data_6563 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for oxidized ArsC ; _BMRB_accession_number 6563 _BMRB_flat_file_name bmr6563.str _Entry_type original _Submission_date 2005-03-18 _Accession_date 2005-03-21 _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 Jin Changwen . . 2 Li You . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 804 "13C chemical shifts" 534 "15N chemical shifts" 149 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-01-31 original author . stop_ _Original_release_date 2007-01-31 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structures and backbone dynamics of arsenate reductase from Bacillus subtilis: Reversible conformational switch associates with arsenate reduction.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16192272 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Guo Xianrong . . 2 Li You . . 3 Peng Kuan . . 4 Hu Yunfei . . 5 Li Congmin . . 6 Xia Bin . . 7 Jin Changwen . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 280 _Journal_issue 47 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 39601 _Page_last 39608 _Year 2005 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'arsenate reductase' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'arsenate reductase' $arsenate_reductase stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'free and disulfide bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_arsenate_reductase _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'arsenate reductase' _Molecular_mass . _Mol_thiol_state 'free and disulfide bound' _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 6075 ArsC 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 _Strain $arsenate_reductase 'Bacillus subtilis strain 168' 1423 Eubacteria . Bacillus subtilis 168 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 $arsenate_reductase '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 _Isotopic_labeling $arsenate_reductase 2 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_500MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AV _Field_strength 500MHz _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N-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_15N-TOCSY-HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-TOCSY-HSQC _Sample_label . save_ save_CC(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name CC(CO)NH _Sample_label . save_ save_HC(C)H-COSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name HC(C)H-COSY _Sample_label . save_ save_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HNCA_9 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HNHA_10 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_1H15N_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.85 0.1 pH temperature 298 0.1 K 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 C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'arsenate reductase' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 GLU HA H 4.376 0.03 1 2 2 2 GLU HB2 H 2.076 0.03 2 3 2 2 GLU HB3 H 1.942 0.03 2 4 2 2 GLU HG2 H 2.334 0.03 1 5 2 2 GLU HG3 H 2.334 0.03 1 6 2 2 GLU C C 175.618 0.30 1 7 2 2 GLU CA C 56.442 0.30 1 8 2 2 GLU CB C 30.376 0.30 1 9 2 2 GLU CG C 36.676 0.30 1 10 3 3 ASN H H 8.454 0.03 1 11 3 3 ASN HA H 4.858 0.03 1 12 3 3 ASN HB2 H 2.778 0.03 2 13 3 3 ASN HB3 H 2.610 0.03 2 14 3 3 ASN HD21 H 7.433 0.03 2 15 3 3 ASN HD22 H 6.972 0.03 2 16 3 3 ASN C C 174.672 0.30 1 17 3 3 ASN CA C 53.507 0.30 1 18 3 3 ASN CB C 40.591 0.30 1 19 3 3 ASN N N 119.943 0.20 1 20 3 3 ASN ND2 N 112.269 0.20 1 21 4 4 LYS H H 8.232 0.03 1 22 4 4 LYS HA H 4.552 0.03 1 23 4 4 LYS HB2 H 0.833 0.03 2 24 4 4 LYS HB3 H 0.399 0.03 2 25 4 4 LYS HD2 H 0.810 0.03 2 26 4 4 LYS HD3 H 1.078 0.03 2 27 4 4 LYS HE2 H 2.265 0.03 1 28 4 4 LYS HE3 H 2.265 0.03 1 29 4 4 LYS C C 175.325 0.30 1 30 4 4 LYS CA C 55.386 0.30 1 31 4 4 LYS CB C 34.838 0.30 1 32 4 4 LYS CG C 25.045 0.30 1 33 4 4 LYS CD C 29.300 0.30 1 34 4 4 LYS CE C 41.964 0.30 1 35 4 4 LYS N N 122.530 0.20 1 36 5 5 ILE H H 9.784 0.03 1 37 5 5 ILE HA H 5.296 0.03 1 38 5 5 ILE HB H 1.847 0.03 1 39 5 5 ILE HG12 H 1.190 0.03 1 40 5 5 ILE HG13 H 1.190 0.03 1 41 5 5 ILE HG2 H 0.906 0.03 1 42 5 5 ILE HD1 H 0.942 0.03 1 43 5 5 ILE C C 176.137 0.30 1 44 5 5 ILE CA C 61.374 0.30 1 45 5 5 ILE CB C 42.474 0.30 1 46 5 5 ILE CG1 C 29.200 0.30 1 47 5 5 ILE CG2 C 17.775 0.30 1 48 5 5 ILE CD1 C 14.416 0.30 1 49 5 5 ILE N N 123.520 0.20 1 50 6 6 ILE H H 9.165 0.03 1 51 6 6 ILE HA H 5.624 0.03 1 52 6 6 ILE HB H 1.947 0.03 1 53 6 6 ILE HG12 H -0.094 0.03 1 54 6 6 ILE HG13 H -0.094 0.03 1 55 6 6 ILE HG2 H 0.984 0.03 1 56 6 6 ILE HD1 H 0.034 0.03 1 57 6 6 ILE C C 171.409 0.30 1 58 6 6 ILE CA C 58.204 0.30 1 59 6 6 ILE CB C 40.709 0.30 1 60 6 6 ILE CG1 C 27.665 0.30 1 61 6 6 ILE CG2 C 17.106 0.30 1 62 6 6 ILE CD1 C 15.421 0.30 1 63 6 6 ILE N N 129.193 0.20 1 64 7 7 TYR H H 8.326 0.03 1 65 7 7 TYR HA H 5.627 0.03 1 66 7 7 TYR HB2 H 3.440 0.03 2 67 7 7 TYR HB3 H 2.371 0.03 2 68 7 7 TYR HD1 H 6.793 0.03 1 69 7 7 TYR HD2 H 6.793 0.03 1 70 7 7 TYR HE1 H 6.601 0.03 1 71 7 7 TYR HE2 H 6.601 0.03 1 72 7 7 TYR HH H 9.895 0.03 1 73 7 7 TYR C C 174.486 0.30 1 74 7 7 TYR CA C 50.924 0.30 1 75 7 7 TYR CB C 41.648 0.30 1 76 7 7 TYR N N 129.916 0.20 1 77 8 8 PHE H H 9.187 0.03 1 78 8 8 PHE HA H 5.101 0.03 1 79 8 8 PHE HB2 H 2.975 0.03 2 80 8 8 PHE HB3 H 2.814 0.03 2 81 8 8 PHE HD1 H 7.532 0.03 1 82 8 8 PHE HD2 H 7.532 0.03 1 83 8 8 PHE HE1 H 7.110 0.03 1 84 8 8 PHE HE2 H 7.110 0.03 1 85 8 8 PHE HZ H 6.610 0.03 1 86 8 8 PHE C C 179.114 0.30 1 87 8 8 PHE CA C 58.321 0.30 1 88 8 8 PHE CB C 40.826 0.30 1 89 8 8 PHE N N 125.639 0.20 1 90 9 9 LEU H H 9.157 0.03 1 91 9 9 LEU HA H 5.741 0.03 1 92 9 9 LEU HB2 H 1.452 0.03 2 93 9 9 LEU HB3 H 1.062 0.03 2 94 9 9 LEU HG H 0.354 0.03 1 95 9 9 LEU HD1 H -0.128 0.03 2 96 9 9 LEU HD2 H -0.128 0.03 2 97 9 9 LEU C C 176.832 0.30 1 98 9 9 LEU CA C 52.333 0.30 1 99 9 9 LEU CB C 47.284 0.30 1 100 9 9 LEU CG C 26.201 0.30 1 101 9 9 LEU CD1 C 23.287 0.30 2 102 9 9 LEU CD2 C 18.933 0.30 2 103 9 9 LEU N N 122.036 0.20 1 104 10 10 CYS H H 8.435 0.03 1 105 10 10 CYS HA H 4.702 0.03 1 106 10 10 CYS HB2 H 4.307 0.03 2 107 10 10 CYS HB3 H 2.914 0.03 2 108 10 10 CYS C C 173.072 0.30 1 109 10 10 CYS CA C 57.029 0.30 1 110 10 10 CYS CB C 30.024 0.30 1 111 10 10 CYS N N 121.704 0.20 1 112 11 11 THR H H 8.596 0.03 1 113 11 11 THR HA H 4.154 0.03 1 114 11 11 THR HB H 4.210 0.03 1 115 11 11 THR HG2 H 1.544 0.03 1 116 11 11 THR C C 175.319 0.30 1 117 11 11 THR CA C 66.658 0.30 1 118 11 11 THR CB C 69.710 0.30 1 119 11 11 THR CG2 C 24.016 0.30 1 120 11 11 THR N N 117.483 0.20 1 121 12 12 GLY H H 8.216 0.03 1 122 12 12 GLY HA2 H 5.365 0.03 2 123 12 12 GLY HA3 H 3.886 0.03 2 124 12 12 GLY C C 172.228 0.30 1 125 12 12 GLY CA C 43.335 0.30 1 126 12 12 GLY N N 109.704 0.20 1 127 13 13 ASN H H 8.493 0.03 1 128 13 13 ASN HA H 5.490 0.03 1 129 13 13 ASN HB2 H 2.844 0.03 2 130 13 13 ASN HB3 H 2.761 0.03 2 131 13 13 ASN HD21 H 8.152 0.03 2 132 13 13 ASN HD22 H 5.962 0.03 2 133 13 13 ASN C C 177.570 0.30 1 134 13 13 ASN CA C 51.080 0.30 1 135 13 13 ASN CB C 40.785 0.30 1 136 13 13 ASN N N 115.971 0.20 1 137 13 13 ASN ND2 N 106.243 0.20 1 138 14 14 SER H H 9.293 0.03 1 139 14 14 SER HA H 5.296 0.03 1 140 14 14 SER HB2 H 4.237 0.03 2 141 14 14 SER HB3 H 3.948 0.03 2 142 14 14 SER C C 174.404 0.30 1 143 14 14 SER CA C 61.760 0.30 1 144 14 14 SER CB C 67.592 0.30 1 145 14 14 SER N N 120.785 0.20 1 146 15 15 CYS H H 9.562 0.03 1 147 15 15 CYS HA H 4.894 0.03 1 148 15 15 CYS HB2 H 3.424 0.03 2 149 15 15 CYS HB3 H 3.137 0.03 2 150 15 15 CYS C C 174.910 0.30 1 151 15 15 CYS CA C 59.761 0.30 1 152 15 15 CYS CB C 28.447 0.30 1 153 15 15 CYS N N 120.533 0.20 1 154 16 16 ARG H H 10.867 0.03 1 155 16 16 ARG HA H 3.690 0.03 1 156 16 16 ARG HB2 H 2.704 0.03 2 157 16 16 ARG HB3 H 1.824 0.03 2 158 16 16 ARG HG2 H 1.830 0.03 2 159 16 16 ARG HG3 H 1.593 0.03 2 160 16 16 ARG HD2 H 3.141 0.03 1 161 16 16 ARG HD3 H 3.141 0.03 1 162 16 16 ARG HE H 8.514 0.03 1 163 16 16 ARG C C 178.145 0.30 1 164 16 16 ARG CA C 60.525 0.30 1 165 16 16 ARG CB C 31.570 0.30 1 166 16 16 ARG CG C 26.799 0.30 1 167 16 16 ARG CD C 36.491 0.30 1 168 16 16 ARG N N 127.654 0.20 1 169 17 17 SER H H 9.952 0.03 1 170 17 17 SER HA H 3.726 0.03 1 171 17 17 SER HB2 H 3.892 0.03 1 172 17 17 SER HB3 H 3.892 0.03 1 173 17 17 SER HG H 5.957 0.03 1 174 17 17 SER C C 175.547 0.30 1 175 17 17 SER CA C 61.818 0.30 9 176 17 17 SER CB C 61.095 0.30 9 177 17 17 SER N N 114.124 0.20 1 178 18 18 GLN H H 6.091 0.03 1 179 18 18 GLN HA H 4.233 0.03 1 180 18 18 GLN HB2 H 2.005 0.03 2 181 18 18 GLN HB3 H 1.582 0.03 2 182 18 18 GLN HG2 H 2.096 0.03 2 183 18 18 GLN HG3 H 1.832 0.03 2 184 18 18 GLN HE21 H 6.902 0.03 2 185 18 18 GLN HE22 H 6.336 0.03 2 186 18 18 GLN C C 179.445 0.30 1 187 18 18 GLN CA C 57.734 0.30 1 188 18 18 GLN CB C 27.323 0.30 1 189 18 18 GLN CG C 30.751 0.30 1 190 18 18 GLN N N 119.624 0.20 1 191 18 18 GLN NE2 N 107.816 0.20 1 192 19 19 MET H H 8.426 0.03 1 193 19 19 MET HA H 3.913 0.03 1 194 19 19 MET HB2 H 2.392 0.03 2 195 19 19 MET HB3 H 2.128 0.03 2 196 19 19 MET HG2 H 3.178 0.03 1 197 19 19 MET HG3 H 3.178 0.03 1 198 19 19 MET HE H 0.643 0.03 1 199 19 19 MET C C 177.153 0.30 1 200 19 19 MET CA C 60.491 0.30 1 201 19 19 MET CB C 33.555 0.30 9 202 19 19 MET CG C 33.555 0.30 9 203 19 19 MET CE C 15.301 0.30 1 204 19 19 MET N N 119.634 0.20 1 205 20 20 ALA H H 8.667 0.03 1 206 20 20 ALA HA H 3.679 0.03 1 207 20 20 ALA HB H 0.621 0.03 1 208 20 20 ALA C C 177.366 0.30 1 209 20 20 ALA CA C 55.718 0.30 1 210 20 20 ALA CB C 17.312 0.30 1 211 20 20 ALA N N 120.807 0.20 1 212 21 21 GLU H H 7.434 0.03 1 213 21 21 GLU HA H 3.807 0.03 1 214 21 21 GLU HB2 H 2.108 0.03 1 215 21 21 GLU HB3 H 2.108 0.03 1 216 21 21 GLU HG2 H 2.101 0.03 1 217 21 21 GLU HG3 H 2.101 0.03 1 218 21 21 GLU C C 177.538 0.30 1 219 21 21 GLU CA C 59.580 0.30 1 220 21 21 GLU CB C 29.330 0.30 1 221 21 21 GLU CG C 35.391 0.30 1 222 21 21 GLU N N 117.789 0.20 1 223 22 22 GLY H H 7.904 0.03 1 224 22 22 GLY HA2 H 3.813 0.03 2 225 22 22 GLY HA3 H 3.278 0.03 2 226 22 22 GLY C C 176.227 0.30 1 227 22 22 GLY CA C 48.200 0.30 1 228 22 22 GLY N N 105.036 0.20 1 229 23 23 TRP H H 8.820 0.03 1 230 23 23 TRP HA H 4.573 0.03 1 231 23 23 TRP HB2 H 3.204 0.03 1 232 23 23 TRP HB3 H 3.204 0.03 1 233 23 23 TRP HD1 H 6.622 0.03 1 234 23 23 TRP HE1 H 9.340 0.03 1 235 23 23 TRP HZ2 H 7.438 0.03 1 236 23 23 TRP HH2 H 7.674 0.03 1 237 23 23 TRP C C 174.303 0.30 1 238 23 23 TRP CA C 59.863 0.30 1 239 23 23 TRP CB C 31.943 0.30 1 240 23 23 TRP N N 121.572 0.20 1 241 23 23 TRP NE1 N 125.970 0.20 1 242 24 24 ALA H H 9.181 0.03 1 243 24 24 ALA HA H 4.151 0.03 1 244 24 24 ALA HB H 1.821 0.03 1 245 24 24 ALA C C 179.017 0.30 1 246 24 24 ALA CA C 55.917 0.30 1 247 24 24 ALA CB C 20.161 0.30 1 248 24 24 ALA N N 122.036 0.20 1 249 25 25 LYS H H 8.061 0.03 1 250 25 25 LYS HA H 4.219 0.03 1 251 25 25 LYS HB2 H 2.030 0.03 1 252 25 25 LYS HB3 H 2.030 0.03 1 253 25 25 LYS HG2 H 1.629 0.03 1 254 25 25 LYS HG3 H 1.629 0.03 1 255 25 25 LYS HD2 H 1.813 0.03 1 256 25 25 LYS HD3 H 1.813 0.03 1 257 25 25 LYS HE2 H 3.172 0.03 1 258 25 25 LYS HE3 H 3.172 0.03 1 259 25 25 LYS C C 178.392 0.30 1 260 25 25 LYS CA C 59.655 0.30 1 261 25 25 LYS CB C 32.638 0.30 1 262 25 25 LYS CG C 27.079 0.30 1 263 25 25 LYS CD C 30.029 0.30 1 264 25 25 LYS CE C 42.390 0.30 1 265 25 25 LYS N N 116.584 0.20 1 266 26 26 GLN H H 7.334 0.03 1 267 26 26 GLN HA H 4.317 0.03 1 268 26 26 GLN HB2 H 2.125 0.03 2 269 26 26 GLN HB3 H 2.039 0.03 2 270 26 26 GLN HG2 H 2.177 0.03 2 271 26 26 GLN HG3 H 2.118 0.03 2 272 26 26 GLN HE21 H 7.213 0.03 2 273 26 26 GLN HE22 H 6.911 0.03 2 274 26 26 GLN C C 177.779 0.30 1 275 26 26 GLN CA C 57.651 0.30 1 276 26 26 GLN CB C 28.908 0.30 1 277 26 26 GLN CG C 33.400 0.30 1 278 26 26 GLN N N 117.215 0.20 1 279 26 26 GLN NE2 N 112.397 0.20 1 280 27 27 TYR H H 8.124 0.03 1 281 27 27 TYR HA H 4.868 0.03 1 282 27 27 TYR HB2 H 3.186 0.03 2 283 27 27 TYR HB3 H 2.696 0.03 2 284 27 27 TYR HD1 H 7.214 0.03 1 285 27 27 TYR HD2 H 7.214 0.03 1 286 27 27 TYR HE1 H 6.839 0.03 1 287 27 27 TYR HE2 H 6.839 0.03 1 288 27 27 TYR C C 177.500 0.30 1 289 27 27 TYR CA C 59.581 0.30 1 290 27 27 TYR CB C 40.775 0.30 1 291 27 27 TYR N N 115.566 0.20 1 292 28 28 LEU H H 8.928 0.03 1 293 28 28 LEU HA H 4.668 0.03 1 294 28 28 LEU HB2 H 2.097 0.03 2 295 28 28 LEU HB3 H 1.735 0.03 2 296 28 28 LEU HG H 1.869 0.03 1 297 28 28 LEU HD1 H 0.715 0.03 2 298 28 28 LEU HD2 H 0.554 0.03 2 299 28 28 LEU C C 178.334 0.30 1 300 28 28 LEU CA C 55.456 0.30 1 301 28 28 LEU CB C 40.931 0.30 1 302 28 28 LEU CG C 27.501 0.30 1 303 28 28 LEU CD1 C 21.601 0.30 2 304 28 28 LEU CD2 C 25.534 0.30 2 305 28 28 LEU N N 118.595 0.20 1 306 29 29 GLY H H 8.352 0.03 1 307 29 29 GLY HA2 H 4.325 0.03 1 308 29 29 GLY HA3 H 4.325 0.03 1 309 29 29 GLY C C 174.574 0.30 1 310 29 29 GLY CA C 45.634 0.30 1 311 29 29 GLY N N 107.708 0.20 1 312 30 30 ASP H H 8.473 0.03 1 313 30 30 ASP HA H 4.612 0.03 1 314 30 30 ASP HB2 H 2.852 0.03 1 315 30 30 ASP HB3 H 2.852 0.03 1 316 30 30 ASP C C 177.107 0.30 1 317 30 30 ASP CA C 56.122 0.30 1 318 30 30 ASP CB C 40.966 0.30 1 319 30 30 ASP N N 117.998 0.20 1 320 31 31 GLU H H 9.324 0.03 1 321 31 31 GLU HA H 4.361 0.03 1 322 31 31 GLU HB2 H 2.119 0.03 2 323 31 31 GLU HB3 H 2.047 0.03 2 324 31 31 GLU HG2 H 2.236 0.03 1 325 31 31 GLU HG3 H 2.236 0.03 1 326 31 31 GLU C C 175.945 0.30 1 327 31 31 GLU CA C 57.996 0.30 1 328 31 31 GLU CB C 29.627 0.30 1 329 31 31 GLU CG C 36.538 0.30 1 330 31 31 GLU N N 120.012 0.20 1 331 32 32 TRP H H 8.005 0.03 1 332 32 32 TRP HA H 5.155 0.03 1 333 32 32 TRP HB2 H 3.116 0.03 2 334 32 32 TRP HB3 H 3.011 0.03 2 335 32 32 TRP HD1 H 7.355 0.03 1 336 32 32 TRP HE1 H 10.256 0.03 1 337 32 32 TRP HZ2 H 7.650 0.03 1 338 32 32 TRP HZ3 H 6.947 0.03 1 339 32 32 TRP HH2 H 7.124 0.03 1 340 32 32 TRP C C 176.129 0.30 1 341 32 32 TRP CA C 56.574 0.30 1 342 32 32 TRP CB C 31.269 0.30 1 343 32 32 TRP N N 120.458 0.20 1 344 32 32 TRP NE1 N 129.295 0.20 1 345 33 33 LYS H H 9.691 0.03 1 346 33 33 LYS HA H 4.684 0.03 1 347 33 33 LYS HB2 H 1.880 0.03 1 348 33 33 LYS HB3 H 1.880 0.03 1 349 33 33 LYS HG2 H 1.442 0.03 1 350 33 33 LYS HG3 H 1.442 0.03 1 351 33 33 LYS HD2 H 1.760 0.03 1 352 33 33 LYS HD3 H 1.760 0.03 1 353 33 33 LYS HE2 H 3.013 0.03 1 354 33 33 LYS HE3 H 3.013 0.03 1 355 33 33 LYS C C 174.820 0.30 1 356 33 33 LYS CA C 55.065 0.30 1 357 33 33 LYS CB C 33.534 0.30 1 358 33 33 LYS CG C 25.080 0.30 1 359 33 33 LYS CD C 29.175 0.30 1 360 33 33 LYS CE C 42.667 0.30 1 361 33 33 LYS N N 125.342 0.20 1 362 34 34 VAL H H 8.310 0.03 1 363 34 34 VAL HA H 4.751 0.03 1 364 34 34 VAL HB H 2.002 0.03 1 365 34 34 VAL HG1 H 1.303 0.03 2 366 34 34 VAL HG2 H 0.980 0.03 2 367 34 34 VAL C C 174.917 0.30 1 368 34 34 VAL CA C 61.451 0.30 1 369 34 34 VAL CB C 33.666 0.30 1 370 34 34 VAL CG1 C 23.367 0.30 2 371 34 34 VAL CG2 C 20.778 0.30 2 372 34 34 VAL N N 124.502 0.20 1 373 35 35 TYR H H 8.747 0.03 1 374 35 35 TYR HA H 5.211 0.03 1 375 35 35 TYR HB2 H 3.289 0.03 2 376 35 35 TYR HB3 H 2.448 0.03 2 377 35 35 TYR HD1 H 7.042 0.03 1 378 35 35 TYR HD2 H 7.042 0.03 1 379 35 35 TYR HE1 H 6.697 0.03 1 380 35 35 TYR HE2 H 6.697 0.03 1 381 35 35 TYR C C 175.312 0.30 1 382 35 35 TYR CA C 56.288 0.30 1 383 35 35 TYR CB C 44.436 0.30 1 384 35 35 TYR N N 125.343 0.20 1 385 36 36 SER H H 9.487 0.03 1 386 36 36 SER HA H 6.152 0.03 1 387 36 36 SER HB2 H 4.208 0.03 2 388 36 36 SER HB3 H 3.885 0.03 2 389 36 36 SER C C 173.437 0.30 1 390 36 36 SER CA C 57.955 0.30 1 391 36 36 SER CB C 68.536 0.30 1 392 36 36 SER N N 116.658 0.20 1 393 37 37 ALA H H 8.990 0.03 1 394 37 37 ALA HA H 4.710 0.03 1 395 37 37 ALA HB H 1.253 0.03 1 396 37 37 ALA C C 174.278 0.30 1 397 37 37 ALA CA C 52.192 0.30 1 398 37 37 ALA CB C 23.779 0.30 1 399 37 37 ALA N N 122.975 0.20 1 400 38 38 GLY H H 8.226 0.03 1 401 38 38 GLY HA2 H 5.250 0.03 2 402 38 38 GLY HA3 H 3.312 0.03 2 403 38 38 GLY C C 174.364 0.30 1 404 38 38 GLY CA C 43.869 0.30 1 405 38 38 GLY N N 103.792 0.20 1 406 39 39 ILE H H 7.404 0.03 1 407 39 39 ILE HA H 3.969 0.03 1 408 39 39 ILE HB H 2.309 0.03 1 409 39 39 ILE HG12 H 1.325 0.03 1 410 39 39 ILE HG13 H 1.325 0.03 1 411 39 39 ILE HG2 H 1.091 0.03 1 412 39 39 ILE HD1 H 0.930 0.03 1 413 39 39 ILE C C 178.565 0.30 1 414 39 39 ILE CA C 64.544 0.30 1 415 39 39 ILE CB C 38.069 0.30 1 416 39 39 ILE CG1 C 29.257 0.30 1 417 39 39 ILE CG2 C 17.959 0.30 1 418 39 39 ILE CD1 C 14.103 0.30 1 419 39 39 ILE N N 118.662 0.20 1 420 40 40 GLU H H 7.914 0.03 1 421 40 40 GLU HA H 4.378 0.03 1 422 40 40 GLU HB2 H 1.849 0.03 2 423 40 40 GLU HB3 H 1.788 0.03 2 424 40 40 GLU HG2 H 2.367 0.03 2 425 40 40 GLU HG3 H 2.272 0.03 2 426 40 40 GLU C C 173.255 0.30 1 427 40 40 GLU CA C 54.315 0.30 1 428 40 40 GLU CB C 33.288 0.30 1 429 40 40 GLU CG C 36.243 0.30 1 430 40 40 GLU N N 116.260 0.20 1 431 41 41 ALA H H 8.060 0.03 1 432 41 41 ALA HA H 4.562 0.03 1 433 41 41 ALA HB H 1.086 0.03 1 434 41 41 ALA C C 177.613 0.30 1 435 41 41 ALA CA C 51.099 0.30 1 436 41 41 ALA CB C 19.573 0.30 1 437 41 41 ALA N N 121.299 0.20 1 438 42 42 HIS H H 9.172 0.03 1 439 42 42 HIS HA H 4.868 0.03 1 440 42 42 HIS HB2 H 3.576 0.03 2 441 42 42 HIS HB3 H 2.958 0.03 2 442 42 42 HIS HE1 H 7.123 0.03 1 443 42 42 HIS C C 175.907 0.30 1 444 42 42 HIS CA C 55.643 0.30 1 445 42 42 HIS CB C 31.333 0.30 1 446 42 42 HIS N N 121.455 0.20 1 447 43 43 GLY H H 7.874 0.03 1 448 43 43 GLY HA2 H 4.774 0.03 2 449 43 43 GLY HA3 H 3.866 0.03 2 450 43 43 GLY C C 174.389 0.30 1 451 43 43 GLY CA C 43.913 0.30 1 452 43 43 GLY N N 107.578 0.20 1 453 44 44 LEU H H 9.113 0.03 1 454 44 44 LEU HA H 4.172 0.03 1 455 44 44 LEU HB2 H 1.665 0.03 2 456 44 44 LEU HB3 H 1.242 0.03 2 457 44 44 LEU HG H 1.531 0.03 1 458 44 44 LEU HD1 H 0.874 0.03 2 459 44 44 LEU HD2 H 0.721 0.03 2 460 44 44 LEU C C 177.024 0.30 1 461 44 44 LEU CA C 56.397 0.30 1 462 44 44 LEU CB C 42.385 0.30 1 463 44 44 LEU CG C 28.187 0.30 1 464 44 44 LEU CD1 C 25.534 0.30 2 465 44 44 LEU CD2 C 24.411 0.30 2 466 44 44 LEU N N 122.753 0.20 1 467 45 45 ASN H H 8.200 0.03 1 468 45 45 ASN HA H 5.158 0.03 1 469 45 45 ASN HB2 H 2.913 0.03 1 470 45 45 ASN HB3 H 2.913 0.03 1 471 45 45 ASN HD21 H 8.796 0.03 2 472 45 45 ASN HD22 H 7.934 0.03 2 473 45 45 ASN CA C 51.729 0.30 1 474 45 45 ASN CB C 41.285 0.30 1 475 45 45 ASN N N 126.575 0.20 1 476 45 45 ASN ND2 N 117.058 0.20 1 477 46 46 PRO HA H 4.311 0.03 1 478 46 46 PRO HB2 H 2.429 0.03 2 479 46 46 PRO HB3 H 2.028 0.03 2 480 46 46 PRO HG2 H 2.104 0.03 1 481 46 46 PRO HG3 H 2.104 0.03 1 482 46 46 PRO HD2 H 4.136 0.03 2 483 46 46 PRO HD3 H 3.896 0.03 2 484 46 46 PRO C C 179.713 0.30 1 485 46 46 PRO CA C 65.243 0.30 1 486 46 46 PRO CB C 32.276 0.30 1 487 46 46 PRO CG C 27.501 0.30 1 488 46 46 PRO CD C 51.239 0.30 1 489 47 47 ASN H H 8.590 0.03 1 490 47 47 ASN HA H 4.568 0.03 1 491 47 47 ASN HB2 H 2.041 0.03 2 492 47 47 ASN HB3 H 1.275 0.03 2 493 47 47 ASN HD21 H 7.295 0.03 2 494 47 47 ASN HD22 H 6.865 0.03 2 495 47 47 ASN C C 177.773 0.30 1 496 47 47 ASN CA C 55.639 0.30 1 497 47 47 ASN CB C 36.798 0.30 1 498 47 47 ASN N N 118.002 0.20 1 499 47 47 ASN ND2 N 114.044 0.20 1 500 48 48 ALA H H 7.945 0.03 1 501 48 48 ALA HA H 4.320 0.03 1 502 48 48 ALA HB H 1.874 0.03 1 503 48 48 ALA C C 179.091 0.30 1 504 48 48 ALA CA C 55.468 0.30 1 505 48 48 ALA CB C 18.712 0.30 1 506 48 48 ALA N N 124.574 0.20 1 507 49 49 VAL H H 7.744 0.03 1 508 49 49 VAL HA H 3.423 0.03 1 509 49 49 VAL HB H 2.264 0.03 1 510 49 49 VAL HG1 H 1.020 0.03 2 511 49 49 VAL HG2 H 0.985 0.03 2 512 49 49 VAL C C 179.823 0.30 1 513 49 49 VAL CA C 66.543 0.30 1 514 49 49 VAL CB C 31.916 0.30 1 515 49 49 VAL CG1 C 22.583 0.30 2 516 49 49 VAL CG2 C 21.320 0.30 2 517 49 49 VAL N N 118.656 0.20 1 518 50 50 LYS H H 8.236 0.03 1 519 50 50 LYS HA H 4.102 0.03 1 520 50 50 LYS HB2 H 2.002 0.03 1 521 50 50 LYS HB3 H 2.002 0.03 1 522 50 50 LYS HG2 H 1.662 0.03 2 523 50 50 LYS HG3 H 1.503 0.03 2 524 50 50 LYS HD2 H 1.049 0.03 2 525 50 50 LYS HD3 H 0.874 0.03 2 526 50 50 LYS HE2 H 3.423 0.03 1 527 50 50 LYS HE3 H 3.423 0.03 1 528 50 50 LYS C C 179.018 0.30 1 529 50 50 LYS CA C 60.115 0.30 1 530 50 50 LYS CB C 33.495 0.30 1 531 50 50 LYS CG C 25.113 0.30 1 532 50 50 LYS CD C 29.608 0.30 1 533 50 50 LYS CE C 41.688 0.30 1 534 50 50 LYS N N 122.531 0.20 1 535 51 51 ALA H H 8.806 0.03 1 536 51 51 ALA HA H 4.325 0.03 1 537 51 51 ALA HB H 1.509 0.03 1 538 51 51 ALA C C 180.839 0.30 1 539 51 51 ALA CA C 55.711 0.30 1 540 51 51 ALA CB C 17.102 0.30 1 541 51 51 ALA N N 122.220 0.20 1 542 52 52 MET H H 8.008 0.03 1 543 52 52 MET HA H 4.568 0.03 1 544 52 52 MET HB2 H 2.130 0.03 2 545 52 52 MET HB3 H 1.913 0.03 2 546 52 52 MET HG2 H 2.827 0.03 2 547 52 52 MET HG3 H 2.342 0.03 2 548 52 52 MET HE H 0.916 0.03 1 549 52 52 MET C C 178.596 0.30 1 550 52 52 MET CA C 55.540 0.30 1 551 52 52 MET CB C 28.942 0.30 1 552 52 52 MET CG C 33.119 0.30 1 553 52 52 MET N N 116.607 0.20 1 554 53 53 LYS H H 8.153 0.03 1 555 53 53 LYS HA H 3.938 0.03 1 556 53 53 LYS HB2 H 2.091 0.03 2 557 53 53 LYS HB3 H 2.027 0.03 2 558 53 53 LYS HG2 H 1.609 0.03 2 559 53 53 LYS HG3 H 1.504 0.03 2 560 53 53 LYS HD2 H 1.693 0.03 1 561 53 53 LYS HD3 H 1.693 0.03 1 562 53 53 LYS HE2 H 2.974 0.03 1 563 53 53 LYS HE3 H 2.974 0.03 1 564 53 53 LYS C C 180.545 0.30 1 565 53 53 LYS CA C 59.484 0.30 1 566 53 53 LYS CB C 32.251 0.30 1 567 53 53 LYS CG C 25.253 0.30 1 568 53 53 LYS CD C 29.327 0.30 1 569 53 53 LYS CE C 42.250 0.30 1 570 53 53 LYS N N 123.643 0.20 1 571 54 54 GLU H H 7.724 0.03 1 572 54 54 GLU HA H 4.264 0.03 1 573 54 54 GLU HB2 H 2.353 0.03 1 574 54 54 GLU HB3 H 2.353 0.03 1 575 54 54 GLU HG2 H 2.515 0.03 1 576 54 54 GLU HG3 H 2.515 0.03 1 577 54 54 GLU C C 178.042 0.30 1 578 54 54 GLU CA C 59.354 0.30 1 579 54 54 GLU CB C 30.422 0.30 1 580 54 54 GLU CG C 37.614 0.30 1 581 54 54 GLU N N 118.943 0.20 1 582 55 55 VAL H H 7.243 0.03 1 583 55 55 VAL HA H 4.774 0.03 1 584 55 55 VAL HB H 2.718 0.03 1 585 55 55 VAL HG1 H 1.091 0.03 2 586 55 55 VAL HG2 H 0.749 0.03 2 587 55 55 VAL C C 175.634 0.30 1 588 55 55 VAL CA C 60.128 0.30 1 589 55 55 VAL CB C 30.718 0.30 1 590 55 55 VAL CG1 C 21.180 0.30 2 591 55 55 VAL CG2 C 19.916 0.30 2 592 55 55 VAL N N 108.867 0.20 1 593 56 56 GLY H H 7.855 0.03 1 594 56 56 GLY HA2 H 4.169 0.03 2 595 56 56 GLY HA3 H 3.796 0.03 2 596 56 56 GLY C C 174.358 0.30 1 597 56 56 GLY CA C 45.992 0.30 1 598 56 56 GLY N N 108.838 0.20 1 599 57 57 ILE H H 7.818 0.03 1 600 57 57 ILE HA H 4.074 0.03 1 601 57 57 ILE HB H 1.030 0.03 1 602 57 57 ILE HG12 H 0.587 0.03 1 603 57 57 ILE HG13 H 0.587 0.03 1 604 57 57 ILE HG2 H 0.420 0.03 1 605 57 57 ILE HD1 H -0.006 0.03 1 606 57 57 ILE C C 173.827 0.30 1 607 57 57 ILE CA C 60.698 0.30 1 608 57 57 ILE CB C 40.093 0.30 1 609 57 57 ILE CG1 C 27.360 0.30 1 610 57 57 ILE CG2 C 17.106 0.30 1 611 57 57 ILE CD1 C 14.016 0.30 1 612 57 57 ILE N N 122.184 0.20 1 613 58 58 ASP H H 8.922 0.03 1 614 58 58 ASP HA H 4.673 0.03 1 615 58 58 ASP HB2 H 2.997 0.03 2 616 58 58 ASP HB3 H 2.568 0.03 2 617 58 58 ASP C C 177.179 0.30 1 618 58 58 ASP CA C 52.355 0.30 1 619 58 58 ASP CB C 40.991 0.30 1 620 58 58 ASP N N 128.262 0.20 1 621 59 59 ILE H H 8.519 0.03 1 622 59 59 ILE HA H 4.573 0.03 1 623 59 59 ILE HB H 2.334 0.03 1 624 59 59 ILE HG12 H 1.125 0.03 1 625 59 59 ILE HG13 H 1.125 0.03 1 626 59 59 ILE HG2 H 0.771 0.03 1 627 59 59 ILE HD1 H 0.632 0.03 1 628 59 59 ILE C C 176.594 0.30 1 629 59 59 ILE CA C 61.279 0.30 1 630 59 59 ILE CB C 37.898 0.30 1 631 59 59 ILE CG1 C 27.922 0.30 1 632 59 59 ILE CG2 C 18.371 0.30 1 633 59 59 ILE CD1 C 14.719 0.30 1 634 59 59 ILE N N 120.031 0.20 1 635 60 60 SER H H 8.607 0.03 1 636 60 60 SER HA H 3.885 0.03 1 637 60 60 SER HB2 H 4.008 0.03 1 638 60 60 SER HB3 H 4.008 0.03 1 639 60 60 SER C C 174.242 0.30 1 640 60 60 SER CA C 62.200 0.30 1 641 60 60 SER CB C 63.374 0.30 1 642 60 60 SER N N 117.393 0.20 1 643 61 61 ASN H H 8.335 0.03 1 644 61 61 ASN HA H 4.983 0.03 1 645 61 61 ASN HB2 H 2.910 0.03 2 646 61 61 ASN HB3 H 2.715 0.03 2 647 61 61 ASN HD21 H 7.526 0.03 2 648 61 61 ASN HD22 H 6.874 0.03 2 649 61 61 ASN C C 176.102 0.30 1 650 61 61 ASN CA C 52.762 0.30 1 651 61 61 ASN CB C 39.015 0.30 1 652 61 61 ASN N N 118.610 0.20 1 653 61 61 ASN ND2 N 114.031 0.20 1 654 62 62 GLN H H 7.673 0.03 1 655 62 62 GLN HA H 4.364 0.03 1 656 62 62 GLN HB2 H 2.448 0.03 2 657 62 62 GLN HB3 H 2.208 0.03 2 658 62 62 GLN HG2 H 2.342 0.03 1 659 62 62 GLN HG3 H 2.342 0.03 1 660 62 62 GLN HE21 H 8.913 0.03 2 661 62 62 GLN HE22 H 6.706 0.03 2 662 62 62 GLN C C 175.037 0.30 1 663 62 62 GLN CA C 57.124 0.30 1 664 62 62 GLN CB C 28.425 0.30 1 665 62 62 GLN CG C 37.193 0.30 1 666 62 62 GLN N N 122.517 0.20 1 667 62 62 GLN NE2 N 117.014 0.20 1 668 63 63 THR H H 8.769 0.03 1 669 63 63 THR HA H 4.414 0.03 1 670 63 63 THR HB H 4.432 0.03 1 671 63 63 THR HG2 H 1.281 0.03 1 672 63 63 THR C C 175.076 0.30 1 673 63 63 THR CA C 60.317 0.30 1 674 63 63 THR CB C 69.476 0.30 1 675 63 63 THR N N 111.182 0.20 1 676 64 64 SER H H 8.779 0.03 1 677 64 64 SER HA H 4.868 0.03 1 678 64 64 SER HB2 H 4.033 0.03 2 679 64 64 SER HB3 H 3.442 0.03 2 680 64 64 SER C C 173.613 0.30 1 681 64 64 SER CA C 56.460 0.30 1 682 64 64 SER CB C 64.904 0.30 1 683 64 64 SER N N 118.970 0.20 1 684 65 65 ASP H H 10.521 0.03 1 685 65 65 ASP HA H 5.175 0.03 1 686 65 65 ASP HB2 H 2.952 0.03 2 687 65 65 ASP HB3 H 2.813 0.03 2 688 65 65 ASP C C 175.199 0.30 1 689 65 65 ASP CA C 54.484 0.30 1 690 65 65 ASP CB C 46.755 0.30 1 691 65 65 ASP N N 131.956 0.20 1 692 66 66 ILE H H 7.960 0.03 1 693 66 66 ILE HA H 5.130 0.03 1 694 66 66 ILE HB H 2.027 0.03 1 695 66 66 ILE HG12 H 1.493 0.03 2 696 66 66 ILE HG13 H 1.247 0.03 2 697 66 66 ILE HG2 H 1.052 0.03 1 698 66 66 ILE HD1 H 0.997 0.03 1 699 66 66 ILE C C 177.547 0.30 1 700 66 66 ILE CA C 59.590 0.30 1 701 66 66 ILE CB C 39.454 0.30 1 702 66 66 ILE CG1 C 26.925 0.30 1 703 66 66 ILE CG2 C 18.964 0.30 1 704 66 66 ILE CD1 C 14.297 0.30 1 705 66 66 ILE N N 116.556 0.20 1 706 67 67 ILE H H 7.552 0.03 1 707 67 67 ILE HA H 3.370 0.03 1 708 67 67 ILE HB H 1.621 0.03 1 709 67 67 ILE HG12 H 1.493 0.03 1 710 67 67 ILE HG13 H 1.493 0.03 1 711 67 67 ILE HG2 H 0.804 0.03 1 712 67 67 ILE HD1 H 0.787 0.03 1 713 67 67 ILE C C 174.653 0.30 1 714 67 67 ILE CA C 63.957 0.30 1 715 67 67 ILE CB C 38.866 0.30 1 716 67 67 ILE CG1 C 29.190 0.30 1 717 67 67 ILE CG2 C 17.528 0.30 1 718 67 67 ILE CD1 C 14.839 0.30 1 719 67 67 ILE N N 123.319 0.20 1 720 68 68 ASP H H 8.301 0.03 1 721 68 68 ASP HA H 4.918 0.03 1 722 68 68 ASP HB2 H 2.880 0.03 2 723 68 68 ASP HB3 H 2.635 0.03 2 724 68 68 ASP C C 176.912 0.30 1 725 68 68 ASP CA C 52.363 0.30 1 726 68 68 ASP CB C 43.484 0.30 1 727 68 68 ASP N N 129.631 0.20 1 728 69 69 SER H H 9.169 0.03 1 729 69 69 SER HA H 4.066 0.03 1 730 69 69 SER HB2 H 3.966 0.03 1 731 69 69 SER HB3 H 3.966 0.03 1 732 69 69 SER C C 175.710 0.30 1 733 69 69 SER CA C 62.430 0.30 1 734 69 69 SER CB C 63.253 0.30 1 735 69 69 SER N N 123.254 0.20 1 736 70 70 ASP H H 8.454 0.03 1 737 70 70 ASP HA H 4.540 0.03 1 738 70 70 ASP HB2 H 2.818 0.03 2 739 70 70 ASP HB3 H 2.612 0.03 2 740 70 70 ASP C C 178.619 0.30 1 741 70 70 ASP CA C 57.696 0.30 1 742 70 70 ASP CB C 40.717 0.30 1 743 70 70 ASP N N 122.509 0.20 1 744 71 71 ILE H H 7.526 0.03 1 745 71 71 ILE HA H 3.442 0.03 1 746 71 71 ILE HB H 1.398 0.03 1 747 71 71 ILE HG12 H 0.534 0.03 2 748 71 71 ILE HG13 H 1.197 0.03 2 749 71 71 ILE HG2 H -0.379 0.03 1 750 71 71 ILE HD1 H 0.161 0.03 1 751 71 71 ILE C C 178.018 0.30 1 752 71 71 ILE CA C 64.634 0.30 1 753 71 71 ILE CB C 36.984 0.30 1 754 71 71 ILE CG1 C 27.720 0.30 1 755 71 71 ILE CG2 C 16.264 0.30 1 756 71 71 ILE CD1 C 11.488 0.30 1 757 71 71 ILE N N 121.467 0.20 1 758 72 72 LEU H H 8.107 0.03 1 759 72 72 LEU HA H 3.969 0.03 1 760 72 72 LEU HB2 H 1.997 0.03 2 761 72 72 LEU HB3 H 1.557 0.03 2 762 72 72 LEU HG H 0.959 0.03 1 763 72 72 LEU HD1 H 0.982 0.03 1 764 72 72 LEU HD2 H 0.982 0.03 1 765 72 72 LEU C C 176.896 0.30 1 766 72 72 LEU CA C 58.749 0.30 1 767 72 72 LEU CB C 43.347 0.30 1 768 72 72 LEU CG C 26.518 0.30 1 769 72 72 LEU CD1 C 25.113 0.30 1 770 72 72 LEU CD2 C 25.113 0.30 1 771 72 72 LEU N N 118.945 0.20 1 772 73 73 ASN H H 7.861 0.03 1 773 73 73 ASN HA H 4.501 0.03 1 774 73 73 ASN HB2 H 2.924 0.03 1 775 73 73 ASN HB3 H 2.924 0.03 1 776 73 73 ASN HD21 H 7.740 0.03 2 777 73 73 ASN HD22 H 6.951 0.03 2 778 73 73 ASN C C 176.634 0.30 1 779 73 73 ASN CA C 55.562 0.30 1 780 73 73 ASN CB C 39.533 0.30 1 781 73 73 ASN N N 110.700 0.20 1 782 73 73 ASN ND2 N 113.257 0.20 1 783 74 74 ASN H H 7.548 0.03 1 784 74 74 ASN HA H 4.969 0.03 1 785 74 74 ASN HB2 H 2.908 0.03 2 786 74 74 ASN HB3 H 2.579 0.03 2 787 74 74 ASN HD21 H 7.810 0.03 2 788 74 74 ASN HD22 H 6.955 0.03 2 789 74 74 ASN C C 173.870 0.30 1 790 74 74 ASN CA C 53.120 0.30 1 791 74 74 ASN CB C 40.591 0.30 1 792 74 74 ASN N N 116.841 0.20 1 793 74 74 ASN ND2 N 115.431 0.20 1 794 75 75 ALA H H 7.438 0.03 1 795 75 75 ALA HA H 4.038 0.03 1 796 75 75 ALA HB H 1.409 0.03 1 797 75 75 ALA C C 176.415 0.30 1 798 75 75 ALA CA C 53.282 0.30 1 799 75 75 ALA CB C 18.692 0.30 1 800 75 75 ALA N N 124.278 0.20 1 801 76 76 ASP H H 8.893 0.03 1 802 76 76 ASP HA H 4.735 0.03 1 803 76 76 ASP HB2 H 2.952 0.03 2 804 76 76 ASP HB3 H 2.763 0.03 2 805 76 76 ASP C C 176.894 0.30 1 806 76 76 ASP CA C 57.264 0.30 1 807 76 76 ASP CB C 42.446 0.30 1 808 76 76 ASP N N 122.362 0.20 1 809 77 77 LEU H H 7.996 0.03 1 810 77 77 LEU HA H 4.729 0.03 1 811 77 77 LEU HB2 H 1.632 0.03 1 812 77 77 LEU HB3 H 1.632 0.03 1 813 77 77 LEU HG H 1.103 0.03 1 814 77 77 LEU HD1 H 0.598 0.03 2 815 77 77 LEU HD2 H 0.869 0.03 2 816 77 77 LEU C C 175.568 0.30 1 817 77 77 LEU CA C 55.268 0.30 1 818 77 77 LEU CB C 45.853 0.30 1 819 77 77 LEU CG C 26.939 0.30 1 820 77 77 LEU CD1 C 23.146 0.30 9 821 77 77 LEU CD2 C 23.146 0.30 9 822 77 77 LEU N N 120.164 0.20 1 823 78 78 VAL H H 8.795 0.03 1 824 78 78 VAL HA H 4.907 0.03 1 825 78 78 VAL HB H 1.852 0.03 1 826 78 78 VAL HG1 H 1.016 0.03 2 827 78 78 VAL HG2 H 0.868 0.03 2 828 78 78 VAL C C 173.661 0.30 1 829 78 78 VAL CA C 59.730 0.30 1 830 78 78 VAL CB C 33.751 0.30 1 831 78 78 VAL CG1 C 23.146 0.30 2 832 78 78 VAL CG2 C 21.742 0.30 2 833 78 78 VAL N N 126.552 0.20 1 834 79 79 VAL H H 8.332 0.03 1 835 79 79 VAL HA H 4.824 0.03 1 836 79 79 VAL HB H 1.339 0.03 1 837 79 79 VAL HG1 H -0.179 0.03 2 838 79 79 VAL HG2 H -0.324 0.03 2 839 79 79 VAL C C 176.820 0.30 1 840 79 79 VAL CA C 59.426 0.30 1 841 79 79 VAL CB C 33.750 0.30 1 842 79 79 VAL CG1 C 19.354 0.30 1 843 79 79 VAL CG2 C 19.354 0.30 1 844 79 79 VAL N N 127.338 0.20 1 845 80 80 THR H H 8.824 0.03 1 846 80 80 THR HA H 5.367 0.03 1 847 80 80 THR HB H 4.626 0.03 1 848 80 80 THR HG2 H 1.119 0.03 1 849 80 80 THR C C 176.759 0.30 1 850 80 80 THR CA C 59.825 0.30 1 851 80 80 THR CB C 69.397 0.30 1 852 80 80 THR CG2 C 22.585 0.30 1 853 80 80 THR N N 116.640 0.20 1 854 81 81 LEU H H 7.766 0.03 1 855 81 81 LEU HA H 5.868 0.03 1 856 81 81 LEU HB2 H 2.314 0.03 2 857 81 81 LEU HB3 H 1.918 0.03 2 858 81 81 LEU HG H 1.445 0.03 1 859 81 81 LEU HD1 H 0.855 0.03 1 860 81 81 LEU HD2 H 0.855 0.03 1 861 81 81 LEU C C 177.898 0.30 1 862 81 81 LEU CA C 55.128 0.30 1 863 81 81 LEU CB C 44.742 0.30 1 864 81 81 LEU CG C 24.692 0.30 1 865 81 81 LEU CD1 C 28.484 0.30 1 866 81 81 LEU CD2 C 28.484 0.30 1 867 81 81 LEU N N 119.386 0.20 1 868 82 82 CYS H H 7.717 0.03 1 869 82 82 CYS HA H 4.584 0.03 1 870 82 82 CYS HB2 H 4.072 0.03 2 871 82 82 CYS HB3 H 3.465 0.03 2 872 82 82 CYS C C 174.447 0.30 1 873 82 82 CYS CA C 56.428 0.30 1 874 82 82 CYS CB C 45.045 0.30 1 875 82 82 CYS N N 115.957 0.20 1 876 83 83 GLY H H 8.036 0.03 1 877 83 83 GLY HA2 H 4.484 0.03 2 878 83 83 GLY HA3 H 3.498 0.03 2 879 83 83 GLY C C 173.471 0.30 1 880 83 83 GLY CA C 45.590 0.30 1 881 83 83 GLY N N 113.806 0.20 1 882 84 84 ASP H H 8.846 0.03 1 883 84 84 ASP HA H 4.863 0.03 1 884 84 84 ASP HB2 H 2.807 0.03 2 885 84 84 ASP HB3 H 2.618 0.03 2 886 84 84 ASP C C 177.445 0.30 1 887 84 84 ASP CA C 53.722 0.30 1 888 84 84 ASP CB C 45.433 0.30 1 889 84 84 ASP N N 124.323 0.20 1 890 85 85 ALA H H 9.037 0.03 1 891 85 85 ALA HA H 4.217 0.03 1 892 85 85 ALA HB H 1.504 0.03 1 893 85 85 ALA C C 178.443 0.30 1 894 85 85 ALA CA C 54.803 0.30 1 895 85 85 ALA CB C 18.637 0.30 1 896 85 85 ALA N N 131.241 0.20 1 897 86 86 ALA H H 9.270 0.03 1 898 86 86 ALA HA H 4.423 0.03 1 899 86 86 ALA HB H 1.464 0.03 1 900 86 86 ALA C C 178.438 0.30 1 901 86 86 ALA CA C 52.413 0.30 1 902 86 86 ALA CB C 18.847 0.30 1 903 86 86 ALA N N 119.920 0.20 1 904 87 87 ASP H H 7.802 0.03 1 905 87 87 ASP HA H 4.623 0.03 1 906 87 87 ASP HB2 H 3.013 0.03 2 907 87 87 ASP HB3 H 2.657 0.03 2 908 87 87 ASP C C 176.710 0.30 1 909 87 87 ASP CA C 55.480 0.30 1 910 87 87 ASP CB C 42.735 0.30 1 911 87 87 ASP N N 118.252 0.20 1 912 88 88 LYS H H 8.169 0.03 1 913 88 88 LYS HA H 4.478 0.03 1 914 88 88 LYS HB2 H 1.832 0.03 1 915 88 88 LYS HB3 H 1.832 0.03 1 916 88 88 LYS HG2 H 1.543 0.03 1 917 88 88 LYS HG3 H 1.543 0.03 1 918 88 88 LYS HD2 H 1.781 0.03 1 919 88 88 LYS HD3 H 1.781 0.03 1 920 88 88 LYS HE2 H 3.077 0.03 1 921 88 88 LYS HE3 H 3.077 0.03 1 922 88 88 LYS C C 174.372 0.30 1 923 88 88 LYS CA C 55.737 0.30 1 924 88 88 LYS CB C 32.826 0.30 1 925 88 88 LYS CG C 24.568 0.30 1 926 88 88 LYS CD C 29.327 0.30 1 927 88 88 LYS CE C 42.530 0.30 1 928 88 88 LYS N N 121.548 0.20 1 929 89 89 CYS H H 8.682 0.03 1 930 89 89 CYS HA H 5.024 0.03 1 931 89 89 CYS HB2 H 3.303 0.03 2 932 89 89 CYS HB3 H 3.047 0.03 2 933 89 89 CYS CA C 54.674 0.30 1 934 89 89 CYS CB C 40.673 0.30 1 935 89 89 CYS N N 124.420 0.20 1 936 90 90 PRO HA H 4.406 0.03 1 937 90 90 PRO HB2 H 2.166 0.03 2 938 90 90 PRO HB3 H 1.743 0.03 2 939 90 90 PRO HG2 H 1.851 0.03 2 940 90 90 PRO HG3 H 1.816 0.03 2 941 90 90 PRO HD2 H 3.625 0.03 2 942 90 90 PRO HD3 H 3.592 0.03 2 943 90 90 PRO C C 175.153 0.30 1 944 90 90 PRO CA C 62.808 0.30 1 945 90 90 PRO CB C 32.020 0.30 1 946 90 90 PRO CG C 27.641 0.30 1 947 90 90 PRO CD C 50.537 0.30 1 948 91 91 MET H H 8.261 0.03 1 949 91 91 MET HA H 4.529 0.03 1 950 91 91 MET HB2 H 2.038 0.03 1 951 91 91 MET HB3 H 2.038 0.03 1 952 91 91 MET HG2 H 2.685 0.03 2 953 91 91 MET HG3 H 2.612 0.03 2 954 91 91 MET C C 176.082 0.30 1 955 91 91 MET CA C 54.844 0.30 1 956 91 91 MET CB C 33.260 0.30 1 957 91 91 MET CG C 32.277 0.30 1 958 91 91 MET N N 120.611 0.20 1 959 92 92 THR H H 8.061 0.03 1 960 92 92 THR HA H 4.735 0.03 1 961 92 92 THR HB H 4.072 0.03 1 962 92 92 THR HG2 H 0.947 0.03 1 963 92 92 THR CA C 58.715 0.30 1 964 92 92 THR CB C 68.190 0.30 1 965 92 92 THR CG2 C 22.330 0.30 1 966 92 92 THR N N 113.122 0.20 1 967 93 93 PRO HA H 4.865 0.03 1 968 93 93 PRO HB2 H 2.644 0.03 1 969 93 93 PRO HB3 H 2.644 0.03 1 970 93 93 PRO HG2 H 2.185 0.03 2 971 93 93 PRO HG3 H 1.951 0.03 2 972 93 93 PRO HD2 H 3.766 0.03 2 973 93 93 PRO HD3 H 3.276 0.03 2 974 93 93 PRO CA C 63.687 0.30 1 975 93 93 PRO CB C 31.900 0.30 1 976 94 94 PRO HA H 4.424 0.03 1 977 94 94 PRO HB2 H 2.469 0.03 2 978 94 94 PRO HB3 H 2.131 0.03 2 979 94 94 PRO HG2 H 2.230 0.03 1 980 94 94 PRO HG3 H 2.230 0.03 1 981 94 94 PRO HD2 H 3.970 0.03 1 982 94 94 PRO HD3 H 3.970 0.03 1 983 94 94 PRO C C 176.887 0.30 1 984 94 94 PRO CA C 65.228 0.30 1 985 94 94 PRO CB C 32.201 0.30 1 986 94 94 PRO CG C 27.370 0.30 1 987 94 94 PRO CD C 51.099 0.30 1 988 95 95 HIS H H 7.793 0.03 1 989 95 95 HIS HA H 4.713 0.03 1 990 95 95 HIS HB2 H 3.459 0.03 2 991 95 95 HIS HB3 H 2.988 0.03 2 992 95 95 HIS HE1 H 6.937 0.03 1 993 95 95 HIS C C 175.003 0.30 1 994 95 95 HIS CA C 57.124 0.30 1 995 95 95 HIS CB C 30.446 0.30 1 996 95 95 HIS N N 112.870 0.20 1 997 96 96 VAL H H 7.010 0.03 1 998 96 96 VAL HA H 4.128 0.03 1 999 96 96 VAL HB H 1.742 0.03 1 1000 96 96 VAL HG1 H 0.870 0.03 2 1001 96 96 VAL HG2 H 0.544 0.03 2 1002 96 96 VAL C C 175.597 0.30 1 1003 96 96 VAL CA C 61.291 0.30 1 1004 96 96 VAL CB C 33.434 0.30 1 1005 96 96 VAL CG1 C 21.194 0.30 1 1006 96 96 VAL CG2 C 21.194 0.30 1 1007 96 96 VAL N N 122.817 0.20 1 1008 97 97 LYS H H 8.800 0.03 1 1009 97 97 LYS HA H 4.151 0.03 1 1010 97 97 LYS HB2 H 2.104 0.03 2 1011 97 97 LYS HB3 H 2.017 0.03 2 1012 97 97 LYS HG2 H 1.633 0.03 2 1013 97 97 LYS HG3 H 1.499 0.03 2 1014 97 97 LYS HD2 H 1.930 0.03 1 1015 97 97 LYS HD3 H 1.930 0.03 1 1016 97 97 LYS HE2 H 3.232 0.03 1 1017 97 97 LYS HE3 H 3.232 0.03 1 1018 97 97 LYS C C 174.031 0.30 1 1019 97 97 LYS CA C 57.836 0.30 1 1020 97 97 LYS CB C 32.189 0.30 1 1021 97 97 LYS CG C 25.268 0.30 1 1022 97 97 LYS CD C 29.467 0.30 1 1023 97 97 LYS CE C 42.811 0.30 1 1024 97 97 LYS N N 131.533 0.20 1 1025 98 98 ARG H H 8.300 0.03 1 1026 98 98 ARG HA H 5.732 0.03 1 1027 98 98 ARG HB2 H 1.638 0.03 2 1028 98 98 ARG HB3 H 1.545 0.03 2 1029 98 98 ARG HG2 H 1.476 0.03 2 1030 98 98 ARG HG3 H 1.400 0.03 2 1031 98 98 ARG HD2 H 3.129 0.03 2 1032 98 98 ARG HD3 H 3.053 0.03 2 1033 98 98 ARG C C 176.352 0.30 1 1034 98 98 ARG CA C 53.522 0.30 1 1035 98 98 ARG CB C 33.748 0.30 1 1036 98 98 ARG CG C 27.079 0.30 1 1037 98 98 ARG CD C 43.654 0.30 1 1038 98 98 ARG N N 126.672 0.20 1 1039 99 99 GLU H H 8.908 0.03 1 1040 99 99 GLU HA H 4.617 0.03 1 1041 99 99 GLU HB2 H 1.882 0.03 2 1042 99 99 GLU HB3 H 1.213 0.03 2 1043 99 99 GLU HG2 H 2.254 0.03 1 1044 99 99 GLU HG3 H 2.254 0.03 1 1045 99 99 GLU C C 180.679 0.30 1 1046 99 99 GLU CA C 54.544 0.30 1 1047 99 99 GLU CB C 33.617 0.30 1 1048 99 99 GLU CG C 36.434 0.30 1 1049 99 99 GLU N N 126.282 0.20 1 1050 100 100 HIS H H 8.910 0.03 1 1051 100 100 HIS HA H 5.267 0.03 1 1052 100 100 HIS HB2 H 3.150 0.03 2 1053 100 100 HIS HB3 H 2.649 0.03 2 1054 100 100 HIS HD2 H 7.123 0.03 1 1055 100 100 HIS HE1 H 6.948 0.03 1 1056 100 100 HIS C C 174.216 0.30 1 1057 100 100 HIS CA C 55.553 0.30 1 1058 100 100 HIS CB C 33.058 0.30 1 1059 100 100 HIS N N 122.105 0.20 1 1060 101 101 TRP H H 8.363 0.03 1 1061 101 101 TRP HA H 4.918 0.03 1 1062 101 101 TRP HB2 H 3.457 0.03 2 1063 101 101 TRP HB3 H 2.869 0.03 2 1064 101 101 TRP HD1 H 7.124 0.03 1 1065 101 101 TRP HE1 H 10.341 0.03 1 1066 101 101 TRP HZ2 H 7.024 0.03 1 1067 101 101 TRP HZ3 H 6.888 0.03 1 1068 101 101 TRP HH2 H 7.233 0.03 1 1069 101 101 TRP C C 172.240 0.30 1 1070 101 101 TRP CA C 51.598 0.30 1 1071 101 101 TRP CB C 30.161 0.30 1 1072 101 101 TRP N N 132.158 0.20 1 1073 101 101 TRP NE1 N 129.717 0.20 1 1074 102 102 GLY H H 7.672 0.03 1 1075 102 102 GLY HA2 H 3.248 0.03 1 1076 102 102 GLY HA3 H 3.248 0.03 1 1077 102 102 GLY C C 173.633 0.30 1 1078 102 102 GLY CA C 46.636 0.30 1 1079 102 102 GLY N N 105.185 0.20 1 1080 103 103 PHE H H 7.629 0.03 1 1081 103 103 PHE HA H 4.959 0.03 1 1082 103 103 PHE HB2 H 3.382 0.03 2 1083 103 103 PHE HB3 H 2.561 0.03 2 1084 103 103 PHE C C 175.386 0.30 1 1085 103 103 PHE CA C 57.820 0.30 1 1086 103 103 PHE CB C 43.904 0.30 1 1087 103 103 PHE N N 120.520 0.20 1 1088 104 104 ASP H H 9.238 0.03 1 1089 104 104 ASP HA H 4.487 0.03 1 1090 104 104 ASP HB2 H 2.910 0.03 2 1091 104 104 ASP HB3 H 2.567 0.03 2 1092 104 104 ASP C C 174.646 0.30 1 1093 104 104 ASP CA C 54.885 0.30 1 1094 104 104 ASP CB C 42.527 0.30 1 1095 104 104 ASP N N 124.910 0.20 1 1096 105 105 ASP H H 9.086 0.03 1 1097 105 105 ASP HA H 4.645 0.03 1 1098 105 105 ASP HB2 H 2.974 0.03 2 1099 105 105 ASP HB3 H 2.701 0.03 2 1100 105 105 ASP CA C 51.409 0.30 1 1101 105 105 ASP CB C 42.414 0.30 1 1102 105 105 ASP N N 117.881 0.20 1 1103 106 106 PRO HA H 3.901 0.03 1 1104 106 106 PRO HB2 H 1.218 0.03 2 1105 106 106 PRO HB3 H 0.376 0.03 2 1106 106 106 PRO HG2 H 1.604 0.03 2 1107 106 106 PRO HG3 H 1.424 0.03 2 1108 106 106 PRO HD2 H 3.976 0.03 1 1109 106 106 PRO HD3 H 3.976 0.03 1 1110 106 106 PRO C C 176.791 0.30 1 1111 106 106 PRO CA C 63.743 0.30 1 1112 106 106 PRO CB C 30.343 0.30 1 1113 106 106 PRO CG C 27.501 0.30 1 1114 106 106 PRO CD C 49.975 0.30 1 1115 107 107 ALA H H 8.184 0.03 1 1116 107 107 ALA HA H 4.342 0.03 1 1117 107 107 ALA HB H 1.655 0.03 1 1118 107 107 ALA C C 178.634 0.30 1 1119 107 107 ALA CA C 54.037 0.30 1 1120 107 107 ALA CB C 18.593 0.30 1 1121 107 107 ALA N N 120.422 0.20 1 1122 108 108 ARG H H 7.127 0.03 1 1123 108 108 ARG HA H 4.413 0.03 1 1124 108 108 ARG HB2 H 2.143 0.03 2 1125 108 108 ARG HB3 H 1.719 0.03 2 1126 108 108 ARG HG2 H 1.608 0.03 1 1127 108 108 ARG HG3 H 1.608 0.03 1 1128 108 108 ARG HD2 H 3.261 0.03 1 1129 108 108 ARG HD3 H 3.261 0.03 1 1130 108 108 ARG HE H 7.521 0.03 1 1131 108 108 ARG C C 175.970 0.30 1 1132 108 108 ARG CA C 55.230 0.30 1 1133 108 108 ARG CB C 30.902 0.30 1 1134 108 108 ARG CG C 27.922 0.30 1 1135 108 108 ARG CD C 43.795 0.30 1 1136 108 108 ARG N N 116.001 0.20 1 1137 109 109 ALA H H 6.785 0.03 1 1138 109 109 ALA HA H 3.774 0.03 1 1139 109 109 ALA HB H 0.859 0.03 1 1140 109 109 ALA C C 176.910 0.30 1 1141 109 109 ALA CA C 53.169 0.30 1 1142 109 109 ALA CB C 18.868 0.30 1 1143 109 109 ALA N N 123.575 0.20 1 1144 110 110 GLN H H 8.474 0.03 1 1145 110 110 GLN HA H 4.634 0.03 1 1146 110 110 GLN HB2 H 2.242 0.03 2 1147 110 110 GLN HB3 H 1.957 0.03 2 1148 110 110 GLN HG2 H 2.444 0.03 2 1149 110 110 GLN HG3 H 2.488 0.03 2 1150 110 110 GLN HE21 H 7.487 0.03 2 1151 110 110 GLN HE22 H 6.930 0.03 2 1152 110 110 GLN C C 174.912 0.30 1 1153 110 110 GLN CA C 54.139 0.30 1 1154 110 110 GLN CB C 31.630 0.30 1 1155 110 110 GLN CG C 34.103 0.30 1 1156 110 110 GLN N N 121.016 0.20 1 1157 110 110 GLN NE2 N 113.943 0.20 1 1158 111 111 GLY H H 8.329 0.03 1 1159 111 111 GLY HA2 H 4.860 0.03 2 1160 111 111 GLY HA3 H 3.905 0.03 2 1161 111 111 GLY C C 174.632 0.30 1 1162 111 111 GLY CA C 44.323 0.30 1 1163 111 111 GLY N N 108.308 0.20 1 1164 112 112 THR H H 8.976 0.03 1 1165 112 112 THR HA H 4.511 0.03 1 1166 112 112 THR HB H 4.959 0.03 1 1167 112 112 THR HG2 H 1.474 0.03 1 1168 112 112 THR C C 175.660 0.30 1 1169 112 112 THR CA C 61.478 0.30 1 1170 112 112 THR CB C 71.338 0.30 1 1171 112 112 THR CG2 C 22.163 0.30 1 1172 112 112 THR N N 112.313 0.20 1 1173 113 113 GLU H H 9.201 0.03 1 1174 113 113 GLU HA H 4.074 0.03 1 1175 113 113 GLU HB2 H 2.154 0.03 1 1176 113 113 GLU HB3 H 2.154 0.03 1 1177 113 113 GLU HG2 H 2.486 0.03 1 1178 113 113 GLU HG3 H 2.486 0.03 1 1179 113 113 GLU C C 179.865 0.30 1 1180 113 113 GLU CA C 60.354 0.30 1 1181 113 113 GLU CB C 29.063 0.30 1 1182 113 113 GLU CG C 36.771 0.30 1 1183 113 113 GLU N N 120.846 0.20 1 1184 114 114 GLU H H 8.964 0.03 1 1185 114 114 GLU HA H 4.326 0.03 1 1186 114 114 GLU HB2 H 2.230 0.03 2 1187 114 114 GLU HB3 H 2.137 0.03 2 1188 114 114 GLU HG2 H 2.486 0.03 1 1189 114 114 GLU HG3 H 2.486 0.03 1 1190 114 114 GLU C C 180.007 0.30 1 1191 114 114 GLU CA C 60.555 0.30 1 1192 114 114 GLU CB C 29.288 0.30 1 1193 114 114 GLU CG C 37.474 0.30 1 1194 114 114 GLU N N 119.637 0.20 1 1195 115 115 GLU H H 7.978 0.03 1 1196 115 115 GLU HA H 4.209 0.03 1 1197 115 115 GLU HB2 H 2.539 0.03 2 1198 115 115 GLU HB3 H 2.197 0.03 2 1199 115 115 GLU HG2 H 2.445 0.03 1 1200 115 115 GLU HG3 H 2.445 0.03 1 1201 115 115 GLU C C 173.871 0.30 1 1202 115 115 GLU CA C 59.498 0.30 1 1203 115 115 GLU CB C 29.895 0.30 1 1204 115 115 GLU CG C 37.755 0.30 1 1205 115 115 GLU N N 123.422 0.20 1 1206 116 116 LYS H H 8.863 0.03 1 1207 116 116 LYS HA H 4.000 0.03 1 1208 116 116 LYS HB2 H 2.067 0.03 2 1209 116 116 LYS HB3 H 1.992 0.03 2 1210 116 116 LYS HG2 H 1.632 0.03 2 1211 116 116 LYS HG3 H 1.486 0.03 2 1212 116 116 LYS HD2 H 1.727 0.03 2 1213 116 116 LYS HD3 H 1.643 0.03 2 1214 116 116 LYS HE2 H 3.110 0.03 2 1215 116 116 LYS HE3 H 2.999 0.03 2 1216 116 116 LYS C C 179.119 0.30 1 1217 116 116 LYS CA C 60.617 0.30 1 1218 116 116 LYS CB C 32.668 0.30 1 1219 116 116 LYS CG C 25.815 0.30 1 1220 116 116 LYS CD C 30.310 0.30 1 1221 116 116 LYS CE C 41.969 0.30 1 1222 116 116 LYS N N 122.106 0.20 1 1223 117 117 TRP H H 8.414 0.03 1 1224 117 117 TRP HA H 5.046 0.03 1 1225 117 117 TRP HB2 H 3.585 0.03 2 1226 117 117 TRP HB3 H 3.422 0.03 2 1227 117 117 TRP HD1 H 7.320 0.03 1 1228 117 117 TRP HE1 H 10.212 0.03 1 1229 117 117 TRP HE3 H 7.544 0.03 1 1230 117 117 TRP HZ2 H 7.557 0.03 1 1231 117 117 TRP HZ3 H 6.712 0.03 1 1232 117 117 TRP HH2 H 6.966 0.03 1 1233 117 117 TRP C C 177.650 0.30 1 1234 117 117 TRP CA C 59.322 0.30 1 1235 117 117 TRP CB C 30.162 0.30 1 1236 117 117 TRP N N 121.416 0.20 1 1237 117 117 TRP NE1 N 130.366 0.20 1 1238 118 118 ALA H H 8.060 0.03 1 1239 118 118 ALA HA H 4.423 0.03 1 1240 118 118 ALA HB H 1.626 0.03 1 1241 118 118 ALA C C 180.505 0.30 1 1242 118 118 ALA CA C 54.482 0.30 1 1243 118 118 ALA CB C 17.744 0.30 1 1244 118 118 ALA N N 120.464 0.20 1 1245 119 119 PHE H H 7.980 0.03 1 1246 119 119 PHE HA H 4.326 0.03 1 1247 119 119 PHE HB2 H 3.586 0.03 2 1248 119 119 PHE HB3 H 3.231 0.03 2 1249 119 119 PHE C C 179.021 0.30 1 1250 119 119 PHE CA C 60.392 0.30 1 1251 119 119 PHE CB C 39.826 0.30 1 1252 119 119 PHE N N 122.668 0.20 1 1253 120 120 PHE H H 8.229 0.03 1 1254 120 120 PHE HA H 3.679 0.03 1 1255 120 120 PHE HB2 H 3.388 0.03 2 1256 120 120 PHE HB3 H 2.428 0.03 2 1257 120 120 PHE HD1 H 6.722 0.03 1 1258 120 120 PHE HD2 H 6.722 0.03 1 1259 120 120 PHE HE1 H 6.972 0.03 1 1260 120 120 PHE HE2 H 6.972 0.03 1 1261 120 120 PHE HZ H 7.359 0.03 1 1262 120 120 PHE C C 177.237 0.30 1 1263 120 120 PHE CA C 64.517 0.30 1 1264 120 120 PHE CB C 40.192 0.30 1 1265 120 120 PHE N N 119.351 0.20 1 1266 121 121 GLN H H 7.913 0.03 1 1267 121 121 GLN HA H 3.301 0.03 1 1268 121 121 GLN HB2 H 2.125 0.03 2 1269 121 121 GLN HB3 H 1.850 0.03 2 1270 121 121 GLN HG2 H 2.308 0.03 1 1271 121 121 GLN HG3 H 2.308 0.03 1 1272 121 121 GLN HE21 H 8.462 0.03 2 1273 121 121 GLN HE22 H 6.617 0.03 2 1274 121 121 GLN C C 176.714 0.30 1 1275 121 121 GLN CA C 60.008 0.30 1 1276 121 121 GLN CB C 30.172 0.30 1 1277 121 121 GLN CG C 34.384 0.30 1 1278 121 121 GLN N N 116.260 0.20 1 1279 121 121 GLN NE2 N 110.863 0.20 1 1280 122 122 ARG H H 8.120 0.03 1 1281 122 122 ARG HA H 4.046 0.03 1 1282 122 122 ARG HB2 H 1.920 0.03 1 1283 122 122 ARG HB3 H 1.920 0.03 1 1284 122 122 ARG HG2 H 1.667 0.03 1 1285 122 122 ARG HG3 H 1.667 0.03 1 1286 122 122 ARG HD2 H 3.209 0.03 1 1287 122 122 ARG HD3 H 3.209 0.03 1 1288 122 122 ARG HE H 7.028 0.03 1 1289 122 122 ARG C C 177.585 0.30 1 1290 122 122 ARG CA C 59.836 0.30 1 1291 122 122 ARG CB C 29.631 0.30 1 1292 122 122 ARG CG C 27.020 0.30 1 1293 122 122 ARG CD C 43.514 0.30 1 1294 122 122 ARG N N 119.377 0.20 1 1295 123 123 VAL H H 8.220 0.03 1 1296 123 123 VAL HA H 3.767 0.03 1 1297 123 123 VAL HB H 1.875 0.03 1 1298 123 123 VAL HG1 H 1.083 0.03 2 1299 123 123 VAL HG2 H 1.073 0.03 2 1300 123 123 VAL C C 177.588 0.30 1 1301 123 123 VAL CA C 67.021 0.30 1 1302 123 123 VAL CB C 32.188 0.30 1 1303 123 123 VAL CG1 C 23.751 0.30 2 1304 123 123 VAL CG2 C 21.320 0.30 2 1305 123 123 VAL N N 119.912 0.20 1 1306 124 124 ARG H H 8.254 0.03 1 1307 124 124 ARG HA H 4.128 0.03 1 1308 124 124 ARG HB2 H 1.944 0.03 1 1309 124 124 ARG HB3 H 1.944 0.03 1 1310 124 124 ARG HG2 H 1.701 0.03 1 1311 124 124 ARG HG3 H 1.701 0.03 1 1312 124 124 ARG HD2 H 2.714 0.03 2 1313 124 124 ARG HD3 H 2.531 0.03 2 1314 124 124 ARG C C 179.828 0.30 1 1315 124 124 ARG CA C 60.664 0.30 1 1316 124 124 ARG CB C 30.051 0.30 1 1317 124 124 ARG CG C 26.553 0.30 1 1318 124 124 ARG CD C 44.766 0.30 1 1319 124 124 ARG N N 119.760 0.20 1 1320 125 125 ASP H H 8.370 0.03 1 1321 125 125 ASP HA H 4.587 0.03 1 1322 125 125 ASP HB2 H 2.929 0.03 2 1323 125 125 ASP HB3 H 2.696 0.03 2 1324 125 125 ASP C C 178.687 0.30 1 1325 125 125 ASP CA C 57.419 0.30 1 1326 125 125 ASP CB C 39.563 0.30 1 1327 125 125 ASP N N 122.311 0.20 1 1328 126 126 GLU H H 8.754 0.03 1 1329 126 126 GLU HA H 4.064 0.03 1 1330 126 126 GLU HB2 H 2.445 0.03 2 1331 126 126 GLU HB3 H 2.317 0.03 2 1332 126 126 GLU HG2 H 2.713 0.03 1 1333 126 126 GLU HG3 H 2.713 0.03 1 1334 126 126 GLU C C 180.610 0.30 1 1335 126 126 GLU CA C 59.691 0.30 1 1336 126 126 GLU CB C 30.305 0.30 1 1337 126 126 GLU CG C 36.944 0.30 1 1338 126 126 GLU N N 123.719 0.20 1 1339 127 127 ILE H H 8.317 0.03 1 1340 127 127 ILE HA H 3.144 0.03 1 1341 127 127 ILE HB H 1.627 0.03 1 1342 127 127 ILE HG12 H 1.091 0.03 2 1343 127 127 ILE HG13 H -0.676 0.03 2 1344 127 127 ILE HG2 H 0.666 0.03 1 1345 127 127 ILE HD1 H 0.675 0.03 1 1346 127 127 ILE C C 177.642 0.30 1 1347 127 127 ILE CA C 65.587 0.30 1 1348 127 127 ILE CB C 37.815 0.30 1 1349 127 127 ILE CG1 C 27.079 0.30 1 1350 127 127 ILE CG2 C 17.528 0.30 1 1351 127 127 ILE CD1 C 15.702 0.30 1 1352 127 127 ILE N N 122.120 0.20 1 1353 128 128 GLY H H 7.961 0.03 1 1354 128 128 GLY HA2 H 2.017 0.03 2 1355 128 128 GLY HA3 H 1.941 0.03 2 1356 128 128 GLY C C 175.314 0.30 1 1357 128 128 GLY CA C 46.116 0.30 1 1358 128 128 GLY N N 108.419 0.20 1 1359 129 129 ASN H H 8.150 0.03 1 1360 129 129 ASN HA H 4.180 0.03 1 1361 129 129 ASN HB2 H 2.713 0.03 1 1362 129 129 ASN HB3 H 2.713 0.03 1 1363 129 129 ASN HD21 H 7.562 0.03 2 1364 129 129 ASN HD22 H 6.921 0.03 2 1365 129 129 ASN C C 177.924 0.30 1 1366 129 129 ASN CA C 55.796 0.30 1 1367 129 129 ASN CB C 38.128 0.30 1 1368 129 129 ASN N N 119.119 0.20 1 1369 129 129 ASN ND2 N 113.304 0.20 1 1370 130 130 ARG H H 7.648 0.03 1 1371 130 130 ARG HA H 4.168 0.03 1 1372 130 130 ARG HB2 H 1.794 0.03 1 1373 130 130 ARG HB3 H 1.794 0.03 1 1374 130 130 ARG HG2 H 2.003 0.03 1 1375 130 130 ARG HG3 H 2.003 0.03 1 1376 130 130 ARG HD2 H 2.568 0.03 1 1377 130 130 ARG HD3 H 2.568 0.03 1 1378 130 130 ARG HE H 6.227 0.03 1 1379 130 130 ARG C C 178.940 0.30 1 1380 130 130 ARG CA C 56.883 0.30 1 1381 130 130 ARG CB C 29.079 0.30 1 1382 130 130 ARG CG C 26.436 0.30 1 1383 130 130 ARG CD C 42.081 0.30 1 1384 130 130 ARG N N 121.785 0.20 1 1385 131 131 LEU H H 8.167 0.03 1 1386 131 131 LEU HA H 4.180 0.03 1 1387 131 131 LEU HB2 H 2.015 0.03 2 1388 131 131 LEU HB3 H 1.563 0.03 2 1389 131 131 LEU HG H 1.266 0.03 1 1390 131 131 LEU HD1 H 0.666 0.03 1 1391 131 131 LEU HD2 H 0.666 0.03 1 1392 131 131 LEU C C 178.236 0.30 1 1393 131 131 LEU CA C 56.863 0.30 1 1394 131 131 LEU CB C 41.783 0.30 1 1395 131 131 LEU CG C 29.939 0.30 1 1396 131 131 LEU CD1 C 26.237 0.30 2 1397 131 131 LEU CD2 C 24.411 0.30 2 1398 131 131 LEU N N 122.764 0.20 1 1399 132 132 LYS H H 8.295 0.03 1 1400 132 132 LYS HA H 3.070 0.03 1 1401 132 132 LYS HB2 H 1.644 0.03 2 1402 132 132 LYS HB3 H 1.295 0.03 2 1403 132 132 LYS HG2 H 0.940 0.03 2 1404 132 132 LYS HG3 H 1.027 0.03 2 1405 132 132 LYS HD2 H 1.498 0.03 2 1406 132 132 LYS HD3 H 1.430 0.03 2 1407 132 132 LYS HE2 H 2.860 0.03 1 1408 132 132 LYS HE3 H 2.860 0.03 1 1409 132 132 LYS C C 178.491 0.30 1 1410 132 132 LYS CA C 60.000 0.30 1 1411 132 132 LYS CB C 32.037 0.30 1 1412 132 132 LYS CG C 24.411 0.30 1 1413 132 132 LYS CD C 29.608 0.30 1 1414 132 132 LYS CE C 42.250 0.30 1 1415 132 132 LYS N N 123.404 0.20 1 1416 133 133 GLU H H 7.486 0.03 1 1417 133 133 GLU HA H 4.104 0.03 1 1418 133 133 GLU HB2 H 2.096 0.03 2 1419 133 133 GLU HB3 H 2.015 0.03 2 1420 133 133 GLU HG2 H 2.317 0.03 1 1421 133 133 GLU HG3 H 2.317 0.03 1 1422 133 133 GLU C C 180.162 0.30 1 1423 133 133 GLU CA C 59.236 0.30 1 1424 133 133 GLU CB C 29.570 0.30 1 1425 133 133 GLU CG C 35.893 0.30 1 1426 133 133 GLU N N 118.690 0.20 1 1427 134 134 PHE H H 8.208 0.03 1 1428 134 134 PHE HA H 4.640 0.03 1 1429 134 134 PHE HB2 H 3.225 0.03 1 1430 134 134 PHE HB3 H 3.225 0.03 1 1431 134 134 PHE HD1 H 7.159 0.03 1 1432 134 134 PHE HD2 H 7.159 0.03 1 1433 134 134 PHE HE1 H 7.042 0.03 1 1434 134 134 PHE HE2 H 7.042 0.03 1 1435 134 134 PHE HZ H 6.940 0.03 1 1436 134 134 PHE C C 178.523 0.30 1 1437 134 134 PHE CA C 60.910 0.30 1 1438 134 134 PHE CB C 39.959 0.30 1 1439 134 134 PHE N N 123.624 0.20 1 1440 135 135 ALA H H 8.901 0.03 1 1441 135 135 ALA HA H 3.837 0.03 1 1442 135 135 ALA HB H 1.539 0.03 1 1443 135 135 ALA C C 179.419 0.30 1 1444 135 135 ALA CA C 54.857 0.30 1 1445 135 135 ALA CB C 18.937 0.30 1 1446 135 135 ALA N N 123.576 0.20 1 1447 136 136 GLU H H 8.032 0.03 1 1448 136 136 GLU HA H 4.238 0.03 1 1449 136 136 GLU HB2 H 2.185 0.03 2 1450 136 136 GLU HB3 H 2.103 0.03 2 1451 136 136 GLU HG2 H 2.295 0.03 1 1452 136 136 GLU HG3 H 2.295 0.03 1 1453 136 136 GLU C C 178.513 0.30 1 1454 136 136 GLU CA C 58.390 0.30 1 1455 136 136 GLU CB C 30.830 0.30 1 1456 136 136 GLU CG C 36.912 0.30 1 1457 136 136 GLU N N 115.826 0.20 1 1458 137 137 THR H H 8.201 0.03 1 1459 137 137 THR HA H 4.586 0.03 1 1460 137 137 THR HB H 4.342 0.03 1 1461 137 137 THR HG2 H 1.358 0.03 1 1462 137 137 THR C C 176.119 0.30 1 1463 137 137 THR CA C 62.596 0.30 1 1464 137 137 THR CB C 71.907 0.30 1 1465 137 137 THR CG2 C 21.320 0.30 1 1466 137 137 THR N N 108.922 0.20 1 1467 138 138 GLY H H 8.462 0.03 1 1468 138 138 GLY HA2 H 4.023 0.03 2 1469 138 138 GLY HA3 H 3.540 0.03 2 1470 138 138 GLY C C 173.396 0.30 1 1471 138 138 GLY CA C 45.724 0.30 1 1472 138 138 GLY N N 113.392 0.20 1 1473 139 139 LYS H H 7.839 0.03 1 1474 139 139 LYS HA H 4.512 0.03 1 1475 139 139 LYS HB2 H 1.927 0.03 2 1476 139 139 LYS HB3 H 1.794 0.03 2 1477 139 139 LYS HG2 H 1.434 0.03 1 1478 139 139 LYS HG3 H 1.434 0.03 1 1479 139 139 LYS HD2 H 1.764 0.03 1 1480 139 139 LYS HD3 H 1.764 0.03 1 1481 139 139 LYS HE2 H 3.093 0.03 1 1482 139 139 LYS HE3 H 3.093 0.03 1 1483 139 139 LYS CA C 57.350 0.30 1 1484 139 139 LYS CB C 34.871 0.30 1 1485 139 139 LYS CG C 24.590 0.30 1 1486 139 139 LYS CD C 29.370 0.30 1 1487 139 139 LYS N N 125.686 0.20 1 stop_ save_