data_18154 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; apo_YqcA ; _BMRB_accession_number 18154 _BMRB_flat_file_name bmr18154.str _Entry_type original _Submission_date 2011-12-20 _Accession_date 2011-12-20 _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 Fu Wenyu . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 761 "13C chemical shifts" 560 "15N chemical shifts" 137 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-04-22 original author . stop_ _Original_release_date 2014-04-22 save_ ############################# # Citation for this entry # ############################# save_apo_YqcA _Saveframe_category entry_citation _Citation_full . _Citation_title '(1)H, (13)C and (15)N resonance assignments of the apo and holo states of flavodoxin YqcA from Escherichia coli.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23749454 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ye Qian . . 2 Hu Yunfei . . 3 Jin Changwen . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'YqcA from Escherichia coli' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'YqcA from Escherichia coli' $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 16281.191 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 149 _Mol_residue_sequence ; MAEIGIFVGTMYGNSLLVAE EAEAILTAQGHKATVFEDPE LSDWLPYQDKYVLVVTSTTG QGDLPDSIVPLFQGIKDSLG FQPNLRYGVIALGDSSYVNF CNGGKQFDALLQEQSAQRVG EMLLIDASENPEPETESNPW VEQWGTLLS ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 GLU 4 ILE 5 GLY 6 ILE 7 PHE 8 VAL 9 GLY 10 THR 11 MET 12 TYR 13 GLY 14 ASN 15 SER 16 LEU 17 LEU 18 VAL 19 ALA 20 GLU 21 GLU 22 ALA 23 GLU 24 ALA 25 ILE 26 LEU 27 THR 28 ALA 29 GLN 30 GLY 31 HIS 32 LYS 33 ALA 34 THR 35 VAL 36 PHE 37 GLU 38 ASP 39 PRO 40 GLU 41 LEU 42 SER 43 ASP 44 TRP 45 LEU 46 PRO 47 TYR 48 GLN 49 ASP 50 LYS 51 TYR 52 VAL 53 LEU 54 VAL 55 VAL 56 THR 57 SER 58 THR 59 THR 60 GLY 61 GLN 62 GLY 63 ASP 64 LEU 65 PRO 66 ASP 67 SER 68 ILE 69 VAL 70 PRO 71 LEU 72 PHE 73 GLN 74 GLY 75 ILE 76 LYS 77 ASP 78 SER 79 LEU 80 GLY 81 PHE 82 GLN 83 PRO 84 ASN 85 LEU 86 ARG 87 TYR 88 GLY 89 VAL 90 ILE 91 ALA 92 LEU 93 GLY 94 ASP 95 SER 96 SER 97 TYR 98 VAL 99 ASN 100 PHE 101 CYS 102 ASN 103 GLY 104 GLY 105 LYS 106 GLN 107 PHE 108 ASP 109 ALA 110 LEU 111 LEU 112 GLN 113 GLU 114 GLN 115 SER 116 ALA 117 GLN 118 ARG 119 VAL 120 GLY 121 GLU 122 MET 123 LEU 124 LEU 125 ILE 126 ASP 127 ALA 128 SER 129 GLU 130 ASN 131 PRO 132 GLU 133 PRO 134 GLU 135 THR 136 GLU 137 SER 138 ASN 139 PRO 140 TRP 141 VAL 142 GLU 143 GLN 144 TRP 145 GLY 146 THR 147 LEU 148 LEU 149 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-15 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 19151 entity 100.00 149 100.00 100.00 3.21e-103 BMRB 19152 holo_YqcA 100.00 149 100.00 100.00 3.21e-103 BMRB 25013 YqcA 100.00 149 100.00 100.00 3.21e-103 BMRB 25014 YqcA 100.00 149 100.00 100.00 3.21e-103 PDB 2M6R Apo_yqca 100.00 149 99.33 99.33 1.25e-102 PDB 2M6S Holo_yqca 100.00 149 99.33 99.33 1.25e-102 DBJ BAB37073 "hypothetical protein [Escherichia coli O157:H7 str. Sakai]" 100.00 149 100.00 100.00 3.21e-103 DBJ BAE76862 "predicted flavoprotein [Escherichia coli str. K12 substr. W3110]" 100.00 149 100.00 100.00 3.21e-103 DBJ BAG78574 "conserved hypothetical protein [Escherichia coli SE11]" 100.00 149 99.33 100.00 1.75e-102 DBJ BAI27051 "predicted flavoprotein [Escherichia coli O26:H11 str. 11368]" 100.00 149 99.33 100.00 1.75e-102 DBJ BAI32080 "predicted flavoprotein [Escherichia coli O103:H2 str. 12009]" 100.00 149 100.00 100.00 3.21e-103 EMBL CAP77223 "Uncharacterized protein yqcA [Escherichia coli LF82]" 100.00 149 97.32 98.66 1.17e-101 EMBL CAQ33114 "predicted flavoprotein [Escherichia coli BL21(DE3)]" 100.00 149 99.33 99.33 1.25e-102 EMBL CAQ99718 "putative flavoprotein [Escherichia coli IAI1]" 100.00 149 99.33 100.00 1.75e-102 EMBL CAR04300 "putative flavoprotein [Escherichia coli S88]" 100.00 149 98.66 99.33 1.95e-102 EMBL CAR09403 "putative flavoprotein [Escherichia coli ED1a]" 100.00 149 98.66 99.33 1.95e-102 GB AAB40440 "corresponds to hypothetical protein from E. carotovora PIR Accession Number S45107; ORF_f150 [Escherichia coli str. K-12 substr" 100.00 149 100.00 100.00 3.21e-103 GB AAC75832 "short-chain flavodoxin, FMN-binding [Escherichia coli str. K-12 substr. MG1655]" 100.00 149 100.00 100.00 3.21e-103 GB AAG57904 "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" 100.00 149 100.00 100.00 3.21e-103 GB AAN44291 "conserved hypothetical protein [Shigella flexneri 2a str. 301]" 100.00 149 100.00 100.00 3.21e-103 GB AAN81803 "Hypothetical protein yqcA [Escherichia coli CFT073]" 100.00 149 98.66 99.33 1.95e-102 REF NP_311677 "flavodoxin [Escherichia coli O157:H7 str. Sakai]" 100.00 149 100.00 100.00 3.21e-103 REF NP_417270 "short-chain flavodoxin, FMN-binding [Escherichia coli str. K-12 substr. MG1655]" 100.00 149 100.00 100.00 3.21e-103 REF NP_708584 "flavodoxin [Shigella flexneri 2a str. 301]" 100.00 149 100.00 100.00 3.21e-103 REF WP_000229279 "flavodoxin [Escherichia coli]" 100.00 149 97.32 97.99 7.02e-101 REF WP_000807726 "flavodoxin [Escherichia coli]" 100.00 149 99.33 100.00 1.14e-102 SP P65367 "RecName: Full=Uncharacterized protein YqcA" 100.00 149 100.00 100.00 3.21e-103 SP P65368 "RecName: Full=Uncharacterized protein YqcA" 100.00 149 100.00 100.00 3.21e-103 SP P65369 "RecName: Full=Uncharacterized protein YqcA" 100.00 149 100.00 100.00 3.21e-103 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 'E. coli' 562 Bacteria . Escherichia coli stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity 'recombinant technology' . Escherichia coli . pET21a(+) 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 $entity 1 mM [U-15N] 'sodium phosphate' 30 mM 'natural abundance' DTT 40 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1 mM '[U-13C; U-15N]' 'sodium phosphate' 30 mM 'natural abundance' DTT 40 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_HCCH-COSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 180 . mM pH 7 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _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 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0 internal 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'YqcA from Escherichia coli' _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 ALA HA H 4.229 . 1 2 2 2 ALA HB H 1.018 . 1 3 2 2 ALA C C 173.315 . 1 4 2 2 ALA CA C 51.580 . 1 5 2 2 ALA CB C 20.223 . 1 6 3 3 GLU H H 8.696 . 1 7 3 3 GLU HA H 5.274 . 1 8 3 3 GLU HB2 H 2.225 . 2 9 3 3 GLU HB3 H 2.200 . 2 10 3 3 GLU HG2 H 2.399 . 2 11 3 3 GLU HG3 H 2.341 . 2 12 3 3 GLU C C 174.545 . 1 13 3 3 GLU CA C 55.850 . 1 14 3 3 GLU CB C 31.720 . 1 15 3 3 GLU CG C 37.168 . 1 16 3 3 GLU N N 121.874 . 1 17 4 4 ILE H H 8.860 . 1 18 4 4 ILE HA H 5.109 . 1 19 4 4 ILE HB H 1.478 . 1 20 4 4 ILE HG12 H 0.650 . 1 21 4 4 ILE HG13 H 1.245 . 1 22 4 4 ILE HG2 H 0.789 . 1 23 4 4 ILE HD1 H 0.455 . 1 24 4 4 ILE C C 175.463 . 1 25 4 4 ILE CA C 59.833 . 1 26 4 4 ILE CB C 43.670 . 1 27 4 4 ILE CG1 C 28.000 . 1 28 4 4 ILE CG2 C 18.900 . 1 29 4 4 ILE CD1 C 18.500 . 1 30 4 4 ILE N N 120.672 . 1 31 5 5 GLY H H 8.469 . 1 32 5 5 GLY HA2 H 4.386 . 2 33 5 5 GLY HA3 H 2.189 . 2 34 5 5 GLY C C 171.260 . 1 35 5 5 GLY CA C 43.820 . 1 36 5 5 GLY N N 119.310 . 1 37 6 6 ILE H H 9.056 . 1 38 6 6 ILE HA H 5.190 . 1 39 6 6 ILE HB H 1.699 . 1 40 6 6 ILE HG12 H 0.773 . 1 41 6 6 ILE HG13 H 1.415 . 1 42 6 6 ILE HG2 H 0.723 . 1 43 6 6 ILE HD1 H 0.632 . 1 44 6 6 ILE C C 173.901 . 1 45 6 6 ILE CA C 60.000 . 1 46 6 6 ILE CB C 38.000 . 1 47 6 6 ILE CG1 C 26.950 . 1 48 6 6 ILE CG2 C 17.000 . 1 49 6 6 ILE CD1 C 13.837 . 1 50 6 6 ILE N N 126.915 . 1 51 7 7 PHE H H 8.960 . 1 52 7 7 PHE HA H 4.512 . 1 53 7 7 PHE HB2 H 2.820 . 2 54 7 7 PHE HD1 H 7.130 . 3 55 7 7 PHE HE1 H 6.613 . 3 56 7 7 PHE C C 174.230 . 1 57 7 7 PHE CA C 58.410 . 1 58 7 7 PHE CB C 41.728 . 1 59 7 7 PHE N N 127.354 . 1 60 8 8 VAL HA H 5.060 . 1 61 8 8 VAL HB H 1.945 . 1 62 8 8 VAL HG1 H 0.700 . 2 63 8 8 VAL HG2 H 0.704 . 2 64 8 8 VAL C C 175.450 . 1 65 8 8 VAL CA C 61.200 . 1 66 8 8 VAL CB C 34.437 . 1 67 8 8 VAL CG1 C 23.000 . 1 68 8 8 VAL CG2 C 21.690 . 1 69 9 9 GLY H H 9.393 . 1 70 9 9 GLY HA2 H 3.760 . 2 71 9 9 GLY HA3 H 4.554 . 2 72 9 9 GLY C C 173.150 . 1 73 9 9 GLY CA C 45.000 . 1 74 9 9 GLY N N 115.000 . 1 75 12 12 TYR HA H 4.695 . 1 76 12 12 TYR HB2 H 3.351 . 2 77 12 12 TYR HB3 H 3.107 . 2 78 12 12 TYR HD2 H 7.230 . 3 79 12 12 TYR HE2 H 6.900 . 3 80 12 12 TYR C C 176.560 . 1 81 12 12 TYR CA C 57.750 . 1 82 12 12 TYR CB C 38.000 . 1 83 13 13 GLY H H 8.500 . 1 84 13 13 GLY HA2 H 3.770 . 2 85 13 13 GLY HA3 H 4.810 . 2 86 13 13 GLY C C 175.930 . 1 87 13 13 GLY CA C 46.000 . 1 88 13 13 GLY N N 109.870 . 1 89 17 17 LEU HA H 4.230 . 1 90 17 17 LEU HB2 H 1.870 . 2 91 17 17 LEU HB3 H 1.740 . 2 92 17 17 LEU HG H 1.613 . 1 93 17 17 LEU HD1 H 0.986 . 2 94 17 17 LEU HD2 H 0.911 . 2 95 17 17 LEU C C 179.210 . 1 96 17 17 LEU CA C 58.400 . 1 97 17 17 LEU CB C 41.300 . 1 98 17 17 LEU CG C 27.450 . 1 99 17 17 LEU CD1 C 24.730 . 1 100 17 17 LEU CD2 C 24.830 . 1 101 18 18 VAL H H 7.645 . 1 102 18 18 VAL HA H 3.323 . 1 103 18 18 VAL HB H 2.080 . 1 104 18 18 VAL HG1 H 0.970 . 2 105 18 18 VAL HG2 H 0.771 . 2 106 18 18 VAL C C 178.460 . 1 107 18 18 VAL CA C 66.866 . 1 108 18 18 VAL CB C 31.460 . 1 109 18 18 VAL CG1 C 22.683 . 1 110 18 18 VAL CG2 C 20.882 . 1 111 18 18 VAL N N 117.231 . 1 112 19 19 ALA H H 8.010 . 1 113 19 19 ALA HA H 3.816 . 1 114 19 19 ALA HB H 1.411 . 1 115 19 19 ALA C C 178.180 . 1 116 19 19 ALA CA C 55.576 . 1 117 19 19 ALA CB C 20.000 . 1 118 19 19 ALA N N 121.820 . 1 119 20 20 GLU H H 8.700 . 1 120 20 20 GLU HA H 4.016 . 1 121 20 20 GLU HB2 H 2.229 . 2 122 20 20 GLU HB3 H 2.030 . 2 123 20 20 GLU HG2 H 2.532 . 2 124 20 20 GLU HG3 H 2.206 . 2 125 20 20 GLU C C 180.950 . 1 126 20 20 GLU CA C 59.666 . 1 127 20 20 GLU CB C 29.300 . 1 128 20 20 GLU CG C 36.731 . 1 129 20 20 GLU N N 118.960 . 1 130 21 21 GLU H H 8.632 . 1 131 21 21 GLU HA H 4.044 . 1 132 21 21 GLU HB2 H 2.744 . 2 133 21 21 GLU HB3 H 1.981 . 2 134 21 21 GLU HG2 H 2.200 . 2 135 21 21 GLU HG3 H 2.380 . 2 136 21 21 GLU C C 179.419 . 1 137 21 21 GLU CA C 59.310 . 1 138 21 21 GLU CB C 29.561 . 1 139 21 21 GLU CG C 37.150 . 1 140 21 21 GLU N N 121.371 . 1 141 22 22 ALA H H 8.182 . 1 142 22 22 ALA HA H 4.058 . 1 143 22 22 ALA HB H 1.411 . 1 144 22 22 ALA C C 178.823 . 1 145 22 22 ALA CA C 54.677 . 1 146 22 22 ALA CB C 17.643 . 1 147 22 22 ALA N N 121.329 . 1 148 23 23 GLU H H 8.387 . 1 149 23 23 GLU HA H 3.404 . 1 150 23 23 GLU HB2 H 2.373 . 2 151 23 23 GLU HB3 H 1.760 . 2 152 23 23 GLU HG2 H 2.080 . 2 153 23 23 GLU HG3 H 1.983 . 2 154 23 23 GLU C C 178.375 . 1 155 23 23 GLU CA C 60.308 . 1 156 23 23 GLU CB C 28.930 . 1 157 23 23 GLU CG C 35.158 . 1 158 23 23 GLU N N 119.035 . 1 159 24 24 ALA H H 7.535 . 1 160 24 24 ALA HA H 4.030 . 1 161 24 24 ALA HB H 1.530 . 1 162 24 24 ALA C C 181.132 . 1 163 24 24 ALA CA C 55.487 . 1 164 24 24 ALA CB C 18.000 . 1 165 24 24 ALA N N 122.207 . 1 166 25 25 ILE H H 7.800 . 1 167 25 25 ILE HA H 3.664 . 1 168 25 25 ILE HB H 1.792 . 1 169 25 25 ILE HG12 H 1.766 . 1 170 25 25 ILE HG13 H 1.057 . 1 171 25 25 ILE HG2 H 0.827 . 1 172 25 25 ILE HD1 H 0.865 . 1 173 25 25 ILE C C 178.419 . 1 174 25 25 ILE CA C 65.108 . 1 175 25 25 ILE CB C 38.963 . 1 176 25 25 ILE CG1 C 29.728 . 1 177 25 25 ILE CG2 C 16.893 . 1 178 25 25 ILE CD1 C 14.360 . 1 179 25 25 ILE N N 121.059 . 1 180 26 26 LEU H H 8.509 . 1 181 26 26 LEU HA H 4.176 . 1 182 26 26 LEU HB2 H 1.739 . 2 183 26 26 LEU HB3 H 1.246 . 2 184 26 26 LEU HG H 0.797 . 1 185 26 26 LEU HD1 H 0.952 . 2 186 26 26 LEU HD2 H 1.835 . 2 187 26 26 LEU C C 179.863 . 1 188 26 26 LEU CA C 57.946 . 1 189 26 26 LEU CB C 41.140 . 1 190 26 26 LEU CG C 25.492 . 1 191 26 26 LEU CD1 C 22.150 . 1 192 26 26 LEU CD2 C 27.000 . 1 193 26 26 LEU N N 119.307 . 1 194 27 27 THR H H 8.796 . 1 195 27 27 THR HA H 4.524 . 1 196 27 27 THR HB H 4.264 . 1 197 27 27 THR HG2 H 1.342 . 1 198 27 27 THR C C 179.027 . 1 199 27 27 THR CA C 66.000 . 1 200 27 27 THR CB C 68.600 . 1 201 27 27 THR CG2 C 21.750 . 1 202 27 27 THR N N 117.830 . 1 203 28 28 ALA H H 7.832 . 1 204 28 28 ALA HA H 4.205 . 1 205 28 28 ALA HB H 1.554 . 1 206 28 28 ALA C C 179.360 . 1 207 28 28 ALA CA C 55.000 . 1 208 28 28 ALA CB C 17.650 . 1 209 28 28 ALA N N 126.313 . 1 210 29 29 GLN H H 7.353 . 1 211 29 29 GLN HA H 4.127 . 1 212 29 29 GLN HB2 H 2.250 . 2 213 29 29 GLN HB3 H 1.950 . 2 214 29 29 GLN HG2 H 2.255 . 2 215 29 29 GLN HG3 H 2.775 . 2 216 29 29 GLN HE21 H 6.925 . 2 217 29 29 GLN HE22 H 6.970 . 2 218 29 29 GLN C C 176.547 . 1 219 29 29 GLN CA C 56.563 . 1 220 29 29 GLN CB C 29.410 . 1 221 29 29 GLN CG C 34.000 . 1 222 29 29 GLN N N 115.527 . 1 223 29 29 GLN NE2 N 106.700 . 1 224 30 30 GLY H H 7.923 . 1 225 30 30 GLY HA2 H 4.180 . 2 226 30 30 GLY HA3 H 3.649 . 2 227 30 30 GLY C C 174.785 . 1 228 30 30 GLY CA C 44.500 . 1 229 30 30 GLY N N 105.961 . 1 230 31 31 HIS H H 7.558 . 1 231 31 31 HIS HA H 4.835 . 1 232 31 31 HIS HB2 H 2.939 . 2 233 31 31 HIS HB3 H 2.491 . 2 234 31 31 HIS HD2 H 7.040 . 1 235 31 31 HIS C C 174.665 . 1 236 31 31 HIS CA C 55.842 . 1 237 31 31 HIS CB C 32.000 . 1 238 31 31 HIS N N 119.471 . 1 239 32 32 LYS H H 8.665 . 1 240 32 32 LYS HA H 4.723 . 1 241 32 32 LYS HB2 H 1.954 . 2 242 32 32 LYS HB3 H 1.810 . 2 243 32 32 LYS HG2 H 1.460 . 2 244 32 32 LYS HG3 H 1.460 . 2 245 32 32 LYS HD2 H 1.694 . 2 246 32 32 LYS HE3 H 2.979 . 2 247 32 32 LYS C C 174.466 . 1 248 32 32 LYS CA C 54.865 . 1 249 32 32 LYS CB C 32.960 . 1 250 32 32 LYS CG C 24.729 . 1 251 32 32 LYS CD C 29.206 . 1 252 32 32 LYS CE C 42.288 . 1 253 32 32 LYS N N 121.854 . 1 254 33 33 ALA H H 8.837 . 1 255 33 33 ALA HA H 5.818 . 1 256 33 33 ALA HB H 1.191 . 1 257 33 33 ALA C C 175.567 . 1 258 33 33 ALA CA C 49.976 . 1 259 33 33 ALA CB C 22.297 . 1 260 33 33 ALA N N 130.188 . 1 261 34 34 THR H H 7.826 . 1 262 34 34 THR HA H 4.359 . 1 263 34 34 THR HB H 3.731 . 1 264 34 34 THR HG2 H 0.573 . 1 265 34 34 THR C C 171.315 . 1 266 34 34 THR CA C 61.840 . 1 267 34 34 THR CB C 71.800 . 1 268 34 34 THR CG2 C 21.895 . 1 269 34 34 THR N N 117.164 . 1 270 35 35 VAL H H 8.496 . 1 271 35 35 VAL HA H 4.183 . 1 272 35 35 VAL HB H 1.791 . 1 273 35 35 VAL HG1 H 0.702 . 2 274 35 35 VAL HG2 H 0.633 . 2 275 35 35 VAL C C 174.675 . 1 276 35 35 VAL CA C 61.928 . 1 277 35 35 VAL CB C 32.650 . 1 278 35 35 VAL CG1 C 23.000 . 1 279 35 35 VAL CG2 C 21.880 . 1 280 35 35 VAL N N 126.650 . 1 281 36 36 PHE H H 9.164 . 1 282 36 36 PHE HA H 4.551 . 1 283 36 36 PHE HB2 H 2.829 . 2 284 36 36 PHE HB3 H 2.455 . 2 285 36 36 PHE HD2 H 6.470 . 3 286 36 36 PHE HE2 H 7.130 . 3 287 36 36 PHE C C 174.347 . 1 288 36 36 PHE CA C 57.482 . 1 289 36 36 PHE CB C 40.165 . 1 290 36 36 PHE CD2 C 132.300 . 3 291 36 36 PHE N N 127.630 . 1 292 37 37 GLU H H 8.455 . 1 293 37 37 GLU HA H 4.470 . 1 294 37 37 GLU HB2 H 1.944 . 2 295 37 37 GLU HB3 H 1.861 . 2 296 37 37 GLU HG2 H 2.072 . 2 297 37 37 GLU HG3 H 2.140 . 2 298 37 37 GLU C C 175.954 . 1 299 37 37 GLU CA C 55.719 . 1 300 37 37 GLU CB C 31.460 . 1 301 37 37 GLU CG C 36.969 . 1 302 37 37 GLU N N 123.516 . 1 303 38 38 ASP H H 9.602 . 1 304 38 38 ASP HA H 4.833 . 1 305 38 38 ASP HB2 H 2.814 . 2 306 38 38 ASP HB3 H 2.724 . 2 307 38 38 ASP C C 173.920 . 1 308 38 38 ASP CA C 54.477 . 1 309 38 38 ASP CB C 40.604 . 1 310 38 38 ASP N N 120.395 . 1 311 39 39 PRO HA H 4.680 . 1 312 39 39 PRO HB2 H 2.580 . 2 313 39 39 PRO HB3 H 2.278 . 2 314 39 39 PRO HG2 H 2.430 . 2 315 39 39 PRO HG3 H 2.196 . 2 316 39 39 PRO HD2 H 3.960 . 2 317 39 39 PRO C C 176.274 . 1 318 39 39 PRO CA C 62.984 . 1 319 39 39 PRO CB C 34.400 . 1 320 39 39 PRO CG C 28.700 . 1 321 39 39 PRO CD C 50.400 . 1 322 40 40 GLU H H 9.178 . 1 323 40 40 GLU HA H 4.728 . 1 324 40 40 GLU HB2 H 2.286 . 2 325 40 40 GLU HB3 H 1.928 . 2 326 40 40 GLU HG2 H 2.340 . 2 327 40 40 GLU HG3 H 2.407 . 2 328 40 40 GLU C C 177.827 . 1 329 40 40 GLU CA C 53.970 . 1 330 40 40 GLU CB C 33.400 . 1 331 40 40 GLU CG C 36.479 . 1 332 40 40 GLU N N 119.026 . 1 333 41 41 LEU H H 9.160 . 1 334 41 41 LEU HA H 3.894 . 1 335 41 41 LEU HB2 H 1.880 . 2 336 41 41 LEU HB3 H 1.356 . 2 337 41 41 LEU HG H 0.740 . 1 338 41 41 LEU HD1 H 1.555 . 2 339 41 41 LEU HD2 H 0.570 . 2 340 41 41 LEU C C 178.730 . 1 341 41 41 LEU CA C 58.407 . 1 342 41 41 LEU CB C 41.653 . 1 343 41 41 LEU CG C 25.700 . 1 344 41 41 LEU CD1 C 26.630 . 1 345 41 41 LEU CD2 C 23.386 . 1 346 41 41 LEU N N 123.708 . 1 347 42 42 SER H H 8.415 . 1 348 42 42 SER HA H 4.010 . 1 349 42 42 SER HB2 H 3.950 . 2 350 42 42 SER HB3 H 3.880 . 2 351 42 42 SER C C 176.300 . 1 352 42 42 SER CA C 61.600 . 1 353 42 42 SER CB C 62.140 . 1 354 42 42 SER N N 110.500 . 1 355 43 43 ASP H H 7.690 . 1 356 43 43 ASP HA H 4.457 . 1 357 43 43 ASP HB2 H 2.926 . 2 358 43 43 ASP HB3 H 1.980 . 2 359 43 43 ASP C C 176.150 . 1 360 43 43 ASP CA C 56.750 . 1 361 43 43 ASP CB C 42.700 . 1 362 43 43 ASP N N 119.770 . 1 363 44 44 TRP H H 7.464 . 1 364 44 44 TRP HA H 4.210 . 1 365 44 44 TRP HB2 H 3.386 . 2 366 44 44 TRP HB3 H 2.710 . 2 367 44 44 TRP HD1 H 6.410 . 1 368 44 44 TRP HE1 H 10.815 . 1 369 44 44 TRP HZ2 H 7.070 . 1 370 44 44 TRP C C 177.150 . 1 371 44 44 TRP CA C 59.387 . 1 372 44 44 TRP CB C 30.310 . 1 373 44 44 TRP CD1 C 125.300 . 1 374 44 44 TRP N N 118.500 . 1 375 44 44 TRP NE1 N 129.350 . 1 376 45 45 LEU H H 7.550 . 1 377 45 45 LEU HA H 4.175 . 1 378 45 45 LEU HB2 H 1.968 . 2 379 45 45 LEU HB3 H 1.557 . 2 380 45 45 LEU HG H 2.050 . 1 381 45 45 LEU HD1 H 0.920 . 2 382 45 45 LEU HD2 H 0.950 . 2 383 45 45 LEU C C 176.300 . 1 384 45 45 LEU CA C 59.560 . 1 385 45 45 LEU CB C 39.220 . 1 386 45 45 LEU CG C 26.400 . 1 387 45 45 LEU CD1 C 23.000 . 1 388 45 45 LEU CD2 C 25.183 . 1 389 45 45 LEU N N 114.100 . 1 390 46 46 PRO HA H 4.380 . 1 391 46 46 PRO HB2 H 2.220 . 2 392 46 46 PRO HB3 H 1.206 . 2 393 46 46 PRO HG2 H 2.164 . 2 394 46 46 PRO HG3 H 1.835 . 2 395 46 46 PRO HD2 H 3.746 . 2 396 46 46 PRO HD3 H 3.471 . 2 397 46 46 PRO C C 176.799 . 1 398 46 46 PRO CA C 65.287 . 1 399 46 46 PRO CB C 31.600 . 1 400 46 46 PRO CG C 27.923 . 1 401 46 46 PRO CD C 51.700 . 1 402 47 47 TYR H H 8.291 . 1 403 47 47 TYR HA H 4.120 . 1 404 47 47 TYR HB2 H 3.159 . 2 405 47 47 TYR HB3 H 2.286 . 2 406 47 47 TYR HD1 H 7.330 . 3 407 47 47 TYR HE1 H 6.920 . 3 408 47 47 TYR C C 175.730 . 1 409 47 47 TYR CA C 59.200 . 1 410 47 47 TYR CB C 38.016 . 1 411 47 47 TYR N N 113.790 . 1 412 48 48 GLN H H 7.300 . 1 413 48 48 GLN HA H 3.885 . 1 414 48 48 GLN HB2 H 2.216 . 2 415 48 48 GLN HB3 H 2.080 . 2 416 48 48 GLN HG2 H 2.652 . 2 417 48 48 GLN HG3 H 2.571 . 2 418 48 48 GLN HE21 H 7.118 . 2 419 48 48 GLN HE22 H 7.500 . 2 420 48 48 GLN C C 174.381 . 1 421 48 48 GLN CA C 59.826 . 1 422 48 48 GLN CB C 31.000 . 1 423 48 48 GLN CG C 35.477 . 1 424 48 48 GLN N N 116.524 . 1 425 48 48 GLN NE2 N 111.080 . 1 426 49 49 ASP H H 7.854 . 1 427 49 49 ASP HA H 4.687 . 1 428 49 49 ASP HB2 H 2.750 . 2 429 49 49 ASP HB3 H 2.506 . 2 430 49 49 ASP C C 176.307 . 1 431 49 49 ASP CA C 51.735 . 1 432 49 49 ASP CB C 40.200 . 1 433 49 49 ASP N N 114.657 . 1 434 50 50 LYS H H 7.833 . 1 435 50 50 LYS HA H 4.590 . 1 436 50 50 LYS HB2 H 2.726 . 2 437 50 50 LYS HB3 H 1.791 . 2 438 50 50 LYS HG2 H 1.533 . 2 439 50 50 LYS HG3 H 1.382 . 2 440 50 50 LYS HD2 H 1.400 . 2 441 50 50 LYS HD3 H 1.735 . 2 442 50 50 LYS HE2 H 2.927 . 2 443 50 50 LYS C C 172.964 . 1 444 50 50 LYS CA C 54.693 . 1 445 50 50 LYS CB C 33.355 . 1 446 50 50 LYS CG C 25.235 . 1 447 50 50 LYS CD C 29.700 . 1 448 50 50 LYS CE C 42.700 . 1 449 50 50 LYS N N 123.514 . 1 450 51 51 TYR H H 7.745 . 1 451 51 51 TYR HA H 6.055 . 1 452 51 51 TYR HB2 H 3.160 . 2 453 51 51 TYR HB3 H 2.612 . 2 454 51 51 TYR HD1 H 6.950 . 3 455 51 51 TYR HE1 H 6.680 . 3 456 51 51 TYR C C 175.875 . 1 457 51 51 TYR CA C 56.421 . 1 458 51 51 TYR CB C 42.477 . 1 459 51 51 TYR N N 118.375 . 1 460 52 52 VAL H H 8.673 . 1 461 52 52 VAL HA H 5.500 . 1 462 52 52 VAL HB H 1.875 . 1 463 52 52 VAL HG1 H 0.331 . 2 464 52 52 VAL HG2 H 0.647 . 2 465 52 52 VAL C C 173.910 . 1 466 52 52 VAL CA C 58.696 . 1 467 52 52 VAL CB C 36.492 . 1 468 52 52 VAL CG1 C 22.490 . 1 469 52 52 VAL CG2 C 20.200 . 1 470 52 52 VAL N N 112.527 . 1 471 53 53 LEU H H 9.137 . 1 472 53 53 LEU HA H 4.900 . 1 473 53 53 LEU HB2 H 1.546 . 2 474 53 53 LEU HB3 H 1.044 . 2 475 53 53 LEU HG H 0.990 . 1 476 53 53 LEU HD1 H 0.360 . 2 477 53 53 LEU HD2 H 0.066 . 2 478 53 53 LEU C C 175.070 . 1 479 53 53 LEU CA C 52.566 . 1 480 53 53 LEU CB C 45.230 . 1 481 53 53 LEU CG C 27.036 . 1 482 53 53 LEU CD1 C 24.497 . 1 483 53 53 LEU CD2 C 21.355 . 1 484 53 53 LEU N N 124.294 . 1 485 54 54 VAL H H 8.619 . 1 486 54 54 VAL HA H 4.510 . 1 487 54 54 VAL HB H 1.863 . 1 488 54 54 VAL HG1 H 0.702 . 2 489 54 54 VAL HG2 H 0.127 . 2 490 54 54 VAL C C 174.030 . 1 491 54 54 VAL CA C 61.825 . 1 492 54 54 VAL CB C 32.691 . 1 493 54 54 VAL CG1 C 20.600 . 1 494 54 54 VAL CG2 C 19.427 . 1 495 54 54 VAL N N 127.850 . 1 496 55 55 VAL H H 8.578 . 1 497 55 55 VAL HA H 5.085 . 1 498 55 55 VAL HB H 1.874 . 1 499 55 55 VAL HG1 H 0.735 . 2 500 55 55 VAL HG2 H 0.579 . 2 501 55 55 VAL C C 174.942 . 1 502 55 55 VAL CA C 60.069 . 1 503 55 55 VAL CB C 33.222 . 1 504 55 55 VAL CG1 C 21.625 . 1 505 55 55 VAL CG2 C 20.480 . 1 506 55 55 VAL N N 127.181 . 1 507 56 56 THR H H 8.710 . 1 508 56 56 THR HA H 5.590 . 1 509 56 56 THR HB H 3.580 . 1 510 56 56 THR HG2 H 0.920 . 1 511 56 56 THR C C 172.640 . 1 512 56 56 THR CA C 59.359 . 1 513 56 56 THR CB C 70.715 . 1 514 56 56 THR CG2 C 18.700 . 1 515 56 56 THR N N 117.420 . 1 516 57 57 SER H H 8.075 . 1 517 57 57 SER HA H 5.250 . 1 518 57 57 SER HB2 H 4.030 . 2 519 57 57 SER CA C 57.730 . 1 520 57 57 SER CB C 64.500 . 1 521 58 58 THR H H 7.900 . 1 522 59 59 THR H H 9.230 . 1 523 59 59 THR HA H 4.900 . 1 524 59 59 THR HB H 4.030 . 1 525 59 59 THR HG2 H 1.300 . 1 526 59 59 THR CA C 61.200 . 1 527 59 59 THR CB C 73.400 . 1 528 59 59 THR CG2 C 22.250 . 1 529 60 60 GLY HA2 H 3.680 . 2 530 60 60 GLY CA C 46.500 . 1 531 61 61 GLN HA H 4.406 . 1 532 61 61 GLN HB2 H 2.238 . 2 533 61 61 GLN HB3 H 1.780 . 2 534 61 61 GLN HG2 H 2.313 . 2 535 61 61 GLN HE21 H 6.818 . 2 536 61 61 GLN HE22 H 7.580 . 2 537 61 61 GLN C C 175.950 . 1 538 61 61 GLN CA C 55.350 . 1 539 61 61 GLN CB C 29.160 . 1 540 61 61 GLN CG C 34.354 . 1 541 61 61 GLN NE2 N 112.440 . 1 542 62 62 GLY H H 8.073 . 1 543 62 62 GLY HA2 H 4.374 . 2 544 62 62 GLY HA3 H 3.608 . 2 545 62 62 GLY C C 173.134 . 1 546 62 62 GLY CA C 45.784 . 1 547 62 62 GLY N N 108.420 . 1 548 63 63 ASP H H 7.248 . 1 549 63 63 ASP HA H 4.780 . 1 550 63 63 ASP HB2 H 2.772 . 2 551 63 63 ASP HB3 H 2.385 . 2 552 63 63 ASP CA C 53.296 . 1 553 63 63 ASP CB C 42.740 . 1 554 63 63 ASP N N 118.400 . 1 555 64 64 LEU H H 8.445 . 1 556 64 64 LEU HA H 4.400 . 1 557 64 64 LEU HB2 H 1.161 . 2 558 64 64 LEU HB3 H 1.412 . 2 559 64 64 LEU HG H 1.410 . 1 560 64 64 LEU HD1 H 0.865 . 2 561 64 64 LEU HD2 H 0.200 . 2 562 64 64 LEU CA C 53.150 . 1 563 64 64 LEU CB C 41.687 . 1 564 64 64 LEU CG C 27.100 . 1 565 64 64 LEU CD1 C 23.860 . 1 566 64 64 LEU CD2 C 25.565 . 1 567 65 65 PRO HA H 4.293 . 1 568 65 65 PRO HB2 H 1.920 . 2 569 65 65 PRO HB3 H 2.050 . 2 570 65 65 PRO HG2 H 1.722 . 2 571 65 65 PRO HG3 H 1.610 . 2 572 65 65 PRO HD2 H 3.940 . 2 573 65 65 PRO HD3 H 3.415 . 2 574 65 65 PRO CA C 62.344 . 1 575 65 65 PRO CB C 32.480 . 1 576 65 65 PRO CG C 27.800 . 1 577 65 65 PRO CD C 50.530 . 1 578 66 66 ASP H H 8.605 . 1 579 66 66 ASP HA H 4.260 . 1 580 66 66 ASP HB2 H 2.650 . 2 581 66 66 ASP HB3 H 2.686 . 2 582 66 66 ASP CA C 57.630 . 1 583 66 66 ASP CB C 40.800 . 1 584 66 66 ASP N N 121.200 . 1 585 67 67 SER HA H 4.292 . 1 586 67 67 SER HB2 H 4.480 . 2 587 67 67 SER HB3 H 4.100 . 2 588 67 67 SER C C 175.650 . 1 589 67 67 SER CA C 60.500 . 1 590 67 67 SER CB C 63.530 . 1 591 68 68 ILE H H 7.870 . 1 592 68 68 ILE HA H 5.110 . 1 593 68 68 ILE HB H 1.746 . 1 594 68 68 ILE HG12 H 1.960 . 1 595 68 68 ILE HG13 H 1.796 . 1 596 68 68 ILE HG2 H 1.180 . 1 597 68 68 ILE HD1 H 0.715 . 1 598 68 68 ILE C C 174.713 . 1 599 68 68 ILE CA C 60.400 . 1 600 68 68 ILE CB C 43.240 . 1 601 68 68 ILE CG1 C 33.000 . 1 602 68 68 ILE CG2 C 16.900 . 1 603 68 68 ILE CD1 C 13.700 . 1 604 68 68 ILE N N 120.550 . 1 605 69 69 VAL H H 7.428 . 1 606 69 69 VAL HA H 3.745 . 1 607 69 69 VAL HB H 2.250 . 1 608 69 69 VAL HG1 H 0.960 . 2 609 69 69 VAL HG2 H 0.990 . 2 610 69 69 VAL C C 174.500 . 1 611 69 69 VAL CA C 68.550 . 1 612 69 69 VAL CB C 30.130 . 1 613 69 69 VAL CG1 C 21.400 . 1 614 69 69 VAL CG2 C 24.740 . 1 615 69 69 VAL N N 125.740 . 1 616 70 70 PRO HA H 4.292 . 1 617 70 70 PRO HB2 H 2.343 . 2 618 70 70 PRO HB3 H 1.995 . 2 619 70 70 PRO HG2 H 2.230 . 2 620 70 70 PRO HG3 H 1.930 . 2 621 70 70 PRO HD2 H 3.635 . 2 622 70 70 PRO HD3 H 3.875 . 2 623 70 70 PRO C C 180.820 . 1 624 70 70 PRO CA C 66.470 . 1 625 70 70 PRO CB C 30.657 . 1 626 70 70 PRO CG C 28.740 . 1 627 70 70 PRO CD C 50.125 . 1 628 71 71 LEU H H 7.918 . 1 629 71 71 LEU HA H 3.845 . 1 630 71 71 LEU HB2 H 2.053 . 2 631 71 71 LEU HB3 H 1.356 . 2 632 71 71 LEU HG H 1.120 . 1 633 71 71 LEU HD1 H 0.483 . 2 634 71 71 LEU HD2 H 0.907 . 2 635 71 71 LEU C C 176.489 . 1 636 71 71 LEU CA C 58.207 . 1 637 71 71 LEU CB C 41.486 . 1 638 71 71 LEU CG C 27.000 . 1 639 71 71 LEU CD1 C 22.408 . 1 640 71 71 LEU CD2 C 26.000 . 1 641 71 71 LEU N N 119.467 . 1 642 72 72 PHE H H 7.903 . 1 643 72 72 PHE HA H 3.145 . 1 644 72 72 PHE HB2 H 2.556 . 2 645 72 72 PHE HB3 H 3.056 . 2 646 72 72 PHE HD1 H 6.150 . 3 647 72 72 PHE HE1 H 7.020 . 3 648 72 72 PHE C C 175.968 . 1 649 72 72 PHE CA C 61.821 . 1 650 72 72 PHE CB C 39.547 . 1 651 72 72 PHE N N 119.361 . 1 652 73 73 GLN H H 9.042 . 1 653 73 73 GLN HA H 3.527 . 1 654 73 73 GLN HB2 H 2.073 . 2 655 73 73 GLN HB3 H 1.984 . 2 656 73 73 GLN HG2 H 2.517 . 2 657 73 73 GLN HG3 H 2.354 . 2 658 73 73 GLN HE21 H 6.750 . 2 659 73 73 GLN HE22 H 7.693 . 2 660 73 73 GLN C C 177.871 . 1 661 73 73 GLN CA C 58.140 . 1 662 73 73 GLN CB C 28.147 . 1 663 73 73 GLN CG C 33.900 . 1 664 73 73 GLN N N 116.100 . 1 665 73 73 GLN NE2 N 112.880 . 1 666 74 74 GLY H H 8.045 . 1 667 74 74 GLY HA2 H 3.909 . 2 668 74 74 GLY HA3 H 3.486 . 2 669 74 74 GLY C C 175.894 . 1 670 74 74 GLY CA C 47.280 . 1 671 74 74 GLY N N 107.110 . 1 672 75 75 ILE H H 8.174 . 1 673 75 75 ILE HA H 3.050 . 1 674 75 75 ILE HB H 1.136 . 1 675 75 75 ILE HG12 H 0.962 . 1 676 75 75 ILE HG13 H -0.527 . 1 677 75 75 ILE HG2 H 0.265 . 1 678 75 75 ILE HD1 H -0.787 . 1 679 75 75 ILE C C 178.622 . 1 680 75 75 ILE CA C 65.257 . 1 681 75 75 ILE CB C 37.968 . 1 682 75 75 ILE CG1 C 28.350 . 1 683 75 75 ILE CG2 C 17.250 . 1 684 75 75 ILE CD1 C 12.950 . 1 685 75 75 ILE N N 123.629 . 1 686 76 76 LYS H H 7.600 . 1 687 76 76 LYS HA H 3.305 . 1 688 76 76 LYS HB2 H 1.110 . 2 689 76 76 LYS HB3 H 1.562 . 2 690 76 76 LYS HG2 H 1.060 . 2 691 76 76 LYS HG3 H 1.166 . 2 692 76 76 LYS HD3 H 1.402 . 2 693 76 76 LYS HE2 H 2.871 . 2 694 76 76 LYS HE3 H 2.804 . 2 695 76 76 LYS C C 177.909 . 1 696 76 76 LYS CA C 59.705 . 1 697 76 76 LYS CB C 32.350 . 1 698 76 76 LYS CG C 24.310 . 1 699 76 76 LYS CD C 29.480 . 1 700 76 76 LYS CE C 41.750 . 1 701 76 76 LYS N N 119.363 . 1 702 77 77 ASP H H 8.482 . 1 703 77 77 ASP HA H 4.482 . 1 704 77 77 ASP HB2 H 2.655 . 2 705 77 77 ASP HB3 H 2.544 . 2 706 77 77 ASP C C 178.825 . 1 707 77 77 ASP CA C 56.280 . 1 708 77 77 ASP CB C 41.190 . 1 709 77 77 ASP N N 115.190 . 1 710 78 78 SER H H 8.273 . 1 711 78 78 SER HA H 4.728 . 1 712 78 78 SER HB2 H 3.896 . 2 713 78 78 SER HB3 H 3.812 . 2 714 78 78 SER C C 174.556 . 1 715 78 78 SER CA C 60.045 . 1 716 78 78 SER CB C 64.643 . 1 717 78 78 SER N N 112.576 . 1 718 79 79 LEU H H 7.025 . 1 719 79 79 LEU HA H 4.815 . 1 720 79 79 LEU HB2 H 2.190 . 2 721 79 79 LEU HB3 H 1.381 . 2 722 79 79 LEU HG H 0.770 . 1 723 79 79 LEU HD1 H 0.820 . 2 724 79 79 LEU HD2 H 1.483 . 2 725 79 79 LEU C C 176.251 . 1 726 79 79 LEU CA C 53.960 . 1 727 79 79 LEU CB C 39.196 . 1 728 79 79 LEU CG C 26.270 . 1 729 79 79 LEU CD1 C 22.320 . 1 730 79 79 LEU CD2 C 26.900 . 1 731 79 79 LEU N N 120.833 . 1 732 80 80 GLY H H 7.499 . 1 733 80 80 GLY HA2 H 4.499 . 2 734 80 80 GLY HA3 H 3.445 . 2 735 80 80 GLY C C 173.623 . 1 736 80 80 GLY CA C 46.229 . 1 737 80 80 GLY N N 108.861 . 1 738 81 81 PHE H H 8.018 . 1 739 81 81 PHE HA H 5.060 . 1 740 81 81 PHE HB2 H 2.990 . 2 741 81 81 PHE HD2 H 7.330 . 3 742 81 81 PHE HE2 H 7.440 . 3 743 81 81 PHE C C 174.411 . 1 744 81 81 PHE CA C 57.211 . 1 745 81 81 PHE CB C 40.620 . 1 746 81 81 PHE N N 121.441 . 1 747 82 82 GLN H H 9.588 . 1 748 82 82 GLN HA H 4.890 . 1 749 82 82 GLN HB2 H 2.435 . 2 750 82 82 GLN HB3 H 1.792 . 2 751 82 82 GLN HG2 H 2.366 . 2 752 82 82 GLN HG3 H 2.230 . 2 753 82 82 GLN C C 172.700 . 1 754 82 82 GLN CA C 54.177 . 1 755 82 82 GLN CB C 32.600 . 1 756 82 82 GLN CG C 35.100 . 1 757 82 82 GLN N N 126.480 . 1 758 83 83 PRO HA H 4.373 . 1 759 83 83 PRO HB2 H 1.782 . 2 760 83 83 PRO HB3 H 1.654 . 2 761 83 83 PRO HG2 H 1.503 . 2 762 83 83 PRO HD2 H 1.630 . 2 763 83 83 PRO HD3 H 3.056 . 2 764 83 83 PRO C C 178.163 . 1 765 83 83 PRO CA C 63.691 . 1 766 83 83 PRO CB C 31.865 . 1 767 83 83 PRO CG C 27.000 . 1 768 83 83 PRO CD C 49.000 . 1 769 84 84 ASN H H 8.578 . 1 770 84 84 ASN HA H 4.769 . 1 771 84 84 ASN HB2 H 3.008 . 2 772 84 84 ASN HB3 H 2.696 . 2 773 84 84 ASN HD21 H 6.918 . 2 774 84 84 ASN HD22 H 7.612 . 2 775 84 84 ASN C C 173.332 . 1 776 84 84 ASN CA C 52.560 . 1 777 84 84 ASN CB C 39.260 . 1 778 84 84 ASN N N 116.900 . 1 779 84 84 ASN ND2 N 114.100 . 1 780 85 85 LEU H H 7.240 . 1 781 85 85 LEU HA H 4.046 . 1 782 85 85 LEU HB2 H 2.027 . 2 783 85 85 LEU HB3 H 1.670 . 2 784 85 85 LEU HG H 1.300 . 1 785 85 85 LEU HD1 H 0.782 . 2 786 85 85 LEU HD2 H 0.935 . 2 787 85 85 LEU C C 175.880 . 1 788 85 85 LEU CA C 55.842 . 1 789 85 85 LEU CB C 42.300 . 1 790 85 85 LEU CG C 27.530 . 1 791 85 85 LEU CD1 C 24.243 . 1 792 85 85 LEU CD2 C 27.000 . 1 793 85 85 LEU N N 124.380 . 1 794 86 86 ARG H H 7.732 . 1 795 86 86 ARG HA H 5.794 . 1 796 86 86 ARG HB2 H 1.561 . 2 797 86 86 ARG HB3 H 1.330 . 2 798 86 86 ARG HG2 H 1.616 . 2 799 86 86 ARG HG3 H 1.386 . 2 800 86 86 ARG HD2 H 2.930 . 2 801 86 86 ARG HE H 6.670 . 1 802 86 86 ARG C C 175.554 . 1 803 86 86 ARG CA C 54.442 . 1 804 86 86 ARG CB C 32.873 . 1 805 86 86 ARG CG C 28.058 . 1 806 86 86 ARG CD C 42.277 . 1 807 86 86 ARG N N 128.715 . 1 808 86 86 ARG NE N 83.850 . 1 809 87 87 TYR H H 8.783 . 1 810 87 87 TYR HA H 6.765 . 1 811 87 87 TYR HB2 H 3.008 . 2 812 87 87 TYR HB3 H 2.585 . 2 813 87 87 TYR HD1 H 6.700 . 3 814 87 87 TYR HE1 H 7.190 . 3 815 87 87 TYR C C 172.931 . 1 816 87 87 TYR CA C 55.261 . 1 817 87 87 TYR CB C 44.938 . 1 818 87 87 TYR N N 117.420 . 1 819 88 88 GLY H H 8.905 . 1 820 88 88 GLY HA2 H 5.058 . 2 821 88 88 GLY HA3 H 3.527 . 2 822 88 88 GLY C C 172.621 . 1 823 88 88 GLY CA C 43.861 . 1 824 88 88 GLY N N 107.765 . 1 825 89 89 VAL H H 7.499 . 1 826 89 89 VAL HA H 5.001 . 1 827 89 89 VAL HB H 1.806 . 1 828 89 89 VAL HG1 H 1.090 . 2 829 89 89 VAL HG2 H 0.763 . 2 830 89 89 VAL C C 172.939 . 1 831 89 89 VAL CA C 60.999 . 1 832 89 89 VAL CB C 36.398 . 1 833 89 89 VAL CG1 C 21.200 . 1 834 89 89 VAL CG2 C 20.464 . 1 835 89 89 VAL N N 118.180 . 1 836 90 90 ILE H H 8.810 . 1 837 90 90 ILE HA H 4.127 . 1 838 90 90 ILE HB H 1.316 . 1 839 90 90 ILE HG12 H 0.740 . 1 840 90 90 ILE HG13 H -0.323 . 1 841 90 90 ILE HG2 H 0.428 . 1 842 90 90 ILE HD1 H 0.428 . 1 843 90 90 ILE C C 173.099 . 1 844 90 90 ILE CA C 60.488 . 1 845 90 90 ILE CB C 40.398 . 1 846 90 90 ILE CG1 C 25.490 . 1 847 90 90 ILE CG2 C 16.952 . 1 848 90 90 ILE CD1 C 13.690 . 1 849 90 90 ILE N N 125.000 . 1 850 91 91 ALA H H 9.253 . 1 851 91 91 ALA HA H 5.326 . 1 852 91 91 ALA HB H 1.112 . 1 853 91 91 ALA C C 174.000 . 1 854 91 91 ALA CA C 49.000 . 1 855 91 91 ALA CB C 22.100 . 1 856 91 91 ALA N N 129.036 . 1 857 92 92 LEU HA H 4.931 . 1 858 92 92 LEU HB2 H 1.890 . 2 859 92 92 LEU HB3 H 1.423 . 2 860 92 92 LEU HG H 1.590 . 1 861 92 92 LEU HD1 H 0.710 . 2 862 92 92 LEU HD2 H 0.770 . 2 863 92 92 LEU C C 177.366 . 1 864 92 92 LEU CA C 54.917 . 1 865 92 92 LEU CB C 43.400 . 1 866 92 92 LEU CG C 30.460 . 1 867 92 92 LEU CD1 C 25.200 . 1 868 92 92 LEU CD2 C 26.630 . 1 869 93 93 GLY H H 8.687 . 1 870 93 93 GLY HA2 H 3.916 . 2 871 93 93 GLY HA3 H 4.587 . 2 872 93 93 GLY C C 172.029 . 1 873 93 93 GLY CA C 45.730 . 1 874 93 93 GLY N N 110.663 . 1 875 94 94 ASP H H 8.129 . 1 876 94 94 ASP HA H 5.260 . 1 877 94 94 ASP HB2 H 2.926 . 2 878 94 94 ASP HB3 H 2.628 . 2 879 94 94 ASP C C 176.978 . 1 880 94 94 ASP CA C 53.607 . 1 881 94 94 ASP CB C 43.000 . 1 882 94 94 ASP N N 119.304 . 1 883 95 95 SER H H 8.878 . 1 884 95 95 SER HA H 3.895 . 1 885 95 95 SER HB2 H 3.681 . 2 886 95 95 SER HB3 H 2.789 . 2 887 95 95 SER C C 175.243 . 1 888 95 95 SER CA C 60.183 . 1 889 95 95 SER CB C 61.700 . 1 890 95 95 SER N N 123.897 . 1 891 96 96 SER H H 9.124 . 1 892 96 96 SER HA H 4.209 . 1 893 96 96 SER HB2 H 3.596 . 2 894 96 96 SER HB3 H 3.512 . 2 895 96 96 SER C C 173.900 . 1 896 96 96 SER CA C 60.197 . 1 897 96 96 SER CB C 63.000 . 1 898 96 96 SER N N 119.248 . 1 899 97 97 TYR H H 7.664 . 1 900 97 97 TYR HA H 4.888 . 1 901 97 97 TYR HB2 H 3.430 . 2 902 97 97 TYR HB3 H 3.113 . 2 903 97 97 TYR HD2 H 7.200 . 3 904 97 97 TYR HE2 H 6.832 . 3 905 97 97 TYR C C 175.972 . 1 906 97 97 TYR CA C 55.750 . 1 907 97 97 TYR CB C 39.820 . 1 908 97 97 TYR N N 120.889 . 1 909 98 98 VAL H H 7.970 . 1 910 98 98 VAL HA H 4.060 . 1 911 98 98 VAL HB H 2.130 . 1 912 98 98 VAL HG1 H 0.960 . 2 913 98 98 VAL HG2 H 0.980 . 2 914 98 98 VAL C C 175.969 . 1 915 98 98 VAL CA C 62.840 . 1 916 98 98 VAL CB C 32.600 . 1 917 98 98 VAL CG1 C 19.766 . 1 918 98 98 VAL CG2 C 20.961 . 1 919 98 98 VAL N N 116.952 . 1 920 99 99 ASN H H 8.296 . 1 921 99 99 ASN HA H 4.511 . 1 922 99 99 ASN HB2 H 2.927 . 2 923 99 99 ASN HB3 H 2.845 . 2 924 99 99 ASN HD21 H 6.870 . 2 925 99 99 ASN HD22 H 7.480 . 2 926 99 99 ASN C C 174.329 . 1 927 99 99 ASN CA C 53.031 . 1 928 99 99 ASN CB C 37.238 . 1 929 99 99 ASN N N 118.156 . 1 930 99 99 ASN ND2 N 113.090 . 1 931 100 100 PHE H H 7.855 . 1 932 100 100 PHE HA H 4.415 . 1 933 100 100 PHE HB2 H 3.309 . 2 934 100 100 PHE HB3 H 2.845 . 2 935 100 100 PHE HD1 H 7.100 . 3 936 100 100 PHE HE1 H 7.200 . 3 937 100 100 PHE C C 174.400 . 1 938 100 100 PHE CA C 58.190 . 1 939 100 100 PHE CB C 39.679 . 1 940 100 100 PHE N N 118.649 . 1 941 101 101 CYS H H 9.240 . 1 942 101 101 CYS HA H 3.585 . 1 943 101 101 CYS HB2 H 2.130 . 2 944 101 101 CYS HB3 H 2.610 . 2 945 101 101 CYS CA C 62.740 . 1 946 101 101 CYS CB C 26.000 . 1 947 102 102 ASN H H 8.300 . 1 948 102 102 ASN HA H 4.220 . 1 949 102 102 ASN HB2 H 2.848 . 2 950 102 102 ASN HB3 H 2.810 . 2 951 102 102 ASN HD21 H 6.912 . 2 952 102 102 ASN HD22 H 7.886 . 2 953 102 102 ASN CA C 57.200 . 1 954 102 102 ASN CB C 38.600 . 1 955 102 102 ASN ND2 N 113.800 . 1 956 103 103 GLY HA2 H 3.755 . 2 957 103 103 GLY HA3 H 3.540 . 2 958 103 103 GLY C C 175.690 . 1 959 103 103 GLY CA C 47.350 . 1 960 104 104 GLY H H 7.108 . 1 961 104 104 GLY HA2 H 3.570 . 2 962 104 104 GLY HA3 H 3.300 . 2 963 104 104 GLY C C 174.570 . 1 964 104 104 GLY CA C 47.350 . 1 965 104 104 GLY N N 106.150 . 1 966 105 105 LYS H H 7.708 . 1 967 105 105 LYS HA H 3.937 . 1 968 105 105 LYS HB2 H 1.940 . 2 969 105 105 LYS HG2 H 1.408 . 2 970 105 105 LYS HG3 H 1.355 . 2 971 105 105 LYS HD2 H 1.595 . 2 972 105 105 LYS HD3 H 1.694 . 2 973 105 105 LYS HE2 H 2.927 . 2 974 105 105 LYS HE3 H 2.802 . 2 975 105 105 LYS C C 179.706 . 1 976 105 105 LYS CA C 60.308 . 1 977 105 105 LYS CB C 31.797 . 1 978 105 105 LYS CG C 25.945 . 1 979 105 105 LYS CD C 29.819 . 1 980 105 105 LYS CE C 42.162 . 1 981 105 105 LYS N N 120.732 . 1 982 106 106 GLN H H 8.738 . 1 983 106 106 GLN HA H 4.142 . 1 984 106 106 GLN HB2 H 2.120 . 2 985 106 106 GLN HB3 H 1.970 . 2 986 106 106 GLN HG2 H 2.310 . 2 987 106 106 GLN HG3 H 2.411 . 2 988 106 106 GLN HE21 H 6.876 . 2 989 106 106 GLN HE22 H 6.740 . 2 990 106 106 GLN C C 179.418 . 1 991 106 106 GLN CA C 58.875 . 1 992 106 106 GLN CB C 28.759 . 1 993 106 106 GLN CG C 34.247 . 1 994 106 106 GLN N N 119.087 . 1 995 106 106 GLN NE2 N 110.360 . 1 996 107 107 PHE H H 7.922 . 1 997 107 107 PHE HA H 4.250 . 1 998 107 107 PHE HB2 H 3.226 . 2 999 107 107 PHE HB3 H 3.103 . 2 1000 107 107 PHE HD2 H 7.215 . 3 1001 107 107 PHE HE2 H 6.840 . 3 1002 107 107 PHE HZ H 6.692 . 1 1003 107 107 PHE C C 178.403 . 1 1004 107 107 PHE CA C 62.185 . 1 1005 107 107 PHE CB C 39.451 . 1 1006 107 107 PHE N N 123.088 . 1 1007 108 108 ASP H H 8.305 . 1 1008 108 108 ASP HA H 4.374 . 1 1009 108 108 ASP HB2 H 3.035 . 2 1010 108 108 ASP HB3 H 2.789 . 2 1011 108 108 ASP C C 176.973 . 1 1012 108 108 ASP CA C 58.429 . 1 1013 108 108 ASP CB C 44.123 . 1 1014 108 108 ASP N N 117.118 . 1 1015 109 109 ALA H H 8.332 . 1 1016 109 109 ALA HA H 4.050 . 1 1017 109 109 ALA HB H 1.532 . 1 1018 109 109 ALA C C 180.430 . 1 1019 109 109 ALA CA C 55.196 . 1 1020 109 109 ALA CB C 18.107 . 1 1021 109 109 ALA N N 118.590 . 1 1022 110 110 LEU H H 7.868 . 1 1023 110 110 LEU HA H 4.085 . 1 1024 110 110 LEU HB2 H 1.834 . 2 1025 110 110 LEU HB3 H 1.436 . 2 1026 110 110 LEU HG H -0.212 . 1 1027 110 110 LEU HD1 H 0.580 . 2 1028 110 110 LEU HD2 H 0.928 . 2 1029 110 110 LEU C C 177.801 . 1 1030 110 110 LEU CA C 57.640 . 1 1031 110 110 LEU CB C 41.756 . 1 1032 110 110 LEU CG C 26.700 . 1 1033 110 110 LEU CD1 C 23.300 . 1 1034 110 110 LEU CD2 C 26.890 . 1 1035 110 110 LEU N N 120.402 . 1 1036 111 111 LEU H H 7.704 . 1 1037 111 111 LEU HA H 3.718 . 1 1038 111 111 LEU HB2 H 1.340 . 2 1039 111 111 LEU HB3 H 0.617 . 2 1040 111 111 LEU HG H 1.770 . 1 1041 111 111 LEU HD1 H 0.590 . 2 1042 111 111 LEU HD2 H 0.265 . 2 1043 111 111 LEU C C 179.838 . 1 1044 111 111 LEU CA C 57.965 . 1 1045 111 111 LEU CB C 38.860 . 1 1046 111 111 LEU CG C 25.840 . 1 1047 111 111 LEU CD1 C 21.853 . 1 1048 111 111 LEU CD2 C 24.215 . 1 1049 111 111 LEU N N 116.945 . 1 1050 112 112 GLN H H 8.441 . 1 1051 112 112 GLN HA H 4.141 . 1 1052 112 112 GLN HB2 H 2.338 . 2 1053 112 112 GLN HB3 H 2.219 . 2 1054 112 112 GLN HG2 H 2.409 . 2 1055 112 112 GLN HG3 H 2.700 . 2 1056 112 112 GLN HE21 H 7.560 . 2 1057 112 112 GLN HE22 H 8.034 . 2 1058 112 112 GLN C C 181.218 . 1 1059 112 112 GLN CA C 58.966 . 1 1060 112 112 GLN CB C 29.260 . 1 1061 112 112 GLN CG C 34.693 . 1 1062 112 112 GLN N N 118.484 . 1 1063 112 112 GLN NE2 N 116.780 . 1 1064 113 113 GLU H H 8.305 . 1 1065 113 113 GLU HA H 4.181 . 1 1066 113 113 GLU HB2 H 2.345 . 2 1067 113 113 GLU HG2 H 2.448 . 2 1068 113 113 GLU C C 178.001 . 1 1069 113 113 GLU CA C 58.985 . 1 1070 113 113 GLU CB C 29.270 . 1 1071 113 113 GLU CG C 36.507 . 1 1072 113 113 GLU N N 122.905 . 1 1073 114 114 GLN H H 7.520 . 1 1074 114 114 GLN HA H 4.595 . 1 1075 114 114 GLN HB2 H 2.330 . 2 1076 114 114 GLN HB3 H 1.748 . 2 1077 114 114 GLN HG2 H 2.880 . 2 1078 114 114 GLN HG3 H 2.176 . 2 1079 114 114 GLN HE21 H 6.220 . 2 1080 114 114 GLN HE22 H 7.382 . 2 1081 114 114 GLN C C 174.538 . 1 1082 114 114 GLN CA C 56.417 . 1 1083 114 114 GLN CB C 25.830 . 1 1084 114 114 GLN CG C 33.260 . 1 1085 114 114 GLN N N 117.332 . 1 1086 114 114 GLN NE2 N 108.825 . 1 1087 115 115 SER H H 7.950 . 1 1088 115 115 SER HA H 4.200 . 1 1089 115 115 SER HB2 H 4.285 . 2 1090 115 115 SER HB3 H 4.316 . 2 1091 115 115 SER C C 172.302 . 1 1092 115 115 SER CA C 60.400 . 1 1093 115 115 SER CB C 61.325 . 1 1094 115 115 SER N N 109.100 . 1 1095 116 116 ALA H H 7.813 . 1 1096 116 116 ALA HA H 4.794 . 1 1097 116 116 ALA HB H 1.424 . 1 1098 116 116 ALA C C 176.774 . 1 1099 116 116 ALA CA C 51.690 . 1 1100 116 116 ALA CB C 21.365 . 1 1101 116 116 ALA N N 121.059 . 1 1102 117 117 GLN H H 8.591 . 1 1103 117 117 GLN HA H 4.618 . 1 1104 117 117 GLN HB2 H 2.055 . 2 1105 117 117 GLN HB3 H 2.038 . 2 1106 117 117 GLN HG2 H 2.366 . 2 1107 117 117 GLN HG3 H 2.257 . 2 1108 117 117 GLN HE21 H 6.873 . 2 1109 117 117 GLN HE22 H 7.670 . 2 1110 117 117 GLN C C 173.769 . 1 1111 117 117 GLN CA C 54.556 . 1 1112 117 117 GLN CB C 30.735 . 1 1113 117 117 GLN CG C 33.700 . 1 1114 117 117 GLN N N 118.000 . 1 1115 117 117 GLN NE2 N 112.820 . 1 1116 118 118 ARG H H 8.659 . 1 1117 118 118 ARG HA H 3.308 . 1 1118 118 118 ARG HB2 H 1.627 . 2 1119 118 118 ARG HB3 H 1.480 . 2 1120 118 118 ARG HG2 H 1.140 . 2 1121 118 118 ARG HG3 H 1.535 . 2 1122 118 118 ARG HD2 H 3.310 . 2 1123 118 118 ARG HD3 H 3.370 . 2 1124 118 118 ARG C C 176.758 . 1 1125 118 118 ARG CA C 56.186 . 1 1126 118 118 ARG CB C 30.310 . 1 1127 118 118 ARG CG C 28.459 . 1 1128 118 118 ARG CD C 43.500 . 1 1129 118 118 ARG N N 127.947 . 1 1130 119 119 VAL H H 9.520 . 1 1131 119 119 VAL HA H 4.113 . 1 1132 119 119 VAL HB H 1.847 . 1 1133 119 119 VAL HG1 H 0.935 . 2 1134 119 119 VAL HG2 H 0.424 . 2 1135 119 119 VAL C C 176.775 . 1 1136 119 119 VAL CA C 62.174 . 1 1137 119 119 VAL CB C 32.394 . 1 1138 119 119 VAL CG1 C 21.833 . 1 1139 119 119 VAL CG2 C 21.542 . 1 1140 119 119 VAL N N 131.939 . 1 1141 120 120 GLY H H 8.755 . 1 1142 120 120 GLY HA2 H 4.237 . 2 1143 120 120 GLY HA3 H 3.805 . 2 1144 120 120 GLY C C 172.757 . 1 1145 120 120 GLY CA C 43.898 . 1 1146 120 120 GLY N N 116.074 . 1 1147 121 121 GLU H H 8.594 . 1 1148 121 121 GLU HA H 4.666 . 1 1149 121 121 GLU HB2 H 2.192 . 2 1150 121 121 GLU HB3 H 1.991 . 2 1151 121 121 GLU HG2 H 2.405 . 2 1152 121 121 GLU HG3 H 2.362 . 2 1153 121 121 GLU C C 177.419 . 1 1154 121 121 GLU CA C 54.491 . 1 1155 121 121 GLU CB C 31.498 . 1 1156 121 121 GLU CG C 36.070 . 1 1157 121 121 GLU N N 118.754 . 1 1158 122 122 MET H H 8.892 . 1 1159 122 122 MET HA H 4.415 . 1 1160 122 122 MET HB2 H 1.890 . 2 1161 122 122 MET HB3 H 1.920 . 2 1162 122 122 MET HG2 H 2.272 . 2 1163 122 122 MET HG3 H 2.122 . 2 1164 122 122 MET HE H 1.100 . 1 1165 122 122 MET C C 175.351 . 1 1166 122 122 MET CA C 57.024 . 1 1167 122 122 MET CB C 34.210 . 1 1168 122 122 MET CG C 30.600 . 1 1169 122 122 MET CE C 21.200 . 1 1170 122 122 MET N N 122.642 . 1 1171 123 123 LEU H H 7.868 . 1 1172 123 123 LEU HA H 4.350 . 1 1173 123 123 LEU HB2 H -0.350 . 2 1174 123 123 LEU HB3 H 0.782 . 2 1175 123 123 LEU HG H 0.246 . 1 1176 123 123 LEU HD1 H 0.760 . 2 1177 123 123 LEU HD2 H 0.950 . 2 1178 123 123 LEU C C 173.124 . 1 1179 123 123 LEU CA C 53.739 . 1 1180 123 123 LEU CB C 41.078 . 1 1181 123 123 LEU CG C 26.300 . 1 1182 123 123 LEU CD1 C 22.200 . 1 1183 123 123 LEU CD2 C 26.490 . 1 1184 123 123 LEU N N 129.535 . 1 1185 124 124 LEU H H 8.346 . 1 1186 124 124 LEU HA H 5.055 . 1 1187 124 124 LEU HB2 H 1.820 . 2 1188 124 124 LEU HB3 H 1.416 . 2 1189 124 124 LEU HG H 1.523 . 1 1190 124 124 LEU HD1 H 0.687 . 2 1191 124 124 LEU HD2 H 0.874 . 2 1192 124 124 LEU C C 176.379 . 1 1193 124 124 LEU CA C 53.550 . 1 1194 124 124 LEU CB C 41.378 . 1 1195 124 124 LEU CG C 27.800 . 1 1196 124 124 LEU CD1 C 24.487 . 1 1197 124 124 LEU CD2 C 25.900 . 1 1198 124 124 LEU N N 127.120 . 1 1199 125 125 ILE H H 8.974 . 1 1200 125 125 ILE HA H 4.180 . 1 1201 125 125 ILE HB H 1.766 . 1 1202 125 125 ILE HG12 H 0.688 . 1 1203 125 125 ILE HG13 H 1.386 . 1 1204 125 125 ILE HG2 H 0.865 . 1 1205 125 125 ILE HD1 H 0.680 . 1 1206 125 125 ILE C C 174.303 . 1 1207 125 125 ILE CA C 61.100 . 1 1208 125 125 ILE CB C 39.943 . 1 1209 125 125 ILE CG1 C 26.978 . 1 1210 125 125 ILE CG2 C 16.792 . 1 1211 125 125 ILE CD1 C 14.416 . 1 1212 125 125 ILE N N 124.337 . 1 1213 126 126 ASP H H 9.397 . 1 1214 126 126 ASP HA H 5.115 . 1 1215 126 126 ASP HB2 H 3.130 . 2 1216 126 126 ASP HB3 H 2.625 . 2 1217 126 126 ASP C C 176.766 . 1 1218 126 126 ASP CA C 51.847 . 1 1219 126 126 ASP CB C 41.100 . 1 1220 126 126 ASP N N 127.113 . 1 1221 127 127 ALA H H 9.696 . 1 1222 127 127 ALA HA H 4.316 . 1 1223 127 127 ALA HB H 1.534 . 1 1224 127 127 ALA C C 178.530 . 1 1225 127 127 ALA CA C 53.847 . 1 1226 127 127 ALA CB C 18.792 . 1 1227 127 127 ALA N N 131.178 . 1 1228 128 128 SER H H 8.373 . 1 1229 128 128 SER HA H 4.224 . 1 1230 128 128 SER HB2 H 3.970 . 2 1231 128 128 SER C C 175.000 . 1 1232 128 128 SER CA C 61.246 . 1 1233 128 128 SER CB C 63.310 . 1 1234 128 128 SER N N 112.064 . 1 1235 129 129 GLU H H 7.267 . 1 1236 129 129 GLU HA H 4.400 . 1 1237 129 129 GLU HB2 H 2.106 . 2 1238 129 129 GLU HB3 H 1.848 . 2 1239 129 129 GLU HG2 H 2.250 . 2 1240 129 129 GLU HG3 H 2.125 . 2 1241 129 129 GLU C C 175.947 . 1 1242 129 129 GLU CA C 56.415 . 1 1243 129 129 GLU CB C 31.730 . 1 1244 129 129 GLU CG C 35.790 . 1 1245 129 129 GLU N N 119.468 . 1 1246 130 130 ASN H H 8.072 . 1 1247 130 130 ASN HA H 5.166 . 1 1248 130 130 ASN HB2 H 2.694 . 2 1249 130 130 ASN HB3 H 2.571 . 2 1250 130 130 ASN HD21 H 6.440 . 2 1251 130 130 ASN HD22 H 8.280 . 2 1252 130 130 ASN C C 172.000 . 1 1253 130 130 ASN CA C 50.223 . 1 1254 130 130 ASN CB C 39.666 . 1 1255 130 130 ASN N N 115.968 . 1 1256 130 130 ASN ND2 N 112.170 . 1 1257 131 131 PRO HA H 4.550 . 1 1258 131 131 PRO HB2 H 2.350 . 2 1259 131 131 PRO HB3 H 2.110 . 2 1260 131 131 PRO HG2 H 2.038 . 2 1261 131 131 PRO HG3 H 1.958 . 2 1262 131 131 PRO HD2 H 3.868 . 2 1263 131 131 PRO HD3 H 3.515 . 2 1264 131 131 PRO C C 176.400 . 1 1265 131 131 PRO CA C 63.500 . 1 1266 131 131 PRO CB C 32.300 . 1 1267 131 131 PRO CG C 26.700 . 1 1268 131 131 PRO CD C 50.530 . 1 1269 132 132 GLU H H 7.690 . 1 1270 132 132 GLU HA H 5.020 . 1 1271 132 132 GLU HB2 H 2.005 . 2 1272 132 132 GLU HB3 H 2.050 . 2 1273 132 132 GLU HG2 H 2.144 . 2 1274 132 132 GLU HG3 H 2.256 . 2 1275 132 132 GLU C C 174.200 . 1 1276 132 132 GLU CA C 53.000 . 1 1277 132 132 GLU CB C 29.700 . 1 1278 132 132 GLU CG C 35.800 . 1 1279 132 132 GLU N N 119.000 . 1 1280 133 133 PRO HA H 4.000 . 1 1281 133 133 PRO HB2 H 2.330 . 2 1282 133 133 PRO HB3 H 1.707 . 2 1283 133 133 PRO HG2 H 1.940 . 2 1284 133 133 PRO HG3 H 1.905 . 2 1285 133 133 PRO HD2 H 4.015 . 2 1286 133 133 PRO HD3 H 3.604 . 2 1287 133 133 PRO C C 177.391 . 1 1288 133 133 PRO CA C 65.469 . 1 1289 133 133 PRO CB C 32.145 . 1 1290 133 133 PRO CG C 27.220 . 1 1291 133 133 PRO CD C 50.539 . 1 1292 134 134 GLU H H 10.707 . 1 1293 134 134 GLU HA H 5.220 . 1 1294 134 134 GLU HB2 H 1.982 . 2 1295 134 134 GLU HB3 H 1.711 . 2 1296 134 134 GLU HG2 H 2.270 . 2 1297 134 134 GLU HG3 H 2.129 . 2 1298 134 134 GLU C C 178.385 . 1 1299 134 134 GLU CA C 57.592 . 1 1300 134 134 GLU CB C 26.590 . 1 1301 134 134 GLU CG C 35.620 . 1 1302 134 134 GLU N N 122.846 . 1 1303 135 135 THR H H 8.168 . 1 1304 135 135 THR HA H 4.182 . 1 1305 135 135 THR HB H 4.291 . 1 1306 135 135 THR HG2 H 1.393 . 1 1307 135 135 THR C C 176.460 . 1 1308 135 135 THR CA C 64.752 . 1 1309 135 135 THR CB C 69.248 . 1 1310 135 135 THR CG2 C 22.142 . 1 1311 135 135 THR N N 113.016 . 1 1312 136 136 GLU H H 7.680 . 1 1313 136 136 GLU HA H 4.564 . 1 1314 136 136 GLU HB2 H 2.066 . 2 1315 136 136 GLU HB3 H 1.931 . 2 1316 136 136 GLU HG2 H 2.178 . 2 1317 136 136 GLU C C 178.370 . 1 1318 136 136 GLU CA C 56.913 . 1 1319 136 136 GLU CB C 32.100 . 1 1320 136 136 GLU CG C 37.000 . 1 1321 136 136 GLU N N 118.978 . 1 1322 137 137 SER H H 8.824 . 1 1323 137 137 SER HA H 4.033 . 1 1324 137 137 SER HB2 H 3.800 . 2 1325 137 137 SER HB3 H 3.365 . 2 1326 137 137 SER C C 175.670 . 1 1327 137 137 SER CA C 62.330 . 1 1328 137 137 SER CB C 61.380 . 1 1329 137 137 SER N N 116.501 . 1 1330 138 138 ASN H H 8.564 . 1 1331 138 138 ASN HA H 4.591 . 1 1332 138 138 ASN HB2 H 3.187 . 2 1333 138 138 ASN HB3 H 2.735 . 2 1334 138 138 ASN HD21 H 6.950 . 2 1335 138 138 ASN HD22 H 7.202 . 2 1336 138 138 ASN C C 175.700 . 1 1337 138 138 ASN CA C 57.486 . 1 1338 138 138 ASN CB C 34.253 . 1 1339 138 138 ASN N N 123.517 . 1 1340 138 138 ASN ND2 N 105.650 . 1 1341 139 139 PRO HA H 4.455 . 1 1342 139 139 PRO HB2 H 2.366 . 2 1343 139 139 PRO HB3 H 1.957 . 2 1344 139 139 PRO HG2 H 2.080 . 2 1345 139 139 PRO HG3 H 2.216 . 2 1346 139 139 PRO HD2 H 3.600 . 2 1347 139 139 PRO HD3 H 3.483 . 2 1348 139 139 PRO C C 180.033 . 1 1349 139 139 PRO CA C 65.610 . 1 1350 139 139 PRO CB C 30.536 . 1 1351 139 139 PRO CG C 28.350 . 1 1352 139 139 PRO CD C 50.105 . 1 1353 140 140 TRP H H 7.057 . 1 1354 140 140 TRP HA H 4.333 . 1 1355 140 140 TRP HB2 H 3.308 . 2 1356 140 140 TRP HB3 H 3.650 . 2 1357 140 140 TRP HD1 H 7.340 . 1 1358 140 140 TRP HE1 H 9.695 . 1 1359 140 140 TRP HZ2 H 7.570 . 1 1360 140 140 TRP C C 179.195 . 1 1361 140 140 TRP CA C 62.180 . 1 1362 140 140 TRP CB C 30.751 . 1 1363 140 140 TRP CD1 C 124.000 . 1 1364 140 140 TRP N N 119.700 . 1 1365 140 140 TRP NE1 N 128.000 . 1 1366 141 141 VAL H H 9.629 . 1 1367 141 141 VAL HA H 3.736 . 1 1368 141 141 VAL HB H 2.408 . 1 1369 141 141 VAL HG1 H 1.328 . 2 1370 141 141 VAL HG2 H 1.123 . 2 1371 141 141 VAL C C 177.416 . 1 1372 141 141 VAL CA C 66.716 . 1 1373 141 141 VAL CB C 31.432 . 1 1374 141 141 VAL CG1 C 24.000 . 1 1375 141 141 VAL CG2 C 22.391 . 1 1376 141 141 VAL N N 122.879 . 1 1377 142 142 GLU H H 8.551 . 1 1378 142 142 GLU HA H 3.732 . 1 1379 142 142 GLU HB2 H 2.150 . 2 1380 142 142 GLU HB3 H 2.045 . 2 1381 142 142 GLU HG2 H 2.320 . 2 1382 142 142 GLU HG3 H 2.220 . 2 1383 142 142 GLU C C 178.800 . 1 1384 142 142 GLU CA C 59.332 . 1 1385 142 142 GLU CB C 29.560 . 1 1386 142 142 GLU CG C 36.267 . 1 1387 142 142 GLU N N 119.965 . 1 1388 143 143 GLN H H 7.380 . 1 1389 143 143 GLN HA H 4.290 . 1 1390 143 143 GLN HB2 H 3.170 . 2 1391 143 143 GLN HE22 H 7.348 . 2 1392 143 143 GLN C C 177.840 . 1 1393 143 143 GLN CA C 59.363 . 1 1394 143 143 GLN CB C 29.362 . 1 1395 143 143 GLN N N 115.364 . 1 1396 144 144 TRP H H 9.215 . 1 1397 144 144 TRP HA H 3.334 . 1 1398 144 144 TRP HB2 H 2.790 . 2 1399 144 144 TRP HB3 H 1.940 . 2 1400 144 144 TRP HD1 H 6.390 . 1 1401 144 144 TRP HE1 H 9.258 . 1 1402 144 144 TRP HZ2 H 7.137 . 1 1403 144 144 TRP C C 178.200 . 1 1404 144 144 TRP CA C 62.960 . 1 1405 144 144 TRP CB C 28.525 . 1 1406 144 144 TRP CD1 C 123.630 . 1 1407 144 144 TRP N N 126.680 . 1 1408 144 144 TRP NE1 N 127.214 . 1 1409 145 145 GLY H H 8.834 . 1 1410 145 145 GLY HA2 H 3.172 . 2 1411 145 145 GLY HA3 H 4.605 . 2 1412 145 145 GLY C C 177.391 . 1 1413 145 145 GLY CA C 46.760 . 1 1414 145 145 GLY N N 100.130 . 1 1415 146 146 THR H H 7.594 . 1 1416 146 146 THR HA H 4.319 . 1 1417 146 146 THR HB H 4.252 . 1 1418 146 146 THR HG2 H 1.360 . 1 1419 146 146 THR C C 175.574 . 1 1420 146 146 THR CA C 63.260 . 1 1421 146 146 THR CB C 69.660 . 1 1422 146 146 THR CG2 C 21.276 . 1 1423 146 146 THR N N 110.831 . 1 1424 147 147 LEU H H 7.458 . 1 1425 147 147 LEU HA H 4.058 . 1 1426 147 147 LEU HB2 H 1.111 . 2 1427 147 147 LEU HB3 H 1.400 . 2 1428 147 147 LEU HG H 0.564 . 1 1429 147 147 LEU HD1 H 0.496 . 2 1430 147 147 LEU HD2 H 1.238 . 2 1431 147 147 LEU C C 177.176 . 1 1432 147 147 LEU CA C 54.314 . 1 1433 147 147 LEU CB C 41.228 . 1 1434 147 147 LEU CG C 24.981 . 1 1435 147 147 LEU CD1 C 21.114 . 1 1436 147 147 LEU CD2 C 25.230 . 1 1437 147 147 LEU N N 120.678 . 1 1438 148 148 LEU H H 6.482 . 1 1439 148 148 LEU HA H 3.718 . 1 1440 148 148 LEU HB2 H 1.002 . 2 1441 148 148 LEU HB3 H 0.045 . 2 1442 148 148 LEU HG H -0.665 . 1 1443 148 148 LEU HD1 H -0.938 . 2 1444 148 148 LEU HD2 H 0.865 . 2 1445 148 148 LEU C C 175.570 . 1 1446 148 148 LEU CA C 53.951 . 1 1447 148 148 LEU CB C 39.600 . 1 1448 148 148 LEU CG C 24.702 . 1 1449 148 148 LEU CD1 C 19.687 . 1 1450 148 148 LEU CD2 C 24.900 . 1 1451 148 148 LEU N N 117.062 . 1 1452 149 149 SER H H 7.503 . 1 1453 149 149 SER HA H 4.299 . 1 1454 149 149 SER HB3 H 3.815 . 2 1455 149 149 SER C C 179.000 . 1 1456 149 149 SER CA C 59.827 . 1 1457 149 149 SER CB C 64.999 . 1 1458 149 149 SER N N 120.890 . 1 stop_ save_