data_6075 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and side chain assignment of arsenate reductase from Bacillus Subtilis ; _BMRB_accession_number 6075 _BMRB_flat_file_name bmr6075.str _Entry_type original _Submission_date 2004-01-13 _Accession_date 2004-01-14 _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 Peng Kuan . . 2 Su Xiao-dong . . 3 Xia Bin . . 4 Jin Changwen . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 729 "13C chemical shifts" 526 "15N chemical shifts" 147 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-07-06 original author . stop_ _Original_release_date 2004-07-06 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: 1H, 13C and 15N resonance assignments of a Bacillus Subtilis arsenate reductase ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15213468 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Peng Kuan . . 2 Su Xiao-dong . . 3 Xia Bin . . 4 Jin Changwen . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 29 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 459 _Page_last 460 _Year 2004 _Details . save_ ################################## # Molecular system description # ################################## save_system_ArsC _Saveframe_category molecular_system _Mol_system_name 'arsenate reductase monomer' _Abbreviation_common ArsC _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ArsC monomer' $ArsC stop_ _System_molecular_weight . _System_physical_state reduced _System_oligomer_state momomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ArsC _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Arsenate reductase' _Abbreviation_common ArsC _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 139 _Mol_residue_sequence ; MENKIIYFLCTGNSCRSQMA EGWAKQYLGDEWKVYSAGIE AHGLNPNAVKAMKEVGIDIS NQTSDIIDSDILNNADLVVT LCGDAADKCPMTPPHVKREH WGFDDPARAQGTEEEKWAFF QRVRDEIGNRLKEFAETGK ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLU 3 ASN 4 LYS 5 ILE 6 ILE 7 TYR 8 PHE 9 LEU 10 CYS 11 THR 12 GLY 13 ASN 14 SER 15 CYS 16 ARG 17 SER 18 GLN 19 MET 20 ALA 21 GLU 22 GLY 23 TRP 24 ALA 25 LYS 26 GLN 27 TYR 28 LEU 29 GLY 30 ASP 31 GLU 32 TRP 33 LYS 34 VAL 35 TYR 36 SER 37 ALA 38 GLY 39 ILE 40 GLU 41 ALA 42 HIS 43 GLY 44 LEU 45 ASN 46 PRO 47 ASN 48 ALA 49 VAL 50 LYS 51 ALA 52 MET 53 LYS 54 GLU 55 VAL 56 GLY 57 ILE 58 ASP 59 ILE 60 SER 61 ASN 62 GLN 63 THR 64 SER 65 ASP 66 ILE 67 ILE 68 ASP 69 SER 70 ASP 71 ILE 72 LEU 73 ASN 74 ASN 75 ALA 76 ASP 77 LEU 78 VAL 79 VAL 80 THR 81 LEU 82 CYS 83 GLY 84 ASP 85 ALA 86 ALA 87 ASP 88 LYS 89 CYS 90 PRO 91 MET 92 THR 93 PRO 94 PRO 95 HIS 96 VAL 97 LYS 98 ARG 99 GLU 100 HIS 101 TRP 102 GLY 103 PHE 104 ASP 105 ASP 106 PRO 107 ALA 108 ARG 109 ALA 110 GLN 111 GLY 112 THR 113 GLU 114 GLU 115 GLU 116 LYS 117 TRP 118 ALA 119 PHE 120 PHE 121 GLN 122 ARG 123 VAL 124 ARG 125 ASP 126 GLU 127 ILE 128 GLY 129 ASN 130 ARG 131 LEU 132 LYS 133 GLU 134 PHE 135 ALA 136 GLU 137 THR 138 GLY 139 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 15028 arsenate_reductase 100.00 139 97.84 97.84 1.81e-96 BMRB 6563 arsenate_reductase 100.00 139 100.00 100.00 2.97e-99 PDB 1JL3 "Crystal Structure Of B. Subtilis Arsc" 100.00 139 100.00 100.00 2.97e-99 PDB 1Z2D "Solution Structure Of Bacillus Subtilis Arsc In Reduced State" 100.00 139 100.00 100.00 2.97e-99 PDB 1Z2E "Solution Structure Of Bacillus Subtilis Arsc In Oxidized State" 100.00 139 100.00 100.00 2.97e-99 PDB 2IPA "Solution Structure Of Trx-Arsc Complex" 100.00 139 97.84 97.84 1.81e-96 DBJ BAA06970 "ORF109 [Bacillus subtilis]" 100.00 139 100.00 100.00 2.97e-99 DBJ BAA12434 "YqcM [Bacillus subtilis]" 100.00 139 100.00 100.00 2.97e-99 DBJ BAM58640 "arsenate reductase [Bacillus subtilis BEST7003]" 100.00 139 100.00 100.00 2.97e-99 EMBL CAB14519 "thioredoxin-coupled arsenate reductase [Bacillus subtilis subsp. subtilis str. 168]" 100.00 139 100.00 100.00 2.97e-99 EMBL CEI57801 "arsenate reductase ArsC [Bacillus subtilis]" 100.00 139 100.00 100.00 2.97e-99 EMBL CEJ78223 "arsenate reductase ArsC [Bacillus sp.]" 100.00 139 100.00 100.00 2.97e-99 GB ADV93326 "arsenate reductase [Bacillus subtilis BSn5]" 100.00 139 100.00 100.00 2.97e-99 GB AFH58698 "arsenate reductase, partial [uncultured Bacillus sp.]" 57.55 80 100.00 100.00 2.76e-51 GB AFH58699 "arsenate reductase, partial [uncultured Bacillus sp.]" 58.99 82 100.00 100.00 4.16e-53 GB AFH58701 "arsenate reductase, partial [uncultured Bacillus sp.]" 57.55 80 100.00 100.00 3.83e-51 GB AFH58702 "arsenate reductase, partial [uncultured Bacillus sp.]" 56.12 78 100.00 100.00 2.83e-49 REF NP_390455 "arsenate reductase ArsC [Bacillus subtilis subsp. subtilis str. 168]" 100.00 139 100.00 100.00 2.97e-99 REF WP_004398596 "arsenate reductase [Bacillus subtilis]" 100.00 139 100.00 100.00 2.97e-99 REF WP_015385204 "thioredoxin-coupled arsenate reductase [Bacillus subtilis]" 100.00 142 97.84 100.00 2.52e-97 REF WP_015483976 "arsenate reductase [Bacillus subtilis]" 100.00 139 97.84 100.00 2.40e-97 REF WP_029318100 "arsenate reductase [Bacillus subtilis]" 100.00 139 99.28 100.00 9.37e-99 SP P45947 "RecName: Full=Protein ArsC; AltName: Full=Arsenate reductase; AltName: Full=Arsenical pump modifier; AltName: Full=Low molecula" 100.00 139 100.00 100.00 2.97e-99 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $ArsC 'Bacillus subtilis' 1423 Eubacteria . Bacillus subtilis stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $ArsC 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $ArsC . mM 1 3 '[U-13C; U-15N]' 'Tris-HCl buffer' 20 mM . . . KCl 40 mM . . . Na2SO4 20 mM . . . DTT 20 mM . . . Urea 20 mM . . . H2O 95 % . . . D2O 5 % . . . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '15N HSQC' _Sample_label . save_ save_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HBHA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CO)NH _Sample_label . save_ save_1H-15N_TOCSYHSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TOCSYHSQC' _Sample_label . save_ save_1H-15N_NOESYHSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESYHSQC' _Sample_label . save_ save_HCCHCOSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCHCOSY _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TOCSYHSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESYHSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCHCOSY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.85 0.2 na temperature 298 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.00 internal indirect cylindrical internal parallel 1.0 DSS C 13 'methyl protons' ppm 0.00 external indirect . . . . DSS N 15 'methyl protons' ppm 0.00 external indirect . . . . 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '15N HSQC' HNCACB CBCA(CO)NH HBHA(CO)NH '1H-15N TOCSYHSQC' '1H-15N NOESYHSQC' HCCHCOSY stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'ArsC monomer' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 2 GLU HA H 4.37 0.02 1 2 . 2 GLU HB2 H 2.08 0.02 1 3 . 2 GLU HB3 H 1.94 0.02 1 4 . 2 GLU HG2 H 2.31 0.02 1 5 . 2 GLU HG3 H 2.31 0.02 1 6 . 2 GLU C C 175.45 0.25 1 7 . 2 GLU CA C 56.16 0.25 1 8 . 2 GLU CB C 30.14 0.25 1 9 . 2 GLU CG C 36.12 0.25 1 10 . 3 ASN H H 8.45 0.02 1 11 . 3 ASN HA H 4.92 0.02 1 12 . 3 ASN HB2 H 2.77 0.02 1 13 . 3 ASN HB3 H 2.6 0.02 1 14 . 3 ASN HD21 H 7.42 0.02 1 15 . 3 ASN HD22 H 6.95 0.02 1 16 . 3 ASN C C 174.59 0.2 1 17 . 3 ASN CA C 53.54 0.2 1 18 . 3 ASN CB C 40.29 0.2 1 19 . 3 ASN N N 119.93 0.2 1 20 . 3 ASN ND2 N 112.28 0.25 1 21 . 4 LYS H H 8.19 0.02 1 22 . 4 LYS HA H 4.51 0.02 1 23 . 4 LYS HB2 H 0.78 0.02 1 24 . 4 LYS HB3 H 0.35 0.02 1 25 . 4 LYS HG2 H 0.88 0.02 1 26 . 4 LYS HG3 H 0.88 0.02 1 27 . 4 LYS HD2 H 0.96 0.02 1 28 . 4 LYS HD3 H 0.96 0.02 1 29 . 4 LYS HE2 H 2.74 0.02 1 30 . 4 LYS HE3 H 2.74 0.02 1 31 . 4 LYS C C 175.22 0.2 1 32 . 4 LYS CA C 55.15 0.2 1 33 . 4 LYS CB C 34.27 0.2 1 34 . 4 LYS CG C 24.69 0.2 1 35 . 4 LYS CD C 28.71 0.2 1 36 . 4 LYS CE C 41.22 0.2 1 37 . 4 LYS N N 122.51 0.2 1 38 . 5 ILE H H 9.66 0.02 1 39 . 5 ILE HA H 5.34 0.02 1 40 . 5 ILE HB H 1.85 0.02 1 41 . 5 ILE HG12 H 1.18 0.02 1 42 . 5 ILE HG13 H 1.18 0.02 1 43 . 5 ILE HG2 H 0.93 0.02 1 44 . 5 ILE HD1 H 0.93 0.02 1 45 . 5 ILE C C 176.06 0.2 1 46 . 5 ILE CA C 61.06 0.2 1 47 . 5 ILE CB C 42.18 0.2 1 48 . 5 ILE CG1 C 28.48 0.2 1 49 . 5 ILE CG2 C 17.3 0.2 1 50 . 5 ILE CD1 C 13.59 0.2 1 51 . 5 ILE N N 123.22 0.2 1 52 . 6 ILE H H 9.16 0.2 1 53 . 6 ILE HA H 5.57 0.2 1 54 . 6 ILE HB H 1.94 0.2 1 55 . 6 ILE HG12 H 0.98 0.2 1 56 . 6 ILE HG13 H -0.09 0.2 1 57 . 6 ILE HG2 H 0.98 0.2 1 58 . 6 ILE HD1 H 0.05 0.2 1 59 . 6 ILE C C 171.16 0.2 1 60 . 6 ILE CA C 58.01 0.2 1 61 . 6 ILE CB C 40.46 0.2 1 62 . 6 ILE CG1 C 27.65 0.2 1 63 . 6 ILE CG2 C 16.61 0.2 1 64 . 6 ILE CD1 C 14.92 0.2 1 65 . 6 ILE N N 129.19 0.2 1 66 . 7 TYR H H 8.45 0.2 1 67 . 7 TYR HA H 5.62 0.2 1 68 . 7 TYR HB2 H 3.39 0.2 1 69 . 7 TYR HB3 H 2.35 0.2 1 70 . 7 TYR C C 174.29 0.2 1 71 . 7 TYR CA C 50.98 0.2 1 72 . 7 TYR CB C 41.33 0.2 1 73 . 7 TYR N N 129.82 0.2 1 74 . 8 PHE H H 9.07 0.02 1 75 . 8 PHE HA H 5.06 0.02 1 76 . 8 PHE HB2 H 2.93 0.02 1 77 . 8 PHE HB3 H 2.79 0.02 1 78 . 8 PHE C C 178.95 0.2 1 79 . 8 PHE CA C 58.32 0.2 1 80 . 8 PHE CB C 41.07 0.2 1 81 . 8 PHE N N 125.33 0.2 1 82 . 9 LEU H H 9.16 0.02 1 83 . 9 LEU HA H 5.65 0.02 1 84 . 9 LEU HB2 H 1.41 0.02 1 85 . 9 LEU HB3 H 1.14 0.02 1 86 . 9 LEU HG H 0.46 0.02 1 87 . 9 LEU HD1 H 1.16 0.02 1 88 . 9 LEU HD2 H 0.03 0.02 1 89 . 9 LEU C C 176.69 0.2 1 90 . 9 LEU CA C 52.19 0.2 1 91 . 9 LEU CB C 46.59 0.2 1 92 . 9 LEU CG C 25.93 0.2 1 93 . 9 LEU CD1 C 25.89 0.2 1 94 . 9 LEU CD2 C 23.34 0.2 1 95 . 9 LEU N N 121.94 0.2 1 96 . 10 CYS H H 8.55 0.02 1 97 . 10 CYS HA H 4.58 0.02 1 98 . 10 CYS HB2 H 4.42 0.02 1 99 . 10 CYS HB3 H 2.86 0.02 1 100 . 10 CYS C C 172.34 0.2 1 101 . 10 CYS CA C 57.17 0.2 1 102 . 10 CYS CB C 29.57 0.2 1 103 . 10 CYS N N 122.75 0.2 1 104 . 11 THR H H 8.58 0.02 1 105 . 11 THR HA H 4 0.02 1 106 . 11 THR HB H 4.27 0.02 1 107 . 11 THR HG2 H 1.44 0.02 1 108 . 11 THR C C 175.15 0.2 1 109 . 11 THR CA C 66.27 0.2 1 110 . 11 THR CB C 67.37 0.2 1 111 . 11 THR CG2 C 24.28 0.2 1 112 . 11 THR N N 116.36 0.2 1 113 . 12 GLY H H 8.21 0.02 1 114 . 12 GLY HA2 H 5.41 0.02 1 115 . 12 GLY HA3 H 3.84 0.02 1 116 . 12 GLY C C 173.29 0.2 1 117 . 12 GLY CA C 42.84 0.2 1 118 . 12 GLY N N 110.51 0.2 1 119 . 13 ASN H H 8.55 0.02 1 120 . 13 ASN HA H 5.51 0.02 1 121 . 13 ASN HB2 H 2.84 0.02 1 122 . 13 ASN HB3 H 2.84 0.02 1 123 . 13 ASN HD21 H 8.08 0.02 1 124 . 13 ASN HD22 H 7.49 0.02 1 125 . 13 ASN C C 177.38 0.2 1 126 . 13 ASN CA C 50.72 0.2 1 127 . 13 ASN CB C 40.78 0.2 1 128 . 13 ASN N N 116.12 0.2 1 129 . 13 ASN ND2 N 106.02 0.2 1 130 . 14 SER H H 9.19 0.02 1 131 . 14 SER HA H 5.29 0.02 1 132 . 14 SER HB2 H 4.23 0.02 1 133 . 14 SER HB3 H 3.94 0.02 1 134 . 14 SER C C 174.37 0.2 1 135 . 14 SER CA C 61.44 0.2 1 136 . 14 SER CB C 67.07 0.2 1 137 . 14 SER N N 120.43 0.2 1 138 . 15 CYS H H 9.48 0.02 1 139 . 15 CYS HA H 4.88 0.02 1 140 . 15 CYS HB2 H 3.39 0.02 1 141 . 15 CYS HB3 H 3.14 0.02 1 142 . 15 CYS C C 174.73 0.2 1 143 . 15 CYS CA C 59.78 0.2 1 144 . 15 CYS CB C 28.17 0.2 1 145 . 15 CYS N N 120.1 0.2 1 146 . 16 ARG H H 10.8 0.02 1 147 . 16 ARG HA H 3.68 0.02 1 148 . 16 ARG HB2 H 2.74 0.02 1 149 . 16 ARG HB3 H 1.78 0.02 1 150 . 16 ARG HG2 H 1.92 0.02 1 151 . 16 ARG HG3 H 1.59 0.02 1 152 . 16 ARG HD2 H 3.96 0.02 1 153 . 16 ARG HD3 H 3.96 0.02 1 154 . 16 ARG C C 178.08 0.2 1 155 . 16 ARG CA C 60.33 0.2 1 156 . 16 ARG CB C 31.21 0.2 1 157 . 16 ARG CG C 26.81 0.2 1 158 . 16 ARG N N 127.24 0.2 1 159 . 17 SER H H 9.85 0.02 1 160 . 17 SER HA H 3.8 0.02 1 161 . 17 SER HB2 H 3.71 0.02 1 162 . 17 SER HB3 H 3.71 0.02 1 163 . 17 SER C C 175.37 0.2 1 164 . 17 SER CA C 60.94 0.2 1 165 . 17 SER CB C 61.69 0.2 1 166 . 17 SER N N 113.7 0.2 1 167 . 18 GLN H H 6.07 0.02 1 168 . 18 GLN HA H 4.22 0.02 1 169 . 18 GLN HB2 H 1.99 0.02 1 170 . 18 GLN HB3 H 1.57 0.02 1 171 . 18 GLN HG2 H 2 0.02 1 172 . 18 GLN HG3 H 2 0.02 1 173 . 18 GLN HE21 H 6.87 0.02 1 174 . 18 GLN HE22 H 6.37 0.02 1 175 . 18 GLN C C 179.33 0.2 1 176 . 18 GLN CA C 57.69 0.2 1 177 . 18 GLN CB C 27.12 0.2 1 178 . 18 GLN CG C 30.41 0.2 1 179 . 18 GLN N N 119.84 0.2 1 180 . 18 GLN NE2 N 107.65 0.2 1 181 . 19 MET H H 8.39 0.02 1 182 . 19 MET HA H 3.91 0.02 1 183 . 19 MET HB2 H 2.11 0.02 1 184 . 19 MET HB3 H 2.11 0.02 1 185 . 19 MET HG2 H 2.39 0.02 1 186 . 19 MET HG3 H 2.39 0.02 1 187 . 19 MET C C 176.99 0.2 1 188 . 19 MET CA C 60.06 0.2 1 189 . 19 MET CB C 33.03 0.2 1 190 . 19 MET CG C 33.03 0.2 1 191 . 19 MET N N 119.38 0.2 1 192 . 20 ALA H H 8.59 0.02 1 193 . 20 ALA HA H 3.66 0.02 1 194 . 20 ALA HB H 0.56 0.02 1 195 . 20 ALA C C 177.27 0.2 1 196 . 20 ALA CA C 55.44 0.2 1 197 . 20 ALA CB C 16.81 0.2 1 198 . 20 ALA N N 120.82 0.2 1 199 . 21 GLU H H 7.46 0.02 1 200 . 21 GLU HA H 3.81 0.02 1 201 . 21 GLU HB2 H 2.08 0.02 1 202 . 21 GLU HB3 H 2.08 0.02 1 203 . 21 GLU HG2 H 2.16 0.02 1 204 . 21 GLU HG3 H 2.16 0.02 1 205 . 21 GLU C C 177.47 0.2 1 206 . 21 GLU CA C 58.96 0.2 1 207 . 21 GLU CB C 29.49 0.2 1 208 . 21 GLU CG C 34.52 0.2 1 209 . 21 GLU N N 117.76 0.2 1 210 . 22 GLY H H 7.87 0.02 1 211 . 22 GLY HA2 H 3.79 0.02 1 212 . 22 GLY HA3 H 3.27 0.02 1 213 . 22 GLY C C 176.1 0.2 1 214 . 22 GLY CA C 47.91 0.2 1 215 . 22 GLY N N 104.98 0.2 1 216 . 23 TRP H H 8.82 0.02 1 217 . 23 TRP HA H 4.57 0.02 1 218 . 23 TRP HB2 H 3.19 0.02 1 219 . 23 TRP HB3 H 3.19 0.02 1 220 . 23 TRP HE1 H 9.33 0.02 1 221 . 23 TRP C C 174.06 0.2 1 222 . 23 TRP CA C 59.78 0.2 1 223 . 23 TRP CB C 31.87 0.2 1 224 . 23 TRP N N 121.49 0.2 1 225 . 23 TRP NE1 N 125.96 0.2 1 226 . 24 ALA H H 9.16 0.02 1 227 . 24 ALA HA H 4.15 0.02 1 228 . 24 ALA HB H 1.83 0.02 1 229 . 24 ALA C C 178.85 0.2 1 230 . 24 ALA CA C 55.92 0.2 1 231 . 24 ALA CB C 19.99 0.2 1 232 . 24 ALA N N 121.94 0.2 1 233 . 25 LYS H H 8.03 0.02 1 234 . 25 LYS HA H 4.21 0.02 1 235 . 25 LYS HB2 H 2.01 0.02 1 236 . 25 LYS HB3 H 2.01 0.02 1 237 . 25 LYS HG2 H 1.64 0.02 1 238 . 25 LYS HG3 H 1.64 0.02 1 239 . 25 LYS HD2 H 1.82 0.02 1 240 . 25 LYS HD3 H 1.82 0.02 1 241 . 25 LYS HE2 H 3.11 0.02 1 242 . 25 LYS HE3 H 3.11 0.02 1 243 . 25 LYS C C 178.4 0.2 1 244 . 25 LYS CA C 59.65 0.2 1 245 . 25 LYS CB C 32.21 0.2 1 246 . 25 LYS CG C 26.85 0.2 1 247 . 25 LYS CD C 29.59 0.2 1 248 . 25 LYS CE C 41.95 0.2 1 249 . 25 LYS N N 116.48 0.2 1 250 . 26 GLN H H 7.32 0.02 1 251 . 26 GLN HA H 4.29 0.02 1 252 . 26 GLN HB2 H 2.09 0.02 1 253 . 26 GLN HB3 H 2.09 0.02 1 254 . 26 GLN HG2 H 2.62 0.02 1 255 . 26 GLN HG3 H 2.62 0.02 1 256 . 26 GLN HE21 H 7.2 0.02 1 257 . 26 GLN HE22 H 6.92 0.02 1 258 . 26 GLN C C 177.79 0.2 1 259 . 26 GLN CA C 57.64 0.2 1 260 . 26 GLN CB C 28.7 0.2 1 261 . 26 GLN CG C 32.82 0.2 1 262 . 26 GLN N N 117.29 0.2 1 263 . 26 GLN NE2 N 112.38 0.2 1 264 . 27 TYR H H 8.14 0.02 1 265 . 27 TYR HA H 4.85 0.02 1 266 . 27 TYR HB2 H 3.16 0.02 1 267 . 27 TYR HB3 H 2.67 0.02 1 268 . 27 TYR C C 177.49 0.2 1 269 . 27 TYR CA C 59.37 0.2 1 270 . 27 TYR CB C 40.25 0.2 1 271 . 27 TYR N N 115.51 0.2 1 272 . 28 LEU H H 8.88 0.02 1 273 . 28 LEU HA H 4.63 0.02 1 274 . 28 LEU HB2 H 2.06 0.02 1 275 . 28 LEU HB3 H 1.68 0.02 1 276 . 28 LEU HG H 1.85 0.02 1 277 . 28 LEU HD1 H 0.67 0.02 1 278 . 28 LEU HD2 H 0.52 0.02 1 279 . 28 LEU C C 178.31 0.2 1 280 . 28 LEU CA C 55.92 0.2 1 281 . 28 LEU CB C 40.78 0.2 1 282 . 28 LEU CG C 27.42 0.2 1 283 . 28 LEU CD1 C 25.24 0.2 1 284 . 28 LEU CD2 C 21.43 0.2 1 285 . 28 LEU N N 118.48 0.2 1 286 . 29 GLY H H 8.24 0.02 1 287 . 29 GLY HA2 H 4.3 0.02 1 288 . 29 GLY HA3 H 4.3 0.02 1 289 . 29 GLY C C 174.48 0.2 1 290 . 29 GLY CA C 45.53 0.2 1 291 . 29 GLY N N 107.5 0.2 1 292 . 30 ASP H H 8.45 0.02 1 293 . 30 ASP HA H 4.6 0.02 1 294 . 30 ASP HB2 H 2.83 0.02 1 295 . 30 ASP HB3 H 2.83 0.02 1 296 . 30 ASP C C 177.1 0.2 1 297 . 30 ASP CA C 55.89 0.2 1 298 . 30 ASP CB C 41.68 0.2 1 299 . 30 ASP N N 117.85 0.2 1 300 . 31 GLU H H 9.26 0.02 1 301 . 31 GLU HA H 4.35 0.02 1 302 . 31 GLU HB2 H 2.06 0.02 1 303 . 31 GLU HB3 H 2.06 0.02 1 304 . 31 GLU HG2 H 2.24 0.02 1 305 . 31 GLU HG3 H 2.24 0.02 1 306 . 31 GLU C C 175.87 0.2 1 307 . 31 GLU CA C 57.77 0.2 1 308 . 31 GLU CB C 29.79 0.2 1 309 . 31 GLU CG C 35.98 0.2 1 310 . 31 GLU N N 119.92 0.2 1 311 . 32 TRP H H 8.01 0.02 1 312 . 32 TRP HA H 5.14 0.02 1 313 . 32 TRP HB2 H 3.11 0.02 1 314 . 32 TRP HB3 H 2.99 0.02 1 315 . 32 TRP HE1 H 10.25 0.02 1 316 . 32 TRP C C 176.07 0.2 1 317 . 32 TRP CA C 56.21 0.2 1 318 . 32 TRP CB C 30.82 0.2 1 319 . 32 TRP N N 120.43 0.2 1 320 . 32 TRP NE1 N 129.26 0.2 1 321 . 33 LYS H H 9.64 0.02 1 322 . 33 LYS HA H 4.67 0.02 1 323 . 33 LYS HB2 H 1.85 0.02 1 324 . 33 LYS HB3 H 1.85 0.02 1 325 . 33 LYS HG2 H 1.44 0.02 1 326 . 33 LYS HG3 H 1.44 0.02 1 327 . 33 LYS HD2 H 1.74 0.02 1 328 . 33 LYS HD3 H 1.74 0.02 1 329 . 33 LYS HE2 H 2.97 0.02 1 330 . 33 LYS HE3 H 2.97 0.02 1 331 . 33 LYS C C 174.76 0.2 1 332 . 33 LYS CA C 54.75 0.2 1 333 . 33 LYS CB C 33.35 0.2 1 334 . 33 LYS CG C 24.71 0.2 1 335 . 33 LYS CD C 28.52 0.2 1 336 . 33 LYS CE C 42.17 0.2 1 337 . 33 LYS N N 125.11 0.2 1 338 . 34 VAL H H 8.31 0.02 1 339 . 34 VAL HA H 4.74 0.02 1 340 . 34 VAL HB H 1.99 0.02 1 341 . 34 VAL HG1 H 1.3 0.02 1 342 . 34 VAL HG2 H 0.97 0.02 1 343 . 34 VAL C C 174.81 0.2 1 344 . 34 VAL CA C 60.69 0.2 1 345 . 34 VAL CB C 33.06 0.2 1 346 . 34 VAL CG1 C 22.94 0.2 1 347 . 34 VAL CG2 C 20.3 0.2 1 348 . 34 VAL N N 124.5 0.2 1 349 . 35 TYR H H 8.78 0.02 1 350 . 35 TYR HA H 5.2 0.02 1 351 . 35 TYR HB2 H 3.26 0.02 1 352 . 35 TYR HB3 H 2.49 0.02 1 353 . 35 TYR C C 175.22 0.2 1 354 . 35 TYR CA C 55.91 0.2 1 355 . 35 TYR CB C 44.19 0.2 1 356 . 35 TYR N N 125.27 0.2 1 357 . 36 SER H H 9.49 0.02 1 358 . 36 SER HA H 6.05 0.02 1 359 . 36 SER HB2 H 4.14 0.02 1 360 . 36 SER HB3 H 3.83 0.02 1 361 . 36 SER C C 173.16 0.2 1 362 . 36 SER CA C 57.54 0.2 1 363 . 36 SER CB C 68.68 0.2 1 364 . 36 SER N N 116.49 0.2 1 365 . 37 ALA H H 9.05 0.02 1 366 . 37 ALA HA H 4.7 0.02 1 367 . 37 ALA HB H 1.22 0.02 1 368 . 37 ALA C C 174.23 0.2 1 369 . 37 ALA CA C 51.59 0.2 1 370 . 37 ALA CB C 23.7 0.2 1 371 . 37 ALA N N 123.1 0.2 1 372 . 38 GLY H H 8.44 0.02 1 373 . 38 GLY HA2 H 5.19 0.02 1 374 . 38 GLY HA3 H 3.3 0.02 1 375 . 38 GLY C C 174.27 0.2 1 376 . 38 GLY CA C 43.15 0.2 1 377 . 38 GLY N N 104.23 0.2 1 378 . 39 ILE H H 7.48 0.02 1 379 . 39 ILE HA H 3.84 0.02 1 380 . 39 ILE HB H 2.29 0.02 1 381 . 39 ILE HG12 H 1.7 0.02 1 382 . 39 ILE HG13 H 1.36 0.02 1 383 . 39 ILE HG2 H 1.07 0.02 1 384 . 39 ILE HD1 H 0.87 0.02 1 385 . 39 ILE C C 177.4 0.2 1 386 . 39 ILE CA C 64.15 0.2 1 387 . 39 ILE CB C 37.51 0.2 1 388 . 39 ILE CG1 C 28.68 0.2 1 389 . 39 ILE CG2 C 17.29 0.2 1 390 . 39 ILE CD1 C 12.6 0.2 1 391 . 39 ILE N N 120.26 0.2 1 392 . 40 GLU H H 7.95 0.02 1 393 . 40 GLU HA H 4.35 0.02 1 394 . 40 GLU HB2 H 1.83 0.02 1 395 . 40 GLU HB3 H 1.83 0.02 1 396 . 40 GLU HG2 H 2.36 0.02 1 397 . 40 GLU HG3 H 2.25 0.02 1 398 . 40 GLU C C 173.22 0.2 1 399 . 40 GLU CA C 53.96 0.2 1 400 . 40 GLU CB C 33.58 0.2 1 401 . 40 GLU CG C 36.32 0.2 1 402 . 40 GLU N N 115.52 0.2 1 403 . 41 ALA H H 8.01 0.02 1 404 . 41 ALA HA H 4.59 0.02 1 405 . 41 ALA HB H 1.09 0.02 1 406 . 41 ALA C C 177.45 0.2 1 407 . 41 ALA CA C 51.15 0.2 1 408 . 41 ALA CB C 19.52 0.2 1 409 . 41 ALA N N 120.44 0.2 1 410 . 42 HIS H H 9.12 0.02 1 411 . 42 HIS HA H 4.84 0.02 1 412 . 42 HIS HB2 H 3.55 0.02 1 413 . 42 HIS HB3 H 2.92 0.02 1 414 . 42 HIS C C 175.58 0.2 1 415 . 42 HIS CA C 55.24 0.2 1 416 . 42 HIS CB C 30.55 0.2 1 417 . 42 HIS N N 120.72 0.2 1 418 . 43 GLY H H 7.89 0.02 1 419 . 43 GLY HA2 H 4.75 0.02 1 420 . 43 GLY HA3 H 3.85 0.02 1 421 . 43 GLY C C 174.33 0.2 1 422 . 43 GLY CA C 44.04 0.2 1 423 . 43 GLY N N 108.02 0.2 1 424 . 44 LEU H H 9.1 0.02 1 425 . 44 LEU HA H 4.16 0.02 1 426 . 44 LEU HB2 H 1.61 0.02 1 427 . 44 LEU HB3 H 1.34 0.02 1 428 . 44 LEU HG H 1.49 0.02 1 429 . 44 LEU HD1 H 0.85 0.02 1 430 . 44 LEU HD2 H 0.74 0.02 1 431 . 44 LEU C C 176.76 0.2 1 432 . 44 LEU CA C 56.14 0.2 1 433 . 44 LEU CB C 42.56 0.2 1 434 . 44 LEU CG C 27.57 0.2 1 435 . 44 LEU CD1 C 24.64 0.2 1 436 . 44 LEU CD2 C 24.35 0.2 1 437 . 44 LEU N N 123.34 0.2 1 438 . 45 ASN H H 8.18 0.02 1 439 . 45 ASN HA H 5.17 0.02 1 440 . 45 ASN HB2 H 2.95 0.02 1 441 . 45 ASN HB3 H 2.86 0.02 1 442 . 45 ASN HD21 H 8.74 0.02 1 443 . 45 ASN HD22 H 7.89 0.02 1 444 . 45 ASN CA C 51.59 0.2 1 445 . 45 ASN CB C 41.37 0.2 1 446 . 45 ASN N N 126.64 0.2 1 447 . 45 ASN ND2 N 116.9 0.2 1 448 . 46 PRO HA H 4.33 0.02 1 449 . 46 PRO HB2 H 2.44 0.02 1 450 . 46 PRO HB3 H 2.02 0.02 1 451 . 46 PRO HG2 H 2.16 0.02 1 452 . 46 PRO HG3 H 2.1 0.02 1 453 . 46 PRO HD2 H 4.14 0.02 1 454 . 46 PRO HD3 H 3.92 0.02 1 455 . 46 PRO C C 179.6 0.2 1 456 . 46 PRO CA C 65.12 0.2 1 457 . 46 PRO CB C 31.86 0.2 1 458 . 46 PRO CG C 27.21 0.2 1 459 . 46 PRO CD C 51.16 0.2 1 460 . 47 ASN H H 8.64 0.02 1 461 . 47 ASN HA H 4.57 0.02 1 462 . 47 ASN HB2 H 2.14 0.02 1 463 . 47 ASN HB3 H 1.33 0.02 1 464 . 47 ASN HD21 H 7.28 0.02 1 465 . 47 ASN HD22 H 6.95 0.02 1 466 . 47 ASN C C 177.7 0.2 1 467 . 47 ASN CA C 55.62 0.2 1 468 . 47 ASN CB C 36.92 0.2 1 469 . 47 ASN N N 118.17 0.2 1 470 . 47 ASN ND2 N 114.21 0.2 1 471 . 48 ALA H H 7.95 0.02 1 472 . 48 ALA HA H 4.31 0.02 1 473 . 48 ALA HB H 1.87 0.02 1 474 . 48 ALA C C 178.97 0.2 1 475 . 48 ALA CA C 55.32 0.2 1 476 . 48 ALA CB C 18.51 0.2 1 477 . 48 ALA N N 124.43 0.2 1 478 . 49 VAL H H 7.65 0.02 1 479 . 49 VAL HA H 3.42 0.02 1 480 . 49 VAL HB H 2.27 0.02 1 481 . 49 VAL HG1 H 1.02 0.02 1 482 . 49 VAL HG2 H 0.97 0.02 1 483 . 49 VAL C C 179.75 0.2 1 484 . 49 VAL CA C 66.06 0.2 1 485 . 49 VAL CB C 31.57 0.2 1 486 . 49 VAL CG1 C 22.37 0.2 1 487 . 49 VAL CG2 C 21.47 0.2 1 488 . 49 VAL N N 118.62 0.2 1 489 . 50 LYS H H 8.21 0.02 1 490 . 50 LYS HA H 4.09 0.02 1 491 . 50 LYS HB2 H 1.99 0.02 1 492 . 50 LYS HB3 H 1.99 0.02 1 493 . 50 LYS HG2 H 1.55 0.02 1 494 . 50 LYS HG3 H 1.37 0.02 1 495 . 50 LYS HD2 H 1.19 0.02 1 496 . 50 LYS HD3 H 1.19 0.02 1 497 . 50 LYS HE2 H 3.41 0.02 1 498 . 50 LYS HE3 H 3.41 0.02 1 499 . 50 LYS C C 178.91 0.2 1 500 . 50 LYS CA C 60.07 0.2 1 501 . 50 LYS CB C 33.35 0.2 1 502 . 50 LYS CG C 25.12 0.2 1 503 . 50 LYS CD C 29.47 0.2 1 504 . 50 LYS CE C 41.23 0.2 1 505 . 50 LYS N N 122.57 0.2 1 506 . 51 ALA H H 8.77 0.02 1 507 . 51 ALA HA H 4.31 0.02 1 508 . 51 ALA HB H 1.48 0.02 1 509 . 51 ALA C C 180.75 0.2 1 510 . 51 ALA CA C 55.62 0.2 1 511 . 51 ALA CB C 17.32 0.2 1 512 . 51 ALA N N 122.21 0.2 1 513 . 52 MET H H 7.97 0.02 1 514 . 52 MET HA H 4.57 0.02 1 515 . 52 MET HB2 H 2.11 0.02 1 516 . 52 MET HB3 H 1.88 0.02 1 517 . 52 MET HG2 H 2.81 0.02 1 518 . 52 MET HG3 H 2.81 0.02 1 519 . 52 MET C C 178.53 0.2 1 520 . 52 MET CA C 55.35 0.2 1 521 . 52 MET CB C 28.91 0.2 1 522 . 52 MET CG C 32.68 0.2 1 523 . 52 MET N N 116.46 0.2 1 524 . 53 LYS H H 8.14 0.02 1 525 . 53 LYS HA H 3.92 0.02 1 526 . 53 LYS HB2 H 2.07 0.02 1 527 . 53 LYS HB3 H 2.02 0.02 1 528 . 53 LYS HG2 H 1.59 0.02 1 529 . 53 LYS HG3 H 1.49 0.02 1 530 . 53 LYS HD2 H 1.69 0.02 1 531 . 53 LYS HD3 H 1.69 0.02 1 532 . 53 LYS HE2 H 2.96 0.02 1 533 . 53 LYS HE3 H 2.96 0.02 1 534 . 53 LYS C C 180.45 0.2 1 535 . 53 LYS CA C 59.47 0.2 1 536 . 53 LYS CB C 32.16 0.2 1 537 . 53 LYS CG C 25.09 0.2 1 538 . 53 LYS CD C 28.9 0.2 1 539 . 53 LYS CE C 41.73 0.2 1 540 . 53 LYS N N 123.67 0.2 1 541 . 54 GLU H H 7.68 0.02 1 542 . 54 GLU HA H 4.25 0.02 1 543 . 54 GLU HB2 H 2.34 0.02 1 544 . 54 GLU HB3 H 2.34 0.02 1 545 . 54 GLU HG2 H 2.71 0.02 1 546 . 54 GLU HG3 H 2.51 0.02 1 547 . 54 GLU C C 178.01 0.2 1 548 . 54 GLU CA C 59.18 0.2 1 549 . 54 GLU CB C 30.38 0.2 1 550 . 54 GLU CG C 37.42 0.2 1 551 . 54 GLU N N 118.78 0.2 1 552 . 55 VAL H H 7.23 0.02 1 553 . 55 VAL HA H 4.77 0.02 1 554 . 55 VAL HB H 2.7 0.02 1 555 . 55 VAL HG1 H 1.07 0.02 1 556 . 55 VAL HG2 H 0.74 0.02 1 557 . 55 VAL C C 175.52 0.2 1 558 . 55 VAL CA C 60.08 0.2 1 559 . 55 VAL CB C 30.68 0.2 1 560 . 55 VAL CG1 C 21.17 0.2 1 561 . 55 VAL CG2 C 19.95 0.2 1 562 . 55 VAL N N 108.75 0.2 1 563 . 56 GLY H H 7.83 0.02 1 564 . 56 GLY HA2 H 4.15 0.02 1 565 . 56 GLY HA3 H 3.78 0.02 1 566 . 56 GLY C C 174.26 0.2 1 567 . 56 GLY CA C 45.82 0.2 1 568 . 56 GLY N N 108.76 0.2 1 569 . 57 ILE H H 7.79 0.02 1 570 . 57 ILE HA H 4.07 0.02 1 571 . 57 ILE HB H 0.99 0.02 1 572 . 57 ILE HG12 H 1.1 0.02 1 573 . 57 ILE HG13 H 0.58 0.02 1 574 . 57 ILE HG2 H 0.41 0.02 1 575 . 57 ILE HD1 H -0.03 0.02 1 576 . 57 ILE C C 173.74 0.2 1 577 . 57 ILE CA C 60.55 0.2 1 578 . 57 ILE CB C 40.18 0.2 1 579 . 57 ILE CG1 C 27.49 0.2 1 580 . 57 ILE CG2 C 16.56 0.2 1 581 . 57 ILE CD1 C 13.74 0.2 1 582 . 57 ILE N N 122.1 0.2 1 583 . 58 ASP H H 8.91 0.02 1 584 . 58 ASP HA H 4.67 0.02 1 585 . 58 ASP HB2 H 2.99 0.02 1 586 . 58 ASP HB3 H 2.57 0.02 1 587 . 58 ASP C C 177.07 0.2 1 588 . 58 ASP CA C 52.35 0.2 1 589 . 58 ASP CB C 40.77 0.2 1 590 . 58 ASP N N 128.2 0.2 1 591 . 59 ILE H H 8.52 0.02 1 592 . 59 ILE HA H 4.57 0.02 1 593 . 59 ILE HB H 2.34 0.02 1 594 . 59 ILE HG12 H 1.21 0.02 1 595 . 59 ILE HG13 H 1.09 0.02 1 596 . 59 ILE HG2 H 0.76 0.02 1 597 . 59 ILE HD1 H 0.62 0.02 1 598 . 59 ILE C C 176.55 0.2 1 599 . 59 ILE CA C 61.29 0.2 1 600 . 59 ILE CB C 37.95 0.2 1 601 . 59 ILE CG1 C 27.71 0.2 1 602 . 59 ILE CG2 C 18.21 0.2 1 603 . 59 ILE CD1 C 14.28 0.2 1 604 . 59 ILE N N 120.08 0.2 1 605 . 60 SER H H 8.59 0.02 1 606 . 60 SER HA H 3.89 0.02 1 607 . 60 SER HB2 H 3.99 0.02 1 608 . 60 SER HB3 H 3.99 0.02 1 609 . 60 SER C C 174.21 0.2 1 610 . 60 SER CA C 62.12 0.2 1 611 . 60 SER CB C 63.52 0.2 1 612 . 60 SER N N 117.36 0.2 1 613 . 61 ASN H H 8.33 0.02 1 614 . 61 ASN HA H 4.97 0.02 1 615 . 61 ASN HB2 H 2.89 0.02 1 616 . 61 ASN HB3 H 2.69 0.02 1 617 . 61 ASN HD21 H 7.52 0.02 1 618 . 61 ASN HD22 H 6.86 0.02 1 619 . 61 ASN C C 175.98 0.2 1 620 . 61 ASN CA C 52.63 0.2 1 621 . 61 ASN CB C 38.93 0.2 1 622 . 61 ASN N N 118.57 0.2 1 623 . 61 ASN ND2 N 114.16 0.2 1 624 . 62 GLN H H 7.63 0.02 1 625 . 62 GLN HA H 4.34 0.02 1 626 . 62 GLN HB2 H 2.17 0.02 1 627 . 62 GLN HB3 H 2.17 0.02 1 628 . 62 GLN HG2 H 2.44 0.02 1 629 . 62 GLN HG3 H 2.31 0.02 1 630 . 62 GLN HE21 H 8.45 0.02 1 631 . 62 GLN HE22 H 6.61 0.02 1 632 . 62 GLN C C 174.99 0.2 1 633 . 62 GLN CA C 56.77 0.2 1 634 . 62 GLN CB C 28.12 0.2 1 635 . 62 GLN CG C 36.93 0.2 1 636 . 62 GLN N N 122.45 0.2 1 637 . 62 GLN NE2 N 110.83 0.2 1 638 . 63 THR H H 8.76 0.02 1 639 . 63 THR HA H 4.39 0.02 1 640 . 63 THR HB H 4.44 0.02 1 641 . 63 THR HG2 H 1.26 0.02 1 642 . 63 THR C C 174.98 0.2 1 643 . 63 THR CA C 60.35 0.2 1 644 . 63 THR CB C 69.47 0.2 1 645 . 63 THR CG2 C 22.21 0.2 1 646 . 63 THR N N 111.21 0.2 1 647 . 64 SER H H 8.76 0.02 1 648 . 64 SER HA H 4.91 0.02 1 649 . 64 SER HB2 H 4.01 0.02 1 650 . 64 SER HB3 H 3.45 0.02 1 651 . 64 SER C C 173.42 0.2 1 652 . 64 SER CA C 56.35 0.2 1 653 . 64 SER CB C 64.54 0.2 1 654 . 64 SER N N 118.7 0.2 1 655 . 65 ASP H H 10.45 0.02 1 656 . 65 ASP HA H 5.15 0.02 1 657 . 65 ASP HB2 H 2.93 0.02 1 658 . 65 ASP HB3 H 2.78 0.02 1 659 . 65 ASP C C 175.11 0.2 1 660 . 65 ASP CA C 54.43 0.2 1 661 . 65 ASP CB C 46.72 0.2 1 662 . 65 ASP N N 131.54 0.2 1 663 . 66 ILE H H 7.99 0.02 1 664 . 66 ILE HA H 5.14 0.02 1 665 . 66 ILE HB H 2 0.02 1 666 . 66 ILE HG12 H 1.49 0.02 1 667 . 66 ILE HG13 H 1.23 0.02 1 668 . 66 ILE HG2 H 1.03 0.02 1 669 . 66 ILE HD1 H 0.99 0.02 1 670 . 66 ILE C C 177.35 0.2 1 671 . 66 ILE CA C 59.51 0.2 1 672 . 66 ILE CB C 39.58 0.2 1 673 . 66 ILE CG1 C 26.68 0.2 1 674 . 66 ILE CG2 C 18.85 0.2 1 675 . 66 ILE CD1 C 13.76 0.2 1 676 . 66 ILE N N 116.88 0.2 1 677 . 67 ILE H H 7.63 0.02 1 678 . 67 ILE HA H 3.42 0.02 1 679 . 67 ILE HB H 1.61 0.02 1 680 . 67 ILE HG12 H 1.52 0.02 1 681 . 67 ILE HG13 H 0.76 0.02 1 682 . 67 ILE HG2 H 0.8 0.02 1 683 . 67 ILE HD1 H 0.8 0.02 1 684 . 67 ILE C C 174.3 0.2 1 685 . 67 ILE CA C 63.96 0.2 1 686 . 67 ILE CB C 38.64 0.2 1 687 . 67 ILE CG1 C 28.74 0.2 1 688 . 67 ILE CG2 C 17.32 0.2 1 689 . 67 ILE CD1 C 14.37 0.2 1 690 . 67 ILE N N 123.57 0.2 1 691 . 68 ASP H H 8.19 0.02 1 692 . 68 ASP HA H 4.93 0.02 1 693 . 68 ASP HB2 H 2.87 0.02 1 694 . 68 ASP HB3 H 2.62 0.02 1 695 . 68 ASP C C 177.03 0.2 1 696 . 68 ASP CA C 52.35 0.2 1 697 . 68 ASP CB C 43.45 0.2 1 698 . 68 ASP N N 129.29 0.2 1 699 . 69 SER H H 9.17 0.02 1 700 . 69 SER HA H 4.04 0.02 1 701 . 69 SER HB2 H 3.94 0.02 1 702 . 69 SER HB3 H 3.94 0.02 1 703 . 69 SER C C 175.35 0.2 1 704 . 69 SER CA C 62.04 0.2 1 705 . 69 SER CB C 62.84 0.2 1 706 . 69 SER N N 123.5 0.2 1 707 . 70 ASP H H 8.46 0.02 1 708 . 70 ASP HA H 4.51 0.02 1 709 . 70 ASP HB2 H 2.79 0.02 1 710 . 70 ASP HB3 H 2.57 0.02 1 711 . 70 ASP C C 178.56 0.2 1 712 . 70 ASP CA C 57.48 0.2 1 713 . 70 ASP CB C 40.47 0.2 1 714 . 70 ASP N N 121.87 0.2 1 715 . 71 ILE H H 7.4 0.02 1 716 . 71 ILE HA H 3.45 0.02 1 717 . 71 ILE HB H 1.37 0.02 1 718 . 71 ILE HG12 H 1.19 0.02 1 719 . 71 ILE HG13 H 0.49 0.02 1 720 . 71 ILE HG2 H -0.37 0.02 1 721 . 71 ILE HD1 H 0.19 0.02 1 722 . 71 ILE C C 177.83 0.2 1 723 . 71 ILE CA C 64.59 0.2 1 724 . 71 ILE CB C 36.92 0.2 1 725 . 71 ILE CG1 C 27.75 0.2 1 726 . 71 ILE CG2 C 16.14 0.2 1 727 . 71 ILE CD1 C 11.39 0.2 1 728 . 71 ILE N N 120.99 0.2 1 729 . 72 LEU H H 7.94 0.02 1 730 . 72 LEU HA H 3.79 0.02 1 731 . 72 LEU HB2 H 1.85 0.02 1 732 . 72 LEU HB3 H 1.53 0.02 1 733 . 72 LEU HG H 0.86 0.02 1 734 . 72 LEU HD1 H 1.58 0.02 1 735 . 72 LEU HD2 H 1.58 0.02 1 736 . 72 LEU C C 176.71 0.2 1 737 . 72 LEU CA C 58.89 0.2 1 738 . 72 LEU CB C 43.45 0.2 1 739 . 72 LEU CG C 26.22 0.2 1 740 . 72 LEU CD1 C 25.74 0.2 1 741 . 72 LEU CD2 C 25.74 0.2 1 742 . 72 LEU N N 119.15 0.2 1 743 . 73 ASN H H 7.74 0.02 1 744 . 73 ASN HA H 4.45 0.02 1 745 . 73 ASN HB2 H 2.85 0.02 1 746 . 73 ASN HB3 H 2.85 0.02 1 747 . 73 ASN HD21 H 7.59 0.02 1 748 . 73 ASN HD22 H 6.82 0.02 1 749 . 73 ASN C C 176.06 0.2 1 750 . 73 ASN CA C 55.03 0.2 1 751 . 73 ASN CB C 38.99 0.2 1 752 . 73 ASN N N 109.77 0.2 1 753 . 73 ASN ND2 N 112.01 0.2 1 754 . 74 ASN H H 7.47 0.02 1 755 . 74 ASN HA H 4.96 0.02 1 756 . 74 ASN HB2 H 2.87 0.02 1 757 . 74 ASN HB3 H 2.54 0.02 1 758 . 74 ASN HD21 H 7.87 0.02 1 759 . 74 ASN HD22 H 6.95 0.02 1 760 . 74 ASN C C 173.58 0.2 1 761 . 74 ASN CA C 52.92 0.2 1 762 . 74 ASN CB C 40.72 0.2 1 763 . 74 ASN N N 116.5 0.2 1 764 . 74 ASN ND2 N 115.81 0.2 1 765 . 75 ALA H H 7.35 0.02 1 766 . 75 ALA HA H 4.07 0.02 1 767 . 75 ALA HB H 1.37 0.02 1 768 . 75 ALA C C 175.73 0.2 1 769 . 75 ALA CA C 52.94 0.2 1 770 . 75 ALA CB C 18.87 0.2 1 771 . 75 ALA N N 124.47 0.2 1 772 . 76 ASP H H 8.79 0.02 1 773 . 76 ASP HA H 4.87 0.02 1 774 . 76 ASP HB2 H 2.95 0.02 1 775 . 76 ASP HB3 H 2.79 0.02 1 776 . 76 ASP C C 177.14 0.2 1 777 . 76 ASP CA C 57.09 0.2 1 778 . 76 ASP CB C 42.53 0.2 1 779 . 76 ASP N N 120.42 0.2 1 780 . 77 LEU H H 7.98 0.02 1 781 . 77 LEU HA H 4.99 0.02 1 782 . 77 LEU HB2 H 1.61 0.02 1 783 . 77 LEU HB3 H 1.61 0.02 1 784 . 77 LEU HG H 1.15 0.02 1 785 . 77 LEU HD1 H 0.82 0.02 1 786 . 77 LEU HD2 H 0.61 0.02 1 787 . 77 LEU C C 173.66 0.2 1 788 . 77 LEU CA C 54.73 0.2 1 789 . 77 LEU CB C 45.83 0.2 1 790 . 77 LEU CG C 27.41 0.2 1 791 . 77 LEU CD1 C 26.81 0.2 1 792 . 77 LEU CD2 C 23.57 0.2 1 793 . 77 LEU N N 121.17 0.2 1 794 . 78 VAL H H 8.85 0.02 1 795 . 78 VAL HA H 4.86 0.02 1 796 . 78 VAL HB H 1.81 0.02 1 797 . 78 VAL HG1 H 1.01 0.02 1 798 . 78 VAL HG2 H 0.82 0.02 1 799 . 78 VAL C C 173.9 0.2 1 800 . 78 VAL CA C 60.33 0.2 1 801 . 78 VAL CB C 33.94 0.2 1 802 . 78 VAL CG1 C 23.26 0.2 1 803 . 78 VAL CG2 C 21.18 0.2 1 804 . 78 VAL N N 127.09 0.2 1 805 . 79 VAL H H 8.45 0.02 1 806 . 79 VAL HA H 4.71 0.02 1 807 . 79 VAL HB H 1.36 0.02 1 808 . 79 VAL HG1 H -0.26 0.02 1 809 . 79 VAL HG2 H -0.28 0.02 1 810 . 79 VAL C C 176.6 0.2 1 811 . 79 VAL CA C 59.49 0.2 1 812 . 79 VAL CB C 33.67 0.2 1 813 . 79 VAL CG1 C 19.24 0.2 1 814 . 79 VAL CG2 C 19.24 0.2 1 815 . 79 VAL N N 128.35 0.2 1 816 . 80 THR H H 8.73 0.02 1 817 . 80 THR HA H 5.34 0.02 1 818 . 80 THR HB H 4.47 0.02 1 819 . 80 THR HG2 H 1.14 0.02 1 820 . 80 THR C C 176.78 0.2 1 821 . 80 THR CA C 60.05 0.2 1 822 . 80 THR CB C 69.87 0.2 1 823 . 80 THR CG2 C 22.37 0.2 1 824 . 80 THR N N 116.81 0.2 1 825 . 81 LEU H H 7.8 0.02 1 826 . 81 LEU HA H 5.57 0.02 1 827 . 81 LEU HB2 H 2.27 0.02 1 828 . 81 LEU HB3 H 2.27 0.02 1 829 . 81 LEU HG H 1.94 0.02 1 830 . 81 LEU HD1 H 1.39 0.02 1 831 . 81 LEU HD2 H 0.85 0.02 1 832 . 81 LEU C C 176.65 0.2 1 833 . 81 LEU CA C 55.09 0.2 1 834 . 81 LEU CB C 44.89 0.2 1 835 . 81 LEU CG C 27.63 0.2 1 836 . 81 LEU CD1 C 27.63 0.2 1 837 . 81 LEU CD2 C 24.07 0.2 1 838 . 81 LEU N N 118.79 0.2 1 839 . 82 CYS H H 7.82 0.02 1 840 . 82 CYS HA H 4.96 0.02 1 841 . 82 CYS HB2 H 3.69 0.02 1 842 . 82 CYS HB3 H 3.5 0.02 1 843 . 82 CYS CA C 56.58 0.2 1 844 . 82 CYS CB C 30.37 0.2 1 845 . 82 CYS N N 111.35 0.2 1 846 . 85 ALA H H 8.14 0.02 1 847 . 85 ALA HA H 4.14 0.02 1 848 . 85 ALA HB H 1.55 0.02 1 849 . 85 ALA C C 178.26 0.2 1 850 . 85 ALA CA C 54.78 0.2 1 851 . 85 ALA CB C 18.68 0.2 1 852 . 85 ALA N N 124.2 0.2 1 853 . 86 ALA H H 8.37 0.02 1 854 . 86 ALA HA H 4.15 0.02 1 855 . 86 ALA HB H 1.41 0.02 1 856 . 86 ALA C C 179.29 0.2 1 857 . 86 ALA CA C 54.43 0.2 1 858 . 86 ALA CB C 18.21 0.2 1 859 . 86 ALA N N 120.34 0.2 1 860 . 87 ASP H H 8 0.02 1 861 . 87 ASP HA H 4.49 0.02 1 862 . 87 ASP HB2 H 2.86 0.02 1 863 . 87 ASP HB3 H 2.73 0.02 1 864 . 87 ASP C C 177.33 0.2 1 865 . 87 ASP CA C 56.21 0.2 1 866 . 87 ASP CB C 41.31 0.2 1 867 . 87 ASP N N 117.71 0.2 1 868 . 88 LYS H H 7.53 0.02 1 869 . 88 LYS HA H 4.41 0.02 1 870 . 88 LYS HB2 H 1.99 0.02 1 871 . 88 LYS HB3 H 1.66 0.02 1 872 . 88 LYS HG2 H 1.59 0.02 1 873 . 88 LYS HG3 H 1.47 0.02 1 874 . 88 LYS HD2 H 1.98 0.02 1 875 . 88 LYS HD3 H 1.98 0.02 1 876 . 88 LYS HE2 H 3.05 0.02 1 877 . 88 LYS HE3 H 3.05 0.02 1 878 . 88 LYS C C 175.5 0.2 1 879 . 88 LYS CA C 55.62 0.2 1 880 . 88 LYS CB C 33.94 0.2 1 881 . 88 LYS CG C 25.47 0.2 1 882 . 88 LYS CD C 28.94 0.2 1 883 . 88 LYS CE C 41.91 0.2 1 884 . 88 LYS N N 118.15 0.2 1 885 . 89 CYS H H 7.96 0.02 1 886 . 89 CYS HA H 4.61 0.02 1 887 . 89 CYS HB2 H 2.91 0.02 1 888 . 89 CYS HB3 H 2.78 0.02 1 889 . 89 CYS CA C 57.88 0.2 1 890 . 89 CYS CB C 27.12 0.2 1 891 . 89 CYS N N 123.38 0.2 1 892 . 90 PRO HA H 4.46 0.02 1 893 . 90 PRO HB2 H 2.32 0.02 1 894 . 90 PRO HB3 H 1.79 0.02 1 895 . 90 PRO C C 175.37 0.2 1 896 . 90 PRO CA C 63.04 0.2 1 897 . 90 PRO CB C 32.16 0.2 1 898 . 90 PRO CG C 27.02 0.2 1 899 . 90 PRO CD C 50.93 0.2 1 900 . 91 MET H H 8.43 0.02 1 901 . 91 MET HA H 4.4 0.02 1 902 . 91 MET HB2 H 2.04 0.02 1 903 . 91 MET HB3 H 2.04 0.02 1 904 . 91 MET HG2 H 2.68 0.02 1 905 . 91 MET HG3 H 2.63 0.02 1 906 . 91 MET C C 175.83 0.2 1 907 . 91 MET CA C 55.61 0.2 1 908 . 91 MET CB C 32.16 0.2 1 909 . 91 MET CG C 32.16 0.2 1 910 . 91 MET N N 121.35 0.2 1 911 . 92 THR H H 8.02 0.02 1 912 . 92 THR HA H 4.73 0.02 1 913 . 92 THR HB H 4.13 0.02 1 914 . 92 THR HG2 H 1.07 0.02 1 915 . 92 THR CA C 58.06 0.2 1 916 . 92 THR CB C 68.98 0.2 1 917 . 92 THR CG2 C 22.96 0.2 1 918 . 92 THR N N 114.34 0.2 1 919 . 94 PRO HA H 4.36 0.02 1 920 . 94 PRO HB2 H 2.45 0.02 1 921 . 94 PRO HB3 H 2.1 0.02 1 922 . 94 PRO C C 176.72 0.2 1 923 . 94 PRO CA C 64.57 0.2 1 924 . 94 PRO CB C 31.69 0.2 1 925 . 94 PRO CG C 27.25 0.2 1 926 . 94 PRO CD C 50.28 0.2 1 927 . 95 HIS H H 7.61 0.02 1 928 . 95 HIS HA H 4.64 0.02 1 929 . 95 HIS HB2 H 3.45 0.02 1 930 . 95 HIS HB3 H 3.01 0.02 1 931 . 95 HIS C C 175.03 0.2 1 932 . 95 HIS CA C 57.11 0.2 1 933 . 95 HIS CB C 29.79 0.2 1 934 . 95 HIS N N 112.12 0.2 1 935 . 96 VAL H H 7.19 0.02 1 936 . 96 VAL HA H 3.91 0.02 1 937 . 96 VAL HB H 1.85 0.02 1 938 . 96 VAL HG1 H 0.86 0.02 1 939 . 96 VAL HG2 H 0.71 0.02 1 940 . 96 VAL C C 175.92 0.2 1 941 . 96 VAL CA C 62.44 0.2 1 942 . 96 VAL CB C 32.71 0.2 1 943 . 96 VAL CG1 C 20.84 0.2 1 944 . 96 VAL CG2 C 20.84 0.2 1 945 . 96 VAL N N 123.75 0.2 1 946 . 97 LYS H H 8.2 0.02 1 947 . 97 LYS HA H 4.28 0.02 1 948 . 97 LYS HB2 H 2.08 0.02 1 949 . 97 LYS HB3 H 2.08 0.02 1 950 . 97 LYS HG2 H 1.52 0.02 1 951 . 97 LYS HG3 H 1.52 0.02 1 952 . 97 LYS HD2 H 1.92 0.02 1 953 . 97 LYS HD3 H 1.92 0.02 1 954 . 97 LYS HE2 H 3.2 0.02 1 955 . 97 LYS HE3 H 3.2 0.02 1 956 . 97 LYS C C 174.47 0.2 1 957 . 97 LYS CA C 57.1 0.2 1 958 . 97 LYS CB C 32.46 0.2 1 959 . 97 LYS CG C 25.63 0.2 1 960 . 97 LYS CD C 29.19 0.2 1 961 . 97 LYS CE C 42.08 0.2 1 962 . 97 LYS N N 131.28 0.2 1 963 . 98 ARG H H 8.42 0.02 1 964 . 98 ARG HA H 5.43 0.02 1 965 . 98 ARG HB2 H 1.66 0.02 1 966 . 98 ARG HB3 H 1.66 0.02 1 967 . 98 ARG HG2 H 1.38 0.02 1 968 . 98 ARG HG3 H 1.38 0.02 1 969 . 98 ARG HD2 H 3.1 0.02 1 970 . 98 ARG HD3 H 3.1 0.02 1 971 . 98 ARG C C 175.96 0.2 1 972 . 98 ARG CA C 53.84 0.2 1 973 . 98 ARG CB C 33.05 0.2 1 974 . 98 ARG CG C 27.12 0.2 1 975 . 98 ARG CD C 43.04 0.2 1 976 . 98 ARG N N 125.06 0.2 1 977 . 99 GLU H H 8.65 0.02 1 978 . 99 GLU HA H 4.59 0.02 1 979 . 99 GLU HB2 H 1.83 0.02 1 980 . 99 GLU HB3 H 1.22 0.02 1 981 . 99 GLU HG2 H 2.16 0.02 1 982 . 99 GLU HG3 H 2.16 0.02 1 983 . 99 GLU C C 173.97 0.2 1 984 . 99 GLU CA C 54.42 0.2 1 985 . 99 GLU CB C 33.94 0.2 1 986 . 99 GLU CG C 35.89 0.2 1 987 . 99 GLU N N 124.42 0.2 1 988 . 100 HIS H H 8.88 0.02 1 989 . 100 HIS HA H 5.21 0.02 1 990 . 100 HIS HB2 H 3.11 0.02 1 991 . 100 HIS HB3 H 2.83 0.02 1 992 . 100 HIS C C 174 0.2 1 993 . 100 HIS CA C 55.14 0.2 1 994 . 100 HIS CB C 31.87 0.2 1 995 . 100 HIS N N 122.11 0.2 1 996 . 101 TRP H H 8.4 0.02 1 997 . 101 TRP HA H 5.02 0.02 1 998 . 101 TRP HB2 H 3.42 0.02 1 999 . 101 TRP HB3 H 3.04 0.02 1 1000 . 101 TRP HE1 H 10.43 0.02 1 1001 . 101 TRP C C 173.03 0.2 1 1002 . 101 TRP CA C 52.07 0.2 1 1003 . 101 TRP CB C 30.72 0.2 1 1004 . 101 TRP N N 130.58 0.2 1 1005 . 101 TRP NE1 N 129.9 0.2 1 1006 . 102 GLY H H 7.71 0.02 1 1007 . 102 GLY HA2 H 3.72 0.02 1 1008 . 102 GLY HA3 H 3.25 0.02 1 1009 . 102 GLY C C 172.93 0.2 1 1010 . 102 GLY CA C 46.42 0.2 1 1011 . 102 GLY N N 105.97 0.2 1 1012 . 103 PHE H H 7.91 0.02 1 1013 . 103 PHE HA H 4.98 0.02 1 1014 . 103 PHE HB2 H 3.36 0.02 1 1015 . 103 PHE HB3 H 2.56 0.02 1 1016 . 103 PHE C C 175.74 0.2 1 1017 . 103 PHE CA C 57.41 0.2 1 1018 . 103 PHE CB C 43.75 0.2 1 1019 . 103 PHE N N 121.03 0.2 1 1020 . 104 ASP H H 9.48 0.02 1 1021 . 104 ASP HA H 4.55 0.02 1 1022 . 104 ASP HB2 H 2.88 0.02 1 1023 . 104 ASP HB3 H 2.57 0.02 1 1024 . 104 ASP C C 174.47 0.2 1 1025 . 104 ASP CA C 54.79 0.2 1 1026 . 104 ASP CB C 43.28 0.2 1 1027 . 104 ASP N N 126.31 0.2 1 1028 . 105 ASP H H 8.84 0.02 1 1029 . 105 ASP HA H 4.61 0.02 1 1030 . 105 ASP HB2 H 2.68 0.02 1 1031 . 105 ASP HB3 H 2.68 0.02 1 1032 . 105 ASP CA C 51.13 0.2 1 1033 . 105 ASP CB C 41.96 0.2 1 1034 . 105 ASP N N 117.83 0.2 1 1035 . 106 PRO HA H 3.91 0.02 1 1036 . 106 PRO HB2 H 1.25 0.02 1 1037 . 106 PRO HB3 H 0.43 0.02 1 1038 . 106 PRO HG2 H 1.56 0.02 1 1039 . 106 PRO HG3 H 1.41 0.02 1 1040 . 106 PRO HD2 H 4.75 0.02 1 1041 . 106 PRO HD3 H 3.97 0.02 1 1042 . 106 PRO C C 176.68 0.2 1 1043 . 106 PRO CA C 63.67 0.2 1 1044 . 106 PRO CB C 30.38 0.2 1 1045 . 106 PRO CG C 27.46 0.2 1 1046 . 106 PRO CD C 49.43 0.2 1 1047 . 107 ALA H H 8.12 0.02 1 1048 . 107 ALA HA H 4.32 0.02 1 1049 . 107 ALA HB H 1.64 0.02 1 1050 . 107 ALA C C 178.54 0.2 1 1051 . 107 ALA CA C 53.83 0.2 1 1052 . 107 ALA CB C 18.81 0.2 1 1053 . 107 ALA N N 120.39 0.2 1 1054 . 108 ARG H H 7.07 0.02 1 1055 . 108 ARG HA H 4.41 0.02 1 1056 . 108 ARG HB2 H 2.14 0.02 1 1057 . 108 ARG HB3 H 1.69 0.02 1 1058 . 108 ARG HG2 H 1.62 0.02 1 1059 . 108 ARG HG3 H 1.62 0.02 1 1060 . 108 ARG HD2 H 3.28 0.02 1 1061 . 108 ARG HD3 H 3.28 0.02 1 1062 . 108 ARG C C 175.83 0.2 1 1063 . 108 ARG CA C 54.79 0.2 1 1064 . 108 ARG CB C 30.61 0.2 1 1065 . 108 ARG CG C 27.21 0.2 1 1066 . 108 ARG CD C 43.13 0.2 1 1067 . 108 ARG N N 115.75 0.2 1 1068 . 109 ALA H H 6.79 0.02 1 1069 . 109 ALA HA H 3.76 0.02 1 1070 . 109 ALA HB H 0.88 0.02 1 1071 . 109 ALA C C 176.76 0.2 1 1072 . 109 ALA CA C 52.96 0.2 1 1073 . 109 ALA CB C 18.62 0.2 1 1074 . 109 ALA N N 123.56 0.2 1 1075 . 110 GLN H H 8.42 0.02 1 1076 . 110 GLN HA H 4.62 0.02 1 1077 . 110 GLN HB2 H 2.23 0.02 1 1078 . 110 GLN HB3 H 1.94 0.02 1 1079 . 110 GLN HG2 H 2.43 0.02 1 1080 . 110 GLN HG3 H 2.43 0.02 1 1081 . 110 GLN HE21 H 7.47 0.02 1 1082 . 110 GLN HE22 H 6.92 0.02 1 1083 . 110 GLN C C 174.78 0.2 1 1084 . 110 GLN CA C 54.13 0.2 1 1085 . 110 GLN CB C 31.55 0.2 1 1086 . 110 GLN CG C 33.45 0.2 1 1087 . 110 GLN N N 120.92 0.2 1 1088 . 110 GLN NE2 N 113.89 0.2 1 1089 . 111 GLY H H 8.32 0.02 1 1090 . 111 GLY HA2 H 4.83 0.02 1 1091 . 111 GLY HA3 H 3.89 0.02 1 1092 . 111 GLY C C 174.55 0.2 1 1093 . 111 GLY CA C 44.04 0.2 1 1094 . 111 GLY N N 108.36 0.2 1 1095 . 112 THR H H 8.96 0.02 1 1096 . 112 THR HA H 4.49 0.02 1 1097 . 112 THR HB H 4.92 0.02 1 1098 . 112 THR HG2 H 1.46 0.02 1 1099 . 112 THR C C 175.57 0.2 1 1100 . 112 THR CA C 61.26 0.2 1 1101 . 112 THR CB C 71.05 0.2 1 1102 . 112 THR CG2 C 22.07 0.2 1 1103 . 112 THR N N 112.34 0.2 1 1104 . 113 GLU H H 9.19 0.02 1 1105 . 113 GLU HA H 4.05 0.02 1 1106 . 113 GLU HB2 H 2.14 0.02 1 1107 . 113 GLU HB3 H 2.14 0.02 1 1108 . 113 GLU HG2 H 2.48 0.02 1 1109 . 113 GLU HG3 H 2.48 0.02 1 1110 . 113 GLU C C 179.77 0.2 1 1111 . 113 GLU CA C 60.37 0.2 1 1112 . 113 GLU CB C 28.85 0.2 1 1113 . 113 GLU CG C 36.36 0.2 1 1114 . 113 GLU N N 120.77 0.2 1 1115 . 114 GLU H H 8.95 0.02 1 1116 . 114 GLU HA H 4.3 0.02 1 1117 . 114 GLU HB2 H 2.21 0.02 1 1118 . 114 GLU HB3 H 2.12 0.02 1 1119 . 114 GLU HG2 H 2.58 0.02 1 1120 . 114 GLU HG3 H 2.43 0.02 1 1121 . 114 GLU C C 179.96 0.2 1 1122 . 114 GLU CA C 60.64 0.2 1 1123 . 114 GLU CB C 29.19 0.2 1 1124 . 114 GLU CG C 37.21 0.2 1 1125 . 114 GLU N N 119.59 0.2 1 1126 . 115 GLU H H 7.96 0.02 1 1127 . 115 GLU HA H 4.19 0.02 1 1128 . 115 GLU HB2 H 2.51 0.02 1 1129 . 115 GLU HB3 H 2.18 0.02 1 1130 . 115 GLU HG2 H 2.45 0.02 1 1131 . 115 GLU HG3 H 2.45 0.02 1 1132 . 115 GLU C C 180.66 0.2 1 1133 . 115 GLU CA C 59.48 0.2 1 1134 . 115 GLU CB C 29.76 0.2 1 1135 . 115 GLU CG C 37.77 0.2 1 1136 . 115 GLU N N 123.38 0.2 1 1137 . 116 LYS H H 8.86 0.02 1 1138 . 116 LYS HA H 3.99 0.02 1 1139 . 116 LYS HB2 H 2.06 0.02 1 1140 . 116 LYS HB3 H 1.98 0.02 1 1141 . 116 LYS HG2 H 1.72 0.02 1 1142 . 116 LYS HG3 H 1.48 0.02 1 1143 . 116 LYS HD2 H 1.04 0.02 1 1144 . 116 LYS HD3 H 1.04 0.02 1 1145 . 116 LYS HE2 H 3.1 0.02 1 1146 . 116 LYS HE3 H 2.99 0.02 1 1147 . 116 LYS C C 179.1 0.2 1 1148 . 116 LYS CA C 60.63 0.2 1 1149 . 116 LYS CB C 32.36 0.2 1 1150 . 116 LYS CG C 25.48 0.2 1 1151 . 116 LYS CD C 30.08 0.2 1 1152 . 116 LYS CE C 41.37 0.2 1 1153 . 116 LYS N N 122.03 0.2 1 1154 . 117 TRP H H 8.43 0.02 1 1155 . 117 TRP HA H 5.04 0.02 1 1156 . 117 TRP HB2 H 3.58 0.02 1 1157 . 117 TRP HB3 H 3.4 0.02 1 1158 . 117 TRP HE1 H 10.24 0.02 1 1159 . 117 TRP C C 177.6 0.2 1 1160 . 117 TRP CA C 59.18 0.2 1 1161 . 117 TRP CB C 30.08 0.2 1 1162 . 117 TRP N N 121.34 0.2 1 1163 . 117 TRP NE1 N 130.35 0.2 1 1164 . 118 ALA H H 8.05 0.02 1 1165 . 118 ALA HA H 4.41 0.02 1 1166 . 118 ALA HB H 1.6 0.02 1 1167 . 118 ALA C C 180.49 0.2 1 1168 . 118 ALA CA C 54.48 0.2 1 1169 . 118 ALA CB C 17.62 0.2 1 1170 . 118 ALA N N 120.48 0.2 1 1171 . 119 PHE H H 7.96 0.02 1 1172 . 119 PHE HA H 4.33 0.02 1 1173 . 119 PHE HB2 H 3.57 0.02 1 1174 . 119 PHE HB3 H 3.23 0.02 1 1175 . 119 PHE C C 178.88 0.2 1 1176 . 119 PHE CA C 60.39 0.2 1 1177 . 119 PHE CB C 39.53 0.2 1 1178 . 119 PHE N N 122.57 0.2 1 1179 . 120 PHE H H 8.19 0.02 1 1180 . 120 PHE HA H 3.66 0.02 1 1181 . 120 PHE HB2 H 3.3 0.02 1 1182 . 120 PHE HB3 H 2.4 0.02 1 1183 . 120 PHE C C 178.57 0.2 1 1184 . 120 PHE CA C 64.23 0.2 1 1185 . 120 PHE CB C 40.18 0.2 1 1186 . 120 PHE N N 119.63 0.2 1 1187 . 121 GLN H H 7.94 0.02 1 1188 . 121 GLN HA H 3.31 0.02 1 1189 . 121 GLN HB2 H 2.11 0.02 1 1190 . 121 GLN HB3 H 1.83 0.02 1 1191 . 121 GLN HG2 H 1.41 0.02 1 1192 . 121 GLN HG3 H 1.27 0.02 1 1193 . 121 GLN HE21 H 8.98 0.02 1 1194 . 121 GLN HE22 H 6.72 0.02 1 1195 . 121 GLN C C 176.66 0.2 1 1196 . 121 GLN CA C 59.86 0.2 1 1197 . 121 GLN CB C 30.08 0.2 1 1198 . 121 GLN CG C 34.18 0.2 1 1199 . 121 GLN N N 116.19 0.2 1 1200 . 121 GLN NE2 N 117.11 0.2 1 1201 . 122 ARG H H 8.12 0.02 1 1202 . 122 ARG HA H 4.03 0.02 1 1203 . 122 ARG HB2 H 1.9 0.02 1 1204 . 122 ARG HB3 H 1.9 0.02 1 1205 . 122 ARG HG2 H 1.64 0.02 1 1206 . 122 ARG HG3 H 1.4 0.02 1 1207 . 122 ARG HD2 H 2.99 0.02 1 1208 . 122 ARG HD3 H 2.99 0.02 1 1209 . 122 ARG C C 179.09 0.2 1 1210 . 122 ARG CA C 59.78 0.2 1 1211 . 122 ARG CB C 29.72 0.2 1 1212 . 122 ARG CG C 26.89 0.2 1 1213 . 122 ARG CD C 43.21 0.2 1 1214 . 122 ARG N N 119.33 0.2 1 1215 . 123 VAL H H 8.2 0.02 1 1216 . 123 VAL HA H 3.76 0.02 1 1217 . 123 VAL HB H 1.87 0.02 1 1218 . 123 VAL HG1 H 1.06 0.02 1 1219 . 123 VAL HG2 H 1.06 0.02 1 1220 . 123 VAL C C 177.59 0.2 1 1221 . 123 VAL CA C 67.19 0.2 1 1222 . 123 VAL CB C 32.16 0.2 1 1223 . 123 VAL CG1 C 23.85 0.2 1 1224 . 123 VAL CG2 C 21.77 0.2 1 1225 . 123 VAL N N 119.88 0.2 1 1226 . 124 ARG H H 8.24 0.02 1 1227 . 124 ARG HA H 4.1 0.02 1 1228 . 124 ARG HB2 H 2.53 0.02 1 1229 . 124 ARG HB3 H 1.91 0.02 1 1230 . 124 ARG HG2 H 1.69 0.02 1 1231 . 124 ARG HG3 H 1.69 0.02 1 1232 . 124 ARG HD2 H 3.38 0.02 1 1233 . 124 ARG HD3 H 3.38 0.02 1 1234 . 124 ARG C C 179.76 0.2 1 1235 . 124 ARG CA C 60.08 0.2 1 1236 . 124 ARG CB C 30.08 0.2 1 1237 . 124 ARG CG C 26.31 0.2 1 1238 . 124 ARG CD C 44.31 0.2 1 1239 . 124 ARG N N 119.7 0.2 1 1240 . 125 ASP H H 9.4 0.02 1 1241 . 125 ASP HA H 4.59 0.02 1 1242 . 125 ASP HB2 H 2.91 0.02 1 1243 . 125 ASP HB3 H 2.68 0.02 1 1244 . 125 ASP C C 178.6 0.2 1 1245 . 125 ASP CA C 57.42 0.2 1 1246 . 125 ASP CB C 39.52 0.2 1 1247 . 125 ASP N N 122.4 0.2 1 1248 . 126 GLU H H 8.77 0.02 1 1249 . 126 GLU HA H 4.06 0.02 1 1250 . 126 GLU HB2 H 2.49 0.02 1 1251 . 126 GLU HB3 H 2.31 0.02 1 1252 . 126 GLU HG2 H 2.72 0.02 1 1253 . 126 GLU HG3 H 2.72 0.02 1 1254 . 126 GLU C C 180.61 0.2 1 1255 . 126 GLU CA C 59.76 0.2 1 1256 . 126 GLU CB C 30.38 0.2 1 1257 . 126 GLU CG C 36.64 0.2 1 1258 . 126 GLU N N 123.82 0.2 1 1259 . 127 ILE H H 8.29 0.02 1 1260 . 127 ILE HA H 3.1 0.02 1 1261 . 127 ILE HB H 1.59 0.02 1 1262 . 127 ILE HG12 H 1.16 0.02 1 1263 . 127 ILE HG13 H -0.85 0.02 1 1264 . 127 ILE HG2 H 0.64 0.02 1 1265 . 127 ILE HD1 H 0.65 0.02 1 1266 . 127 ILE C C 177.53 0.2 1 1267 . 127 ILE CA C 65.78 0.2 1 1268 . 127 ILE CB C 37.85 0.2 1 1269 . 127 ILE CG1 C 26.58 0.2 1 1270 . 127 ILE CG2 C 16.95 0.2 1 1271 . 127 ILE CD1 C 14.89 0.2 1 1272 . 127 ILE N N 122.1 0.2 1 1273 . 128 GLY H H 7.96 0.02 1 1274 . 128 GLY HA2 H 1.99 0.02 1 1275 . 128 GLY HA3 H 1.99 0.02 1 1276 . 128 GLY C C 175.22 0.2 1 1277 . 128 GLY CA C 46.12 0.2 1 1278 . 128 GLY N N 108.53 0.2 1 1279 . 129 ASN H H 8.18 0.02 1 1280 . 129 ASN HA H 4.18 0.02 1 1281 . 129 ASN HB2 H 2.74 0.02 1 1282 . 129 ASN HB3 H 2.66 0.02 1 1283 . 129 ASN HD21 H 7.55 0.02 1 1284 . 129 ASN HD22 H 6.92 0.02 1 1285 . 129 ASN C C 177.91 0.2 1 1286 . 129 ASN CA C 55.87 0.2 1 1287 . 129 ASN CB C 38.13 0.2 1 1288 . 129 ASN N N 119.11 0.2 1 1289 . 129 ASN ND2 N 113.37 0.2 1 1290 . 130 ARG H H 7.68 0.02 1 1291 . 130 ARG HA H 4.17 0.02 1 1292 . 130 ARG HB2 H 1.84 0.02 1 1293 . 130 ARG HB3 H 1.76 0.02 1 1294 . 130 ARG HG2 H 1.99 0.02 1 1295 . 130 ARG HG3 H 1.99 0.02 1 1296 . 130 ARG HD2 H 3.08 0.02 1 1297 . 130 ARG HD3 H 3.08 0.02 1 1298 . 130 ARG C C 178.92 0.2 1 1299 . 130 ARG CA C 56.48 0.2 1 1300 . 130 ARG CB C 29.17 0.2 1 1301 . 130 ARG CG C 25.75 0.2 1 1302 . 130 ARG CD C 41.69 0.2 1 1303 . 130 ARG N N 121.83 0.2 1 1304 . 131 LEU H H 8.14 0.02 1 1305 . 131 LEU HA H 4.21 0.02 1 1306 . 131 LEU HB2 H 2 0.02 1 1307 . 131 LEU HB3 H 1.53 0.02 1 1308 . 131 LEU HG H 1.25 0.02 1 1309 . 131 LEU HD1 H 0.76 0.02 1 1310 . 131 LEU HD2 H 0.09 0.02 1 1311 . 131 LEU C C 178.08 0.2 1 1312 . 131 LEU CA C 56.76 0.2 1 1313 . 131 LEU CB C 41.67 0.2 1 1314 . 131 LEU CG C 25.96 0.2 1 1315 . 131 LEU CD1 C 29.2 0.2 1 1316 . 131 LEU CD2 C 23.95 0.2 1 1317 . 131 LEU N N 122.71 0.2 1 1318 . 132 LYS H H 8.31 0.02 1 1319 . 132 LYS HA H 3.05 0.02 1 1320 . 132 LYS HB2 H 1.63 0.02 1 1321 . 132 LYS HB3 H 1.26 0.02 1 1322 . 132 LYS HG2 H 1.03 0.02 1 1323 . 132 LYS HG3 H 0.93 0.02 1 1324 . 132 LYS HD2 H 1.51 0.02 1 1325 . 132 LYS HD3 H 1.42 0.02 1 1326 . 132 LYS HE2 H 2.7 0.02 1 1327 . 132 LYS HE3 H 2.7 0.02 1 1328 . 132 LYS C C 178.43 0.2 1 1329 . 132 LYS CA C 59.77 0.2 1 1330 . 132 LYS CB C 31.87 0.2 1 1331 . 132 LYS CG C 24.74 0.2 1 1332 . 132 LYS CD C 29.65 0.2 1 1333 . 132 LYS CE C 41.95 0.2 1 1334 . 132 LYS N N 123.71 0.2 1 1335 . 133 GLU H H 7.51 0.02 1 1336 . 133 GLU HA H 4.1 0.02 1 1337 . 133 GLU HB2 H 2.08 0.02 1 1338 . 133 GLU HB3 H 2 0.02 1 1339 . 133 GLU HG2 H 2.29 0.02 1 1340 . 133 GLU HG3 H 2 0.02 1 1341 . 133 GLU C C 180.16 0.2 1 1342 . 133 GLU CA C 58.89 0.2 1 1343 . 133 GLU CB C 29.79 0.2 1 1344 . 133 GLU CG C 35.86 0.2 1 1345 . 133 GLU N N 118.66 0.2 1 1346 . 134 PHE H H 8.25 0.02 1 1347 . 134 PHE HA H 4.63 0.02 1 1348 . 134 PHE HB2 H 3.21 0.02 1 1349 . 134 PHE HB3 H 3.21 0.02 1 1350 . 134 PHE C C 178.47 0.2 1 1351 . 134 PHE CA C 61.03 0.2 1 1352 . 134 PHE CB C 39.83 0.2 1 1353 . 134 PHE N N 123.69 0.2 1 1354 . 135 ALA H H 8.89 0.02 1 1355 . 135 ALA HA H 3.82 0.02 1 1356 . 135 ALA HB H 1.51 0.02 1 1357 . 135 ALA C C 179.37 0.2 1 1358 . 135 ALA CA C 54.76 0.2 1 1359 . 135 ALA CB C 18.71 0.2 1 1360 . 135 ALA N N 123.59 0.2 1 1361 . 136 GLU H H 8.04 0.02 1 1362 . 136 GLU HA H 4.22 0.02 1 1363 . 136 GLU HB2 H 2.18 0.02 1 1364 . 136 GLU HB3 H 2.09 0.02 1 1365 . 136 GLU HG2 H 2.51 0.02 1 1366 . 136 GLU HG3 H 2.27 0.02 1 1367 . 136 GLU C C 178.52 0.2 1 1368 . 136 GLU CA C 58.59 0.2 1 1369 . 136 GLU CB C 30.63 0.2 1 1370 . 136 GLU CG C 36.63 0.2 1 1371 . 136 GLU N N 115.65 0.2 1 1372 . 137 THR H H 8.2 0.02 1 1373 . 137 THR HA H 4.59 0.02 1 1374 . 137 THR HB H 4.32 0.02 1 1375 . 137 THR HG2 H 1.34 0.02 1 1376 . 137 THR C C 176.06 0.2 1 1377 . 137 THR CA C 62.49 0.2 1 1378 . 137 THR CB C 71.98 0.2 1 1379 . 137 THR CG2 C 21.18 0.2 1 1380 . 137 THR N N 108.48 0.2 1 1381 . 138 GLY H H 8.46 0.02 1 1382 . 138 GLY HA2 H 4.02 0.02 1 1383 . 138 GLY HA3 H 3.5 0.02 1 1384 . 138 GLY C C 172.71 0.2 1 1385 . 138 GLY CA C 45.57 0.2 1 1386 . 138 GLY N N 113.44 0.2 1 1387 . 139 LYS H H 7.81 0.02 1 1388 . 139 LYS HA H 4.49 0.02 1 1389 . 139 LYS HB2 H 1.91 0.02 1 1390 . 139 LYS HB3 H 1.78 0.02 1 1391 . 139 LYS HG2 H 1.41 0.02 1 1392 . 139 LYS HG3 H 1.41 0.02 1 1393 . 139 LYS HD2 H 1.77 0.02 1 1394 . 139 LYS HD3 H 1.77 0.02 1 1395 . 139 LYS HE2 H 3.08 0.02 1 1396 . 139 LYS HE3 H 3.08 0.02 1 1397 . 139 LYS CA C 57.42 0.2 1 1398 . 139 LYS CB C 34.83 0.2 1 1399 . 139 LYS CG C 24.75 0.2 1 1400 . 139 LYS CD C 29.19 0.2 1 1401 . 139 LYS CE C 41.96 0.2 1 1402 . 139 LYS N N 125.44 0.2 1 stop_ save_