040 2 1527 167 167 LEU HB3 H 1.482 0.040 2 1528 167 167 LEU HG H 1.456 0.040 1 1529 167 167 LEU HD1 H 0.878 0.040 2 1530 167 167 LEU HD2 H 0.878 0.040 2 1531 167 167 LEU CA C 55.058 0.400 1 1532 167 167 LEU CB C 38.435 0.400 1 1533 167 167 LEU CG C 24.175 0.400 1 1534 167 167 LEU CD1 C 22.133 0.400 1 1535 167 167 LEU CD2 C 22.133 0.400 1 1536 167 167 LEU N N 123.661 0.400 1 1537 168 168 ASP H H 8.056 0.040 1 1538 168 168 ASP HA H 4.403 0.040 1 1539 168 168 ASP HB2 H 2.878 0.040 2 1540 168 168 ASP HB3 H 2.674 0.040 2 1541 168 168 ASP CA C 54.775 0.400 1 1542 168 168 ASP CB C 37.734 0.400 1 1543 168 168 ASP N N 115.615 0.400 1 1544 169 169 GLU H H 7.746 0.040 1 1545 169 169 GLU HA H 4.377 0.040 1 1546 169 169 GLU HB2 H 2.392 0.040 2 1547 169 169 GLU HB3 H 2.322 0.040 2 1548 169 169 GLU HG2 H 2.683 0.040 2 1549 169 169 GLU HG3 H 2.593 0.040 2 1550 169 169 GLU CA C 56.706 0.400 1 1551 169 169 GLU CB C 27.961 0.400 1 1552 169 169 GLU CG C 35.195 0.400 1 1553 169 169 GLU N N 119.385 0.400 1 1554 170 170 TYR H H 7.953 0.040 1 1555 170 170 TYR HA H 3.999 0.040 1 1556 170 170 TYR HB2 H 3.275 0.040 2 1557 170 170 TYR HB3 H 3.023 0.040 2 1558 170 170 TYR HD1 H 7.045 0.040 1 1559 170 170 TYR HD2 H 7.045 0.040 1 1560 170 170 TYR CA C 59.767 0.400 1 1561 170 170 TYR CB C 35.824 0.400 1 1562 170 170 TYR N N 121.391 0.400 1 1563 171 171 PHE H H 8.427 0.040 1 1564 171 171 PHE HA H 4.461 0.040 1 1565 171 171 PHE HB2 H 3.408 0.040 1 1566 171 171 PHE HB3 H 3.408 0.040 1 1567 171 171 PHE CA C 55.908 0.400 1 1568 171 171 PHE CB C 34.112 0.400 1 1569 171 171 PHE N N 117.039 0.400 1 1570 172 172 ASP H H 8.342 0.040 1 1571 172 172 ASP HA H 4.642 0.040 1 1572 172 172 ASP HB2 H 3.241 0.040 2 1573 172 172 ASP HB3 H 2.990 0.040 2 1574 172 172 ASP CA C 54.941 0.400 1 1575 172 172 ASP CB C 37.776 0.400 1 1576 172 172 ASP N N 120.487 0.400 1 1577 173 173 LEU H H 8.327 0.040 1 1578 173 173 LEU HA H 3.219 0.040 1 1579 173 173 LEU HB2 H 2.082 0.040 2 1580 173 173 LEU HB3 H 0.852 0.040 2 1581 173 173 LEU HG H 1.235 0.040 1 1582 173 173 LEU HD1 H 1.096 0.040 1 1583 173 173 LEU HD2 H 0.541 0.040 1 1584 173 173 LEU CA C 55.189 0.400 1 1585 173 173 LEU CB C 37.972 0.400 1 1586 173 173 LEU CD1 C 24.320 0.400 1 1587 173 173 LEU CD2 C 20.171 0.400 1 1588 173 173 LEU N N 124.189 0.400 1 1589 174 174 VAL H H 7.957 0.040 1 1590 174 174 VAL HA H 3.333 0.040 1 1591 174 174 VAL HB H 2.150 0.040 1 1592 174 174 VAL HG1 H 0.858 0.040 1 1593 174 174 VAL HG2 H 0.980 0.040 1 1594 174 174 VAL CA C 65.171 0.400 1 1595 174 174 VAL CB C 28.535 0.400 1 1596 174 174 VAL CG1 C 20.387 0.400 1 1597 174 174 VAL CG2 C 19.264 0.400 1 1598 174 174 VAL N N 119.598 0.400 1 1599 175 175 ASN H H 8.356 0.040 1 1600 175 175 ASN HA H 4.489 0.040 1 1601 175 175 ASN HB2 H 3.033 0.040 2 1602 175 175 ASN HB3 H 2.839 0.040 2 1603 175 175 ASN HD21 H 7.364 0.040 2 1604 175 175 ASN HD22 H 7.041 0.040 2 1605 175 175 ASN CA C 53.931 0.400 1 1606 175 175 ASN CB C 35.713 0.400 1 1607 175 175 ASN N N 116.379 0.400 1 1608 175 175 ASN ND2 N 108.740 0.400 1 1609 176 176 TYR H H 8.419 0.040 1 1610 176 176 TYR HA H 4.460 0.040 1 1611 176 176 TYR HB2 H 3.497 0.040 2 1612 176 176 TYR HB3 H 3.218 0.040 2 1613 176 176 TYR CA C 57.781 0.400 1 1614 176 176 TYR CB C 35.745 0.400 1 1615 176 176 TYR N N 121.674 0.400 1 1616 177 177 LEU H H 8.310 0.040 1 1617 177 177 LEU HA H 3.370 0.040 1 1618 177 177 LEU HB2 H 1.949 0.040 2 1619 177 177 LEU HB3 H 0.984 0.040 2 1620 177 177 LEU HG H 1.821 0.040 1 1621 177 177 LEU HD1 H 0.686 0.040 1 1622 177 177 LEU HD2 H -0.259 0.040 1 1623 177 177 LEU CA C 54.521 0.400 1 1624 177 177 LEU CB C 38.883 0.400 1 1625 177 177 LEU CG C 23.299 0.400 1 1626 177 177 LEU CD1 C 24.433 0.400 1 1627 177 177 LEU CD2 C 24.89 0.400 1 1628 177 177 LEU N N 121.575 0.400 1 1629 178 178 LEU H H 7.867 0.040 1 1630 178 178 LEU HA H 4.026 0.040 1 1631 178 178 LEU HB2 H 2.140 0.040 2 1632 178 178 LEU HB3 H 1.548 0.040 2 1633 178 178 LEU HG H 1.900 0.040 1 1634 178 178 LEU HD1 H 0.938 0.040 1 1635 178 178 LEU HD2 H 1.010 0.040 1 1636 178 178 LEU CA C 54.500 0.400 1 1637 178 178 LEU CB C 40.502 0.400 1 1638 178 178 LEU CG C 24.170 0.400 1 1639 178 178 LEU CD1 C 24.124 0.400 1 1640 178 178 LEU CD2 C 22.453 0.400 1 1641 178 178 LEU N N 117.139 0.400 1 1642 179 179 THR H H 7.612 0.040 1 1643 179 179 THR HA H 4.385 0.040 1 1644 179 179 THR HB H 4.508 0.040 1 1645 179 179 THR HG2 H 1.433 0.040 1 1646 179 179 THR CA C 59.179 0.400 1 1647 179 179 THR CB C 67.278 0.400 1 1648 179 179 THR CG2 C 18.974 0.400 1 1649 179 179 THR N N 107.762 0.400 1 1650 180 180 LEU H H 7.262 0.040 1 1651 180 180 LEU HA H 4.283 0.040 1 1652 180 180 LEU HB2 H 1.490 0.040 2 1653 180 180 LEU HB3 H 1.373 0.040 2 1654 180 180 LEU HG H 1.231 0.040 1 1655 180 180 LEU HD1 H 0.300 0.040 2 1656 180 180 LEU HD2 H 0.521 0.040 2 1657 180 180 LEU CA C 52.683 0.400 1 1658 180 180 LEU CB C 38.601 0.400 1 1659 180 180 LEU CG C 23.338 0.400 1 1660 180 180 LEU CD1 C 22.060 0.400 1 1661 180 180 LEU CD2 C 19.782 0.400 1 1662 180 180 LEU N N 124.672 0.400 1 1663 181 181 LYS H H 7.889 0.040 1 1664 181 181 LYS HA H 4.473 0.040 1 1665 181 181 LYS HB2 H 2.044 0.040 2 1666 181 181 LYS HB3 H 1.843 0.040 2 1667 181 181 LYS HE2 H 3.170 0.040 1 1668 181 181 LYS HE3 H 3.170 0.040 1 1669 181 181 LYS CA C 54.434 0.400 1 1670 181 181 LYS CB C 31.501 0.400 1 1671 181 181 LYS CG C 22.101 0.400 1 1672 181 181 LYS CE C 39.761 0.400 1 1673 181 181 LYS N N 127.311 0.400 1 stop_ save_