data_19151 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; apo_YqcA ; _BMRB_accession_number 19151 _BMRB_flat_file_name bmr19151.str _Entry_type original _Submission_date 2013-04-09 _Accession_date 2013-04-09 _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 Hu Yunfei . . 3 Ye Qian . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 760 "13C chemical shifts" 587 "15N chemical shifts" 138 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-08-15 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 19152 '1H, 13C and 15N resonance assignments of the apo and holo states of flavodoxin protein YqcA from Escherichia coli' stop_ _Original_release_date 2013-08-15 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 'apo YqcA' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'apo YqcA' $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 . _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 HIS 144 TRP 145 GLY 146 THR 147 LEU 148 LEU 149 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-14 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 18154 entity 100.00 149 99.33 99.33 1.50e-102 BMRB 19152 holo_YqcA 100.00 149 99.33 99.33 1.50e-102 BMRB 25013 YqcA 100.00 149 99.33 99.33 1.50e-102 BMRB 25014 YqcA 100.00 149 99.33 99.33 1.50e-102 PDB 2M6R Apo_yqca 100.00 149 100.00 100.00 1.02e-103 PDB 2M6S Holo_yqca 100.00 149 100.00 100.00 1.02e-103 DBJ BAB37073 "hypothetical protein [Escherichia coli O157:H7 str. Sakai]" 100.00 149 99.33 99.33 1.50e-102 DBJ BAE76862 "predicted flavoprotein [Escherichia coli str. K12 substr. W3110]" 100.00 149 99.33 99.33 1.50e-102 DBJ BAG78574 "conserved hypothetical protein [Escherichia coli SE11]" 100.00 149 98.66 99.33 7.91e-102 DBJ BAI27051 "predicted flavoprotein [Escherichia coli O26:H11 str. 11368]" 100.00 149 98.66 99.33 7.91e-102 DBJ BAI32080 "predicted flavoprotein [Escherichia coli O103:H2 str. 12009]" 100.00 149 99.33 99.33 1.50e-102 EMBL CAP77223 "Uncharacterized protein yqcA [Escherichia coli LF82]" 100.00 149 97.99 99.33 1.04e-102 EMBL CAQ33114 "predicted flavoprotein [Escherichia coli BL21(DE3)]" 100.00 149 100.00 100.00 1.02e-103 EMBL CAQ99718 "putative flavoprotein [Escherichia coli IAI1]" 100.00 149 98.66 99.33 7.91e-102 EMBL CAR04300 "putative flavoprotein [Escherichia coli S88]" 100.00 149 99.33 100.00 1.62e-103 EMBL CAR09403 "putative flavoprotein [Escherichia coli ED1a]" 100.00 149 99.33 100.00 1.62e-103 GB AAB40440 "corresponds to hypothetical protein from E. carotovora PIR Accession Number S45107; ORF_f150 [Escherichia coli str. K-12 substr" 100.00 149 99.33 99.33 1.50e-102 GB AAC75832 "short-chain flavodoxin, FMN-binding [Escherichia coli str. K-12 substr. MG1655]" 100.00 149 99.33 99.33 1.50e-102 GB AAG57904 "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" 100.00 149 99.33 99.33 1.50e-102 GB AAN44291 "conserved hypothetical protein [Shigella flexneri 2a str. 301]" 100.00 149 99.33 99.33 1.50e-102 GB AAN81803 "Hypothetical protein yqcA [Escherichia coli CFT073]" 100.00 149 99.33 100.00 1.62e-103 REF NP_311677 "flavodoxin [Escherichia coli O157:H7 str. Sakai]" 100.00 149 99.33 99.33 1.50e-102 REF NP_417270 "short-chain flavodoxin, FMN-binding [Escherichia coli str. K-12 substr. MG1655]" 100.00 149 99.33 99.33 1.50e-102 REF NP_708584 "flavodoxin [Shigella flexneri 2a str. 301]" 100.00 149 99.33 99.33 1.50e-102 REF WP_000229279 "flavodoxin [Escherichia coli]" 100.00 149 97.99 98.66 6.64e-102 REF WP_000807726 "flavodoxin [Escherichia coli]" 100.00 149 98.66 99.33 5.05e-102 SP P65367 "RecName: Full=Uncharacterized protein YqcA" 100.00 149 99.33 99.33 1.50e-102 SP P65368 "RecName: Full=Uncharacterized protein YqcA" 100.00 149 99.33 99.33 1.50e-102 SP P65369 "RecName: Full=Uncharacterized protein YqcA" 100.00 149 99.33 99.33 1.50e-102 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 BL21(DE3) 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 20 mM 'natural abundance' 'sodium chloride' 30 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 20 mM 'natural abundance' 'sodium chloride' 30 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version v2.1 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 v9 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 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_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 298 . K pH 7.0 . pH pressure 1 . atm 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 H 1 'methyl protons' ppm 0 internal direct . . . 1.00000000 DSS C 13 'methyl protons' ppm 0 internal indirect . . . 0.25145 DSS N 15 'methyl protons' ppm 0 internal indirect . . . 0.10133 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 'apo YqcA' _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 . . 2 2 2 ALA HB H 1.018 . . 3 2 2 ALA C C 173.315 . . 4 2 2 ALA CA C 51.580 . . 5 2 2 ALA CB C 20.223 . . 6 3 3 GLU H H 8.696 . . 7 3 3 GLU HA H 5.274 . . 8 3 3 GLU HB2 H 2.225 . . 9 3 3 GLU HB3 H 2.200 . . 10 3 3 GLU HG2 H 2.399 . . 11 3 3 GLU HG3 H 2.341 . . 12 3 3 GLU C C 174.545 . . 13 3 3 GLU CA C 55.850 . . 14 3 3 GLU CB C 31.720 . . 15 3 3 GLU CG C 37.168 . . 16 3 3 GLU N N 121.874 . . 17 4 4 ILE H H 8.860 . . 18 4 4 ILE HA H 5.109 . . 19 4 4 ILE HB H 1.478 . . 20 4 4 ILE HG12 H 0.650 . . 21 4 4 ILE HG13 H 1.245 . . 22 4 4 ILE HG2 H 0.789 . . 23 4 4 ILE HD1 H 0.455 . . 24 4 4 ILE C C 175.463 . . 25 4 4 ILE CA C 59.833 . . 26 4 4 ILE CB C 43.670 . . 27 4 4 ILE CG1 C 28.000 . . 28 4 4 ILE CG2 C 18.900 . . 29 4 4 ILE CD1 C 18.500 . . 30 4 4 ILE N N 120.672 . . 31 5 5 GLY H H 8.469 . . 32 5 5 GLY HA2 H 4.386 . . 33 5 5 GLY HA3 H 2.189 . . 34 5 5 GLY C C 171.260 . . 35 5 5 GLY CA C 43.820 . . 36 5 5 GLY N N 119.310 . . 37 6 6 ILE H H 9.056 . . 38 6 6 ILE HA H 5.190 . . 39 6 6 ILE HB H 1.699 . . 40 6 6 ILE HG12 H 0.773 . . 41 6 6 ILE HG13 H 1.415 . . 42 6 6 ILE HG2 H 0.723 . . 43 6 6 ILE HD1 H 0.632 . . 44 6 6 ILE C C 173.901 . . 45 6 6 ILE CA C 60.000 . . 46 6 6 ILE CB C 38.000 . . 47 6 6 ILE CG1 C 26.950 . . 48 6 6 ILE CG2 C 17.000 . . 49 6 6 ILE CD1 C 13.837 . . 50 6 6 ILE N N 126.915 . . 51 7 7 PHE H H 8.960 . . 52 7 7 PHE HA H 4.512 . . 53 7 7 PHE HB2 H 2.820 . . 54 7 7 PHE HD1 H 7.130 . . 55 7 7 PHE HE1 H 6.613 . . 56 7 7 PHE C C 174.230 . . 57 7 7 PHE CA C 58.410 . . 58 7 7 PHE CB C 41.728 . . 59 7 7 PHE CD1 C 132.098 . . 60 7 7 PHE CE1 C 130.690 . . 61 7 7 PHE N N 127.354 . . 62 8 8 VAL H H 8.581 . . 63 8 8 VAL HA H 5.060 . . 64 8 8 VAL HB H 1.945 . . 65 8 8 VAL HG1 H 0.700 . . 66 8 8 VAL HG2 H 0.704 . . 67 8 8 VAL C C 175.450 . . 68 8 8 VAL CA C 61.200 . . 69 8 8 VAL CB C 34.437 . . 70 8 8 VAL CG1 C 23.000 . . 71 8 8 VAL CG2 C 21.690 . . 72 8 8 VAL N N 127.270 . . 73 9 9 GLY H H 9.393 . . 74 9 9 GLY HA2 H 3.760 . . 75 9 9 GLY HA3 H 4.554 . . 76 9 9 GLY C C 173.150 . . 77 9 9 GLY CA C 45.000 . . 78 9 9 GLY N N 115.000 . . 79 12 12 TYR HA H 4.695 . . 80 12 12 TYR HB2 H 3.351 . . 81 12 12 TYR HB3 H 3.107 . . 82 12 12 TYR HD1 H 7.230 . . 83 12 12 TYR HE1 H 6.900 . . 84 12 12 TYR C C 176.560 . . 85 12 12 TYR CA C 57.750 . . 86 12 12 TYR CB C 38.000 . . 87 12 12 TYR CD1 C 133.036 . . 88 12 12 TYR CE1 C 118.270 . . 89 13 13 GLY H H 8.500 . . 90 13 13 GLY HA2 H 3.770 . . 91 13 13 GLY HA3 H 4.810 . . 92 13 13 GLY C C 175.930 . . 93 13 13 GLY CA C 46.000 . . 94 13 13 GLY N N 109.870 . . 95 17 17 LEU HA H 4.230 . . 96 17 17 LEU HB2 H 1.870 . . 97 17 17 LEU HB3 H 1.740 . . 98 17 17 LEU HG H 1.613 . . 99 17 17 LEU HD1 H 0.986 . . 100 17 17 LEU HD2 H 0.911 . . 101 17 17 LEU C C 179.210 . . 102 17 17 LEU CA C 58.400 . . 103 17 17 LEU CB C 41.300 . . 104 17 17 LEU CG C 27.450 . . 105 17 17 LEU CD1 C 24.730 . . 106 17 17 LEU CD2 C 24.830 . . 107 18 18 VAL H H 7.645 . . 108 18 18 VAL HA H 3.323 . . 109 18 18 VAL HB H 2.080 . . 110 18 18 VAL HG1 H 0.970 . . 111 18 18 VAL HG2 H 0.771 . . 112 18 18 VAL C C 178.460 . . 113 18 18 VAL CA C 66.866 . . 114 18 18 VAL CB C 31.460 . . 115 18 18 VAL CG1 C 22.683 . . 116 18 18 VAL CG2 C 20.882 . . 117 18 18 VAL N N 117.231 . . 118 19 19 ALA H H 8.010 . . 119 19 19 ALA HA H 3.816 . . 120 19 19 ALA HB H 1.411 . . 121 19 19 ALA C C 178.180 . . 122 19 19 ALA CA C 55.576 . . 123 19 19 ALA CB C 20.000 . . 124 19 19 ALA N N 121.820 . . 125 20 20 GLU H H 8.700 . . 126 20 20 GLU HA H 4.016 . . 127 20 20 GLU HB2 H 2.229 . . 128 20 20 GLU HB3 H 2.030 . . 129 20 20 GLU HG2 H 2.532 . . 130 20 20 GLU HG3 H 2.206 . . 131 20 20 GLU C C 180.950 . . 132 20 20 GLU CA C 59.666 . . 133 20 20 GLU CB C 29.300 . . 134 20 20 GLU CG C 36.731 . . 135 20 20 GLU N N 118.960 . . 136 21 21 GLU H H 8.632 . . 137 21 21 GLU HA H 4.044 . . 138 21 21 GLU HB2 H 2.744 . . 139 21 21 GLU HB3 H 1.981 . . 140 21 21 GLU HG2 H 2.200 . . 141 21 21 GLU HG3 H 2.380 . . 142 21 21 GLU C C 179.419 . . 143 21 21 GLU CA C 59.310 . . 144 21 21 GLU CB C 29.561 . . 145 21 21 GLU CG C 37.150 . . 146 21 21 GLU N N 121.371 . . 147 22 22 ALA H H 8.182 . . 148 22 22 ALA HA H 4.058 . . 149 22 22 ALA HB H 1.411 . . 150 22 22 ALA C C 178.823 . . 151 22 22 ALA CA C 54.677 . . 152 22 22 ALA CB C 17.643 . . 153 22 22 ALA N N 121.329 . . 154 23 23 GLU H H 8.387 . . 155 23 23 GLU HA H 3.404 . . 156 23 23 GLU HB2 H 2.373 . . 157 23 23 GLU HB3 H 1.760 . . 158 23 23 GLU HG2 H 2.080 . . 159 23 23 GLU HG3 H 1.983 . . 160 23 23 GLU C C 178.375 . . 161 23 23 GLU CA C 60.308 . . 162 23 23 GLU CB C 28.930 . . 163 23 23 GLU CG C 35.158 . . 164 23 23 GLU N N 119.035 . . 165 24 24 ALA H H 7.535 . . 166 24 24 ALA HA H 4.030 . . 167 24 24 ALA HB H 1.530 . . 168 24 24 ALA C C 181.132 . . 169 24 24 ALA CA C 55.487 . . 170 24 24 ALA CB C 18.000 . . 171 24 24 ALA N N 122.207 . . 172 25 25 ILE H H 7.800 . . 173 25 25 ILE HA H 3.664 . . 174 25 25 ILE HB H 1.792 . . 175 25 25 ILE HG12 H 1.766 . . 176 25 25 ILE HG13 H 1.057 . . 177 25 25 ILE HG2 H 0.827 . . 178 25 25 ILE HD1 H 0.865 . . 179 25 25 ILE C C 178.419 . . 180 25 25 ILE CA C 65.108 . . 181 25 25 ILE CB C 38.963 . . 182 25 25 ILE CG1 C 29.728 . . 183 25 25 ILE CG2 C 16.893 . . 184 25 25 ILE CD1 C 14.360 . . 185 25 25 ILE N N 121.059 . . 186 26 26 LEU H H 8.509 . . 187 26 26 LEU HA H 4.176 . . 188 26 26 LEU HB2 H 1.739 . . 189 26 26 LEU HB3 H 1.246 . . 190 26 26 LEU HG H 0.797 . . 191 26 26 LEU HD1 H 0.952 . . 192 26 26 LEU HD2 H 1.835 . . 193 26 26 LEU C C 179.863 . . 194 26 26 LEU CA C 57.946 . . 195 26 26 LEU CB C 41.140 . . 196 26 26 LEU CG C 25.492 . . 197 26 26 LEU CD1 C 22.150 . . 198 26 26 LEU CD2 C 27.000 . . 199 26 26 LEU N N 119.307 . . 200 27 27 THR H H 8.796 . . 201 27 27 THR HA H 4.524 . . 202 27 27 THR HB H 4.264 . . 203 27 27 THR HG2 H 1.342 . . 204 27 27 THR C C 179.027 . . 205 27 27 THR CA C 66.000 . . 206 27 27 THR CB C 68.600 . . 207 27 27 THR CG2 C 21.750 . . 208 27 27 THR N N 117.830 . . 209 28 28 ALA H H 7.832 . . 210 28 28 ALA HA H 4.205 . . 211 28 28 ALA HB H 1.554 . . 212 28 28 ALA C C 179.360 . . 213 28 28 ALA CA C 55.000 . . 214 28 28 ALA CB C 17.650 . . 215 28 28 ALA N N 126.313 . . 216 29 29 GLN H H 7.353 . . 217 29 29 GLN HA H 4.127 . . 218 29 29 GLN HB2 H 2.250 . . 219 29 29 GLN HB3 H 1.950 . . 220 29 29 GLN HG2 H 2.255 . . 221 29 29 GLN HG3 H 2.775 . . 222 29 29 GLN HE21 H 6.925 . . 223 29 29 GLN HE22 H 6.970 . . 224 29 29 GLN C C 176.547 . . 225 29 29 GLN CA C 56.563 . . 226 29 29 GLN CB C 29.410 . . 227 29 29 GLN CG C 34.000 . . 228 29 29 GLN N N 115.527 . . 229 29 29 GLN NE2 N 106.700 . . 230 30 30 GLY H H 7.923 . . 231 30 30 GLY HA2 H 4.180 . . 232 30 30 GLY HA3 H 3.649 . . 233 30 30 GLY C C 174.785 . . 234 30 30 GLY CA C 44.500 . . 235 30 30 GLY N N 105.961 . . 236 31 31 HIS H H 7.558 . . 237 31 31 HIS HA H 4.835 . . 238 31 31 HIS HB2 H 2.939 . . 239 31 31 HIS HB3 H 2.491 . . 240 31 31 HIS HD2 H 7.040 . . 241 31 31 HIS C C 174.665 . . 242 31 31 HIS CA C 55.842 . . 243 31 31 HIS CB C 32.000 . . 244 31 31 HIS CD2 C 118.270 . . 245 31 31 HIS N N 119.471 . . 246 32 32 LYS H H 8.665 . . 247 32 32 LYS HA H 4.723 . . 248 32 32 LYS HB2 H 1.954 . . 249 32 32 LYS HB3 H 1.810 . . 250 32 32 LYS HG2 H 1.460 . . 251 32 32 LYS HG3 H 1.460 . . 252 32 32 LYS HD2 H 1.694 . . 253 32 32 LYS HE3 H 2.979 . . 254 32 32 LYS C C 174.466 . . 255 32 32 LYS CA C 54.865 . . 256 32 32 LYS CB C 32.960 . . 257 32 32 LYS CG C 24.729 . . 258 32 32 LYS CD C 29.206 . . 259 32 32 LYS CE C 42.288 . . 260 32 32 LYS N N 121.854 . . 261 33 33 ALA H H 8.837 . . 262 33 33 ALA HA H 5.818 . . 263 33 33 ALA HB H 1.191 . . 264 33 33 ALA C C 175.567 . . 265 33 33 ALA CA C 49.976 . . 266 33 33 ALA CB C 22.297 . . 267 33 33 ALA N N 130.188 . . 268 34 34 THR H H 7.826 . . 269 34 34 THR HA H 4.359 . . 270 34 34 THR HB H 3.731 . . 271 34 34 THR HG2 H 0.573 . . 272 34 34 THR C C 171.315 . . 273 34 34 THR CA C 61.840 . . 274 34 34 THR CB C 71.800 . . 275 34 34 THR CG2 C 21.895 . . 276 34 34 THR N N 117.164 . . 277 35 35 VAL H H 8.496 . . 278 35 35 VAL HA H 4.183 . . 279 35 35 VAL HB H 1.791 . . 280 35 35 VAL HG1 H 0.702 . . 281 35 35 VAL HG2 H 0.633 . . 282 35 35 VAL C C 174.675 . . 283 35 35 VAL CA C 61.928 . . 284 35 35 VAL CB C 32.650 . . 285 35 35 VAL CG1 C 23.000 . . 286 35 35 VAL CG2 C 21.880 . . 287 35 35 VAL N N 126.650 . . 288 36 36 PHE H H 9.164 . . 289 36 36 PHE HA H 4.551 . . 290 36 36 PHE HB2 H 2.829 . . 291 36 36 PHE HB3 H 2.455 . . 292 36 36 PHE HD1 H 6.470 . . 293 36 36 PHE HE1 H 7.059 . . 294 36 36 PHE C C 174.347 . . 295 36 36 PHE CA C 57.482 . . 296 36 36 PHE CB C 40.165 . . 297 36 36 PHE CD1 C 132.560 . . 298 36 36 PHE CE1 C 130.450 . . 299 36 36 PHE N N 127.630 . . 300 37 37 GLU H H 8.455 . . 301 37 37 GLU HA H 4.470 . . 302 37 37 GLU HB2 H 1.944 . . 303 37 37 GLU HB3 H 1.861 . . 304 37 37 GLU HG2 H 2.072 . . 305 37 37 GLU HG3 H 2.140 . . 306 37 37 GLU C C 175.954 . . 307 37 37 GLU CA C 55.719 . . 308 37 37 GLU CB C 31.460 . . 309 37 37 GLU CG C 36.969 . . 310 37 37 GLU N N 123.516 . . 311 38 38 ASP H H 9.602 . . 312 38 38 ASP HA H 4.833 . . 313 38 38 ASP HB2 H 2.814 . . 314 38 38 ASP HB3 H 2.724 . . 315 38 38 ASP C C 173.920 . . 316 38 38 ASP CA C 54.477 . . 317 38 38 ASP CB C 40.604 . . 318 38 38 ASP N N 120.395 . . 319 39 39 PRO HA H 4.680 . . 320 39 39 PRO HB2 H 2.580 . . 321 39 39 PRO HB3 H 2.278 . . 322 39 39 PRO HG2 H 2.430 . . 323 39 39 PRO HG3 H 2.196 . . 324 39 39 PRO HD2 H 3.960 . . 325 39 39 PRO C C 176.274 . . 326 39 39 PRO CA C 62.984 . . 327 39 39 PRO CB C 34.400 . . 328 39 39 PRO CG C 28.700 . . 329 39 39 PRO CD C 50.400 . . 330 40 40 GLU H H 9.178 . . 331 40 40 GLU HA H 4.728 . . 332 40 40 GLU HB2 H 2.286 . . 333 40 40 GLU HB3 H 1.928 . . 334 40 40 GLU HG2 H 2.340 . . 335 40 40 GLU HG3 H 2.407 . . 336 40 40 GLU C C 177.827 . . 337 40 40 GLU CA C 53.970 . . 338 40 40 GLU CB C 33.400 . . 339 40 40 GLU CG C 36.479 . . 340 40 40 GLU N N 119.026 . . 341 41 41 LEU H H 9.160 . . 342 41 41 LEU HA H 3.894 . . 343 41 41 LEU HB2 H 1.880 . . 344 41 41 LEU HB3 H 1.356 . . 345 41 41 LEU HG H 0.740 . . 346 41 41 LEU HD1 H 1.555 . . 347 41 41 LEU HD2 H 0.570 . . 348 41 41 LEU C C 178.730 . . 349 41 41 LEU CA C 58.407 . . 350 41 41 LEU CB C 41.653 . . 351 41 41 LEU CG C 25.700 . . 352 41 41 LEU CD1 C 26.630 . . 353 41 41 LEU CD2 C 23.386 . . 354 41 41 LEU N N 123.708 . . 355 42 42 SER H H 8.415 . . 356 42 42 SER HA H 4.010 . . 357 42 42 SER HB2 H 3.950 . . 358 42 42 SER HB3 H 3.880 . . 359 42 42 SER C C 176.300 . . 360 42 42 SER CA C 61.600 . . 361 42 42 SER CB C 62.140 . . 362 42 42 SER N N 110.500 . . 363 43 43 ASP H H 7.690 . . 364 43 43 ASP HA H 4.457 . . 365 43 43 ASP HB2 H 2.926 . . 366 43 43 ASP HB3 H 1.980 . . 367 43 43 ASP C C 176.150 . . 368 43 43 ASP CA C 56.750 . . 369 43 43 ASP CB C 42.700 . . 370 43 43 ASP N N 119.770 . . 371 44 44 TRP H H 7.464 . . 372 44 44 TRP HA H 4.210 . . 373 44 44 TRP HB2 H 3.386 . . 374 44 44 TRP HB3 H 2.710 . . 375 44 44 TRP HD1 H 6.410 . . 376 44 44 TRP HE3 H 10.815 . . 377 44 44 TRP HZ2 H 7.070 . . 378 44 44 TRP HH2 H 6.630 . . 379 44 44 TRP C C 177.150 . . 380 44 44 TRP CA C 59.387 . . 381 44 44 TRP CB C 30.310 . . 382 44 44 TRP CD1 C 125.770 . . 383 44 44 TRP CZ2 C 113.350 . . 384 44 44 TRP N N 118.500 . . 385 44 44 TRP NE1 N 129.350 . . 386 45 45 LEU H H 7.550 . . 387 45 45 LEU HA H 4.175 . . 388 45 45 LEU HB2 H 1.968 . . 389 45 45 LEU HB3 H 1.557 . . 390 45 45 LEU HG H 2.050 . . 391 45 45 LEU HD1 H 0.920 . . 392 45 45 LEU HD2 H 0.950 . . 393 45 45 LEU C C 176.300 . . 394 45 45 LEU CA C 59.560 . . 395 45 45 LEU CB C 39.220 . . 396 45 45 LEU CG C 26.400 . . 397 45 45 LEU CD1 C 23.000 . . 398 45 45 LEU CD2 C 25.183 . . 399 45 45 LEU N N 114.100 . . 400 46 46 PRO HA H 4.380 . . 401 46 46 PRO HB2 H 2.220 . . 402 46 46 PRO HB3 H 1.206 . . 403 46 46 PRO HG2 H 2.164 . . 404 46 46 PRO HG3 H 1.835 . . 405 46 46 PRO HD2 H 3.746 . . 406 46 46 PRO HD3 H 3.471 . . 407 46 46 PRO C C 176.799 . . 408 46 46 PRO CA C 65.287 . . 409 46 46 PRO CB C 31.600 . . 410 46 46 PRO CG C 27.923 . . 411 46 46 PRO CD C 51.700 . . 412 47 47 TYR H H 8.291 . . 413 47 47 TYR HA H 4.120 . . 414 47 47 TYR HB2 H 3.159 . . 415 47 47 TYR HB3 H 2.286 . . 416 47 47 TYR HD2 H 7.225 . . 417 47 47 TYR HE2 H 6.920 . . 418 47 47 TYR C C 175.730 . . 419 47 47 TYR CA C 59.200 . . 420 47 47 TYR CB C 38.016 . . 421 47 47 TYR CD2 C 133.740 . . 422 47 47 TYR CE2 C 118.300 . . 423 47 47 TYR N N 113.790 . . 424 48 48 GLN H H 7.300 . . 425 48 48 GLN HA H 3.885 . . 426 48 48 GLN HB2 H 2.216 . . 427 48 48 GLN HB3 H 2.080 . . 428 48 48 GLN HG2 H 2.652 . . 429 48 48 GLN HG3 H 2.571 . . 430 48 48 GLN HE21 H 7.118 . . 431 48 48 GLN HE22 H 7.500 . . 432 48 48 GLN C C 174.381 . . 433 48 48 GLN CA C 59.826 . . 434 48 48 GLN CB C 31.000 . . 435 48 48 GLN CG C 35.477 . . 436 48 48 GLN N N 116.524 . . 437 48 48 GLN NE2 N 111.080 . . 438 49 49 ASP H H 7.854 . . 439 49 49 ASP HA H 4.687 . . 440 49 49 ASP HB2 H 2.750 . . 441 49 49 ASP HB3 H 2.506 . . 442 49 49 ASP C C 176.307 . . 443 49 49 ASP CA C 51.735 . . 444 49 49 ASP CB C 40.200 . . 445 49 49 ASP N N 114.657 . . 446 50 50 LYS H H 7.833 . . 447 50 50 LYS HA H 4.590 . . 448 50 50 LYS HB2 H 2.726 . . 449 50 50 LYS HB3 H 1.791 . . 450 50 50 LYS HG2 H 1.533 . . 451 50 50 LYS HG3 H 1.382 . . 452 50 50 LYS HD2 H 1.400 . . 453 50 50 LYS HD3 H 1.735 . . 454 50 50 LYS HE2 H 2.927 . . 455 50 50 LYS C C 172.964 . . 456 50 50 LYS CA C 54.693 . . 457 50 50 LYS CB C 33.500 . . 458 50 50 LYS CG C 25.235 . . 459 50 50 LYS CD C 29.700 . . 460 50 50 LYS CE C 42.700 . . 461 50 50 LYS N N 123.514 . . 462 51 51 TYR H H 7.745 . . 463 51 51 TYR HA H 6.055 . . 464 51 51 TYR HB2 H 3.160 . . 465 51 51 TYR HB3 H 2.612 . . 466 51 51 TYR HD1 H 6.950 . . 467 51 51 TYR HE1 H 6.650 . . 468 51 51 TYR C C 175.875 . . 469 51 51 TYR CA C 56.421 . . 470 51 51 TYR CB C 42.477 . . 471 51 51 TYR CD1 C 134.207 . . 472 51 51 TYR CE1 C 118.270 . . 473 51 51 TYR N N 118.375 . . 474 52 52 VAL H H 8.673 . . 475 52 52 VAL HA H 5.500 . . 476 52 52 VAL HB H 1.875 . . 477 52 52 VAL HG1 H 0.331 . . 478 52 52 VAL HG2 H 0.647 . . 479 52 52 VAL C C 173.910 . . 480 52 52 VAL CA C 58.696 . . 481 52 52 VAL CB C 36.492 . . 482 52 52 VAL CG1 C 22.490 . . 483 52 52 VAL CG2 C 20.200 . . 484 52 52 VAL N N 112.527 . . 485 53 53 LEU H H 9.137 . . 486 53 53 LEU HA H 4.900 . . 487 53 53 LEU HB2 H 1.546 . . 488 53 53 LEU HB3 H 1.044 . . 489 53 53 LEU HG H 0.990 . . 490 53 53 LEU HD1 H 0.360 . . 491 53 53 LEU HD2 H 0.066 . . 492 53 53 LEU C C 175.070 . . 493 53 53 LEU CA C 52.566 . . 494 53 53 LEU CB C 45.230 . . 495 53 53 LEU CG C 27.036 . . 496 53 53 LEU CD1 C 24.497 . . 497 53 53 LEU CD2 C 21.355 . . 498 53 53 LEU N N 124.294 . . 499 54 54 VAL H H 8.619 . . 500 54 54 VAL HA H 4.510 . . 501 54 54 VAL HB H 1.863 . . 502 54 54 VAL HG1 H 0.702 . . 503 54 54 VAL HG2 H 0.127 . . 504 54 54 VAL C C 174.030 . . 505 54 54 VAL CA C 61.825 . . 506 54 54 VAL CB C 32.691 . . 507 54 54 VAL CG1 C 20.600 . . 508 54 54 VAL CG2 C 19.427 . . 509 54 54 VAL N N 127.850 . . 510 55 55 VAL H H 8.578 . . 511 55 55 VAL HA H 5.085 . . 512 55 55 VAL HB H 1.874 . . 513 55 55 VAL HG1 H 0.735 . . 514 55 55 VAL HG2 H 0.579 . . 515 55 55 VAL C C 174.942 . . 516 55 55 VAL CA C 60.069 . . 517 55 55 VAL CB C 33.222 . . 518 55 55 VAL CG1 C 21.625 . . 519 55 55 VAL CG2 C 20.480 . . 520 55 55 VAL N N 127.181 . . 521 56 56 THR H H 8.710 . . 522 56 56 THR HA H 5.590 . . 523 56 56 THR HB H 3.580 . . 524 56 56 THR HG2 H 0.920 . . 525 56 56 THR C C 172.640 . . 526 56 56 THR CA C 59.359 . . 527 56 56 THR CB C 70.715 . . 528 56 56 THR CG2 C 18.700 . . 529 56 56 THR N N 117.420 . . 530 57 57 SER H H 8.075 . . 531 57 57 SER HA H 5.250 . . 532 57 57 SER HB2 H 4.030 . . 533 57 57 SER CA C 57.730 . . 534 57 57 SER CB C 64.500 . . 535 58 58 THR H H 7.900 . . 536 59 59 THR H H 9.230 . . 537 59 59 THR HA H 4.900 . . 538 59 59 THR HB H 4.030 . . 539 59 59 THR HG2 H 1.300 . . 540 59 59 THR CA C 61.200 . . 541 59 59 THR CB C 73.400 . . 542 59 59 THR CG2 C 22.250 . . 543 60 60 GLY HA2 H 3.680 . . 544 60 60 GLY CA C 46.500 . . 545 61 61 GLN HA H 4.406 . . 546 61 61 GLN HB2 H 2.238 . . 547 61 61 GLN HB3 H 1.780 . . 548 61 61 GLN HG2 H 2.313 . . 549 61 61 GLN HE21 H 6.818 . . 550 61 61 GLN HE22 H 7.580 . . 551 61 61 GLN C C 175.950 . . 552 61 61 GLN CA C 55.350 . . 553 61 61 GLN CB C 29.160 . . 554 61 61 GLN CG C 34.354 . . 555 61 61 GLN NE2 N 112.440 . . 556 62 62 GLY H H 8.073 . . 557 62 62 GLY HA2 H 4.374 . . 558 62 62 GLY HA3 H 3.608 . . 559 62 62 GLY C C 173.134 . . 560 62 62 GLY CA C 45.784 . . 561 62 62 GLY N N 108.420 . . 562 63 63 ASP H H 7.248 . . 563 63 63 ASP HA H 4.780 . . 564 63 63 ASP HB2 H 2.772 . . 565 63 63 ASP HB3 H 2.385 . . 566 63 63 ASP CA C 53.296 . . 567 63 63 ASP CB C 42.740 . . 568 63 63 ASP N N 118.400 . . 569 64 64 LEU H H 8.445 . . 570 64 64 LEU HA H 4.400 . . 571 64 64 LEU HB2 H 1.161 . . 572 64 64 LEU HB3 H 1.412 . . 573 64 64 LEU HG H 1.410 . . 574 64 64 LEU HD1 H 0.865 . . 575 64 64 LEU HD2 H 0.200 . . 576 64 64 LEU CA C 53.150 . . 577 64 64 LEU CB C 41.687 . . 578 64 64 LEU CG C 27.100 . . 579 64 64 LEU CD1 C 23.860 . . 580 64 64 LEU CD2 C 25.565 . . 581 65 65 PRO HA H 4.293 . . 582 65 65 PRO HB2 H 1.920 . . 583 65 65 PRO HB3 H 2.050 . . 584 65 65 PRO HG2 H 1.722 . . 585 65 65 PRO HG3 H 1.610 . . 586 65 65 PRO HD2 H 3.940 . . 587 65 65 PRO HD3 H 3.415 . . 588 65 65 PRO CA C 62.344 . . 589 65 65 PRO CB C 32.480 . . 590 65 65 PRO CG C 27.800 . . 591 65 65 PRO CD C 50.530 . . 592 66 66 ASP H H 8.605 . . 593 66 66 ASP HA H 4.260 . . 594 66 66 ASP HB2 H 2.650 . . 595 66 66 ASP HB3 H 2.686 . . 596 66 66 ASP CA C 57.630 . . 597 66 66 ASP CB C 40.800 . . 598 66 66 ASP N N 121.200 . . 599 67 67 SER HA H 4.292 . . 600 67 67 SER HB2 H 4.480 . . 601 67 67 SER HB3 H 4.100 . . 602 67 67 SER C C 175.650 . . 603 67 67 SER CA C 60.500 . . 604 67 67 SER CB C 63.530 . . 605 68 68 ILE H H 7.870 . . 606 68 68 ILE HA H 5.110 . . 607 68 68 ILE HB H 1.746 . . 608 68 68 ILE HG12 H 1.960 . . 609 68 68 ILE HG13 H 1.796 . . 610 68 68 ILE HG2 H 1.180 . . 611 68 68 ILE HD1 H 0.715 . . 612 68 68 ILE C C 174.713 . . 613 68 68 ILE CA C 60.400 . . 614 68 68 ILE CB C 43.240 . . 615 68 68 ILE CG1 C 33.000 . . 616 68 68 ILE CG2 C 16.900 . . 617 68 68 ILE CD1 C 13.700 . . 618 68 68 ILE N N 120.550 . . 619 69 69 VAL H H 7.428 . . 620 69 69 VAL HA H 3.745 . . 621 69 69 VAL HB H 2.250 . . 622 69 69 VAL HG1 H 0.960 . . 623 69 69 VAL HG2 H 0.990 . . 624 69 69 VAL C C 174.500 . . 625 69 69 VAL CA C 68.550 . . 626 69 69 VAL CB C 30.130 . . 627 69 69 VAL CG1 C 21.400 . . 628 69 69 VAL CG2 C 24.740 . . 629 69 69 VAL N N 125.740 . . 630 70 70 PRO HA H 4.292 . . 631 70 70 PRO HB2 H 2.343 . . 632 70 70 PRO HB3 H 1.995 . . 633 70 70 PRO HG2 H 2.230 . . 634 70 70 PRO HG3 H 1.930 . . 635 70 70 PRO HD2 H 3.635 . . 636 70 70 PRO HD3 H 3.875 . . 637 70 70 PRO C C 180.820 . . 638 70 70 PRO CA C 66.470 . . 639 70 70 PRO CB C 30.657 . . 640 70 70 PRO CG C 28.740 . . 641 70 70 PRO CD C 50.125 . . 642 71 71 LEU H H 7.918 . . 643 71 71 LEU HA H 3.845 . . 644 71 71 LEU HB2 H 2.053 . . 645 71 71 LEU HB3 H 1.356 . . 646 71 71 LEU HG H 1.120 . . 647 71 71 LEU HD1 H 0.483 . . 648 71 71 LEU HD2 H 0.907 . . 649 71 71 LEU C C 176.489 . . 650 71 71 LEU CA C 58.207 . . 651 71 71 LEU CB C 41.486 . . 652 71 71 LEU CG C 27.000 . . 653 71 71 LEU CD1 C 22.408 . . 654 71 71 LEU CD2 C 26.000 . . 655 71 71 LEU N N 119.467 . . 656 72 72 PHE H H 7.903 . . 657 72 72 PHE HA H 3.145 . . 658 72 72 PHE HB2 H 2.556 . . 659 72 72 PHE HB3 H 3.056 . . 660 72 72 PHE HD2 H 6.150 . . 661 72 72 PHE HE2 H 6.834 . . 662 72 72 PHE C C 175.968 . . 663 72 72 PHE CA C 61.821 . . 664 72 72 PHE CB C 39.547 . . 665 72 72 PHE CD2 C 131.160 . . 666 72 72 PHE CE2 C 131.400 . . 667 72 72 PHE N N 119.361 . . 668 73 73 GLN H H 9.042 . . 669 73 73 GLN HA H 3.527 . . 670 73 73 GLN HB2 H 2.073 . . 671 73 73 GLN HB3 H 1.984 . . 672 73 73 GLN HG2 H 2.517 . . 673 73 73 GLN HG3 H 2.354 . . 674 73 73 GLN HE21 H 6.750 . . 675 73 73 GLN HE22 H 7.693 . . 676 73 73 GLN C C 177.871 . . 677 73 73 GLN CA C 58.140 . . 678 73 73 GLN CB C 28.147 . . 679 73 73 GLN CG C 33.900 . . 680 73 73 GLN N N 116.100 . . 681 73 73 GLN NE2 N 112.880 . . 682 74 74 GLY H H 8.045 . . 683 74 74 GLY HA2 H 3.909 . . 684 74 74 GLY HA3 H 3.486 . . 685 74 74 GLY C C 175.894 . . 686 74 74 GLY CA C 47.280 . . 687 74 74 GLY N N 107.110 . . 688 75 75 ILE H H 8.174 . . 689 75 75 ILE HA H 3.050 . . 690 75 75 ILE HB H 1.136 . . 691 75 75 ILE HG12 H 0.962 . . 692 75 75 ILE HG13 H -0.527 . . 693 75 75 ILE HG2 H 0.265 . . 694 75 75 ILE HD1 H -0.787 . . 695 75 75 ILE C C 178.622 . . 696 75 75 ILE CA C 65.257 . . 697 75 75 ILE CB C 37.968 . . 698 75 75 ILE CG1 C 28.350 . . 699 75 75 ILE CG2 C 17.250 . . 700 75 75 ILE CD1 C 12.950 . . 701 75 75 ILE N N 123.629 . . 702 76 76 LYS H H 7.600 . . 703 76 76 LYS HA H 3.305 . . 704 76 76 LYS HB2 H 1.110 . . 705 76 76 LYS HB3 H 1.562 . . 706 76 76 LYS HG2 H 1.060 . . 707 76 76 LYS HG3 H 1.166 . . 708 76 76 LYS HD3 H 1.402 . . 709 76 76 LYS HE2 H 2.871 . . 710 76 76 LYS HE3 H 2.804 . . 711 76 76 LYS C C 177.909 . . 712 76 76 LYS CA C 59.705 . . 713 76 76 LYS CB C 32.350 . . 714 76 76 LYS CG C 24.310 . . 715 76 76 LYS CD C 29.480 . . 716 76 76 LYS CE C 41.750 . . 717 76 76 LYS N N 119.363 . . 718 77 77 ASP H H 8.482 . . 719 77 77 ASP HA H 4.482 . . 720 77 77 ASP HB2 H 2.655 . . 721 77 77 ASP HB3 H 2.544 . . 722 77 77 ASP C C 178.825 . . 723 77 77 ASP CA C 56.280 . . 724 77 77 ASP CB C 41.190 . . 725 77 77 ASP N N 115.190 . . 726 78 78 SER H H 8.273 . . 727 78 78 SER HA H 4.728 . . 728 78 78 SER HB2 H 3.896 . . 729 78 78 SER HB3 H 3.812 . . 730 78 78 SER C C 174.556 . . 731 78 78 SER CA C 60.045 . . 732 78 78 SER CB C 64.643 . . 733 78 78 SER N N 112.576 . . 734 79 79 LEU H H 7.025 . . 735 79 79 LEU HA H 4.815 . . 736 79 79 LEU HB2 H 2.190 . . 737 79 79 LEU HB3 H 1.381 . . 738 79 79 LEU HG H 0.770 . . 739 79 79 LEU HD1 H 0.820 . . 740 79 79 LEU HD2 H 1.483 . . 741 79 79 LEU C C 176.251 . . 742 79 79 LEU CA C 53.960 . . 743 79 79 LEU CB C 39.196 . . 744 79 79 LEU CG C 26.270 . . 745 79 79 LEU CD1 C 22.320 . . 746 79 79 LEU CD2 C 26.900 . . 747 79 79 LEU N N 120.833 . . 748 80 80 GLY H H 7.499 . . 749 80 80 GLY HA2 H 4.499 . . 750 80 80 GLY HA3 H 3.445 . . 751 80 80 GLY C C 173.623 . . 752 80 80 GLY CA C 46.229 . . 753 80 80 GLY N N 108.861 . . 754 81 81 PHE H H 8.018 . . 755 81 81 PHE HA H 5.060 . . 756 81 81 PHE HB2 H 2.990 . . 757 81 81 PHE HD1 H 7.321 . . 758 81 81 PHE HE1 H 7.440 . . 759 81 81 PHE C C 174.411 . . 760 81 81 PHE CA C 57.211 . . 761 81 81 PHE CB C 40.620 . . 762 81 81 PHE CD1 C 131.860 . . 763 81 81 PHE CE1 C 131.630 . . 764 81 81 PHE N N 121.441 . . 765 82 82 GLN H H 9.588 . . 766 82 82 GLN HA H 4.890 . . 767 82 82 GLN HB2 H 2.435 . . 768 82 82 GLN HB3 H 1.792 . . 769 82 82 GLN HG2 H 2.366 . . 770 82 82 GLN HG3 H 2.230 . . 771 82 82 GLN C C 172.700 . . 772 82 82 GLN CA C 54.177 . . 773 82 82 GLN CB C 32.600 . . 774 82 82 GLN CG C 35.100 . . 775 82 82 GLN N N 126.480 . . 776 83 83 PRO HA H 4.373 . . 777 83 83 PRO HB2 H 1.782 . . 778 83 83 PRO HB3 H 1.654 . . 779 83 83 PRO HG2 H 1.503 . . 780 83 83 PRO HD2 H 1.630 . . 781 83 83 PRO HD3 H 3.056 . . 782 83 83 PRO C C 178.163 . . 783 83 83 PRO CA C 63.691 . . 784 83 83 PRO CB C 31.865 . . 785 83 83 PRO CG C 27.000 . . 786 83 83 PRO CD C 49.000 . . 787 84 84 ASN H H 8.578 . . 788 84 84 ASN HA H 4.769 . . 789 84 84 ASN HB2 H 3.008 . . 790 84 84 ASN HB3 H 2.696 . . 791 84 84 ASN HD21 H 6.918 . . 792 84 84 ASN HD22 H 7.612 . . 793 84 84 ASN C C 173.332 . . 794 84 84 ASN CA C 52.560 . . 795 84 84 ASN CB C 39.260 . . 796 84 84 ASN N N 116.900 . . 797 84 84 ASN ND2 N 114.100 . . 798 85 85 LEU H H 7.240 . . 799 85 85 LEU HA H 4.046 . . 800 85 85 LEU HB2 H 2.027 . . 801 85 85 LEU HB3 H 1.670 . . 802 85 85 LEU HG H 1.300 . . 803 85 85 LEU HD1 H 0.782 . . 804 85 85 LEU HD2 H 0.935 . . 805 85 85 LEU C C 175.880 . . 806 85 85 LEU CA C 55.842 . . 807 85 85 LEU CB C 42.300 . . 808 85 85 LEU CG C 27.530 . . 809 85 85 LEU CD1 C 24.243 . . 810 85 85 LEU CD2 C 27.000 . . 811 85 85 LEU N N 124.380 . . 812 86 86 ARG H H 7.732 . . 813 86 86 ARG HA H 5.794 . . 814 86 86 ARG HB2 H 1.561 . . 815 86 86 ARG HB3 H 1.330 . . 816 86 86 ARG HG2 H 1.616 . . 817 86 86 ARG HG3 H 1.386 . . 818 86 86 ARG HD2 H 2.930 . . 819 86 86 ARG HE H 6.670 . . 820 86 86 ARG C C 175.554 . . 821 86 86 ARG CA C 54.442 . . 822 86 86 ARG CB C 32.873 . . 823 86 86 ARG CG C 28.058 . . 824 86 86 ARG CD C 42.277 . . 825 86 86 ARG N N 128.715 . . 826 86 86 ARG NE N 83.850 . . 827 87 87 TYR H H 8.783 . . 828 87 87 TYR HA H 6.765 . . 829 87 87 TYR HB2 H 3.008 . . 830 87 87 TYR HB3 H 2.585 . . 831 87 87 TYR HD2 H 6.690 . . 832 87 87 TYR HE2 H 7.210 . . 833 87 87 TYR C C 172.931 . . 834 87 87 TYR CA C 55.261 . . 835 87 87 TYR CB C 44.938 . . 836 87 87 TYR CD2 C 133.214 . . 837 87 87 TYR CE2 C 114.050 . . 838 87 87 TYR N N 117.420 . . 839 88 88 GLY H H 8.905 . . 840 88 88 GLY HA2 H 5.058 . . 841 88 88 GLY HA3 H 3.527 . . 842 88 88 GLY C C 172.621 . . 843 88 88 GLY CA C 43.861 . . 844 88 88 GLY N N 107.765 . . 845 89 89 VAL H H 7.499 . . 846 89 89 VAL HA H 5.001 . . 847 89 89 VAL HB H 1.806 . . 848 89 89 VAL HG1 H 1.090 . . 849 89 89 VAL HG2 H 0.763 . . 850 89 89 VAL C C 172.939 . . 851 89 89 VAL CA C 60.999 . . 852 89 89 VAL CB C 36.398 . . 853 89 89 VAL CG1 C 21.200 . . 854 89 89 VAL CG2 C 20.464 . . 855 89 89 VAL N N 118.180 . . 856 90 90 ILE H H 8.810 . . 857 90 90 ILE HA H 4.127 . . 858 90 90 ILE HB H 1.316 . . 859 90 90 ILE HG12 H 0.740 . . 860 90 90 ILE HG13 H -0.323 . . 861 90 90 ILE HG2 H 0.428 . . 862 90 90 ILE HD1 H 0.428 . . 863 90 90 ILE C C 173.099 . . 864 90 90 ILE CA C 60.488 . . 865 90 90 ILE CB C 40.398 . . 866 90 90 ILE CG1 C 25.490 . . 867 90 90 ILE CG2 C 16.952 . . 868 90 90 ILE CD1 C 13.690 . . 869 90 90 ILE N N 125.000 . . 870 91 91 ALA H H 9.253 . . 871 91 91 ALA HA H 5.326 . . 872 91 91 ALA HB H 1.112 . . 873 91 91 ALA C C 174.000 . . 874 91 91 ALA CA C 49.000 . . 875 91 91 ALA CB C 22.100 . . 876 91 91 ALA N N 129.036 . . 877 92 92 LEU HA H 4.931 . . 878 92 92 LEU HB2 H 1.890 . . 879 92 92 LEU HB3 H 1.423 . . 880 92 92 LEU HG H 1.590 . . 881 92 92 LEU HD1 H 0.710 . . 882 92 92 LEU HD2 H 0.770 . . 883 92 92 LEU C C 177.366 . . 884 92 92 LEU CA C 54.917 . . 885 92 92 LEU CB C 43.400 . . 886 92 92 LEU CG C 30.460 . . 887 92 92 LEU CD1 C 25.200 . . 888 92 92 LEU CD2 C 26.630 . . 889 93 93 GLY H H 8.687 . . 890 93 93 GLY HA2 H 3.916 . . 891 93 93 GLY HA3 H 4.587 . . 892 93 93 GLY C C 172.029 . . 893 93 93 GLY CA C 45.730 . . 894 93 93 GLY N N 110.663 . . 895 94 94 ASP H H 8.129 . . 896 94 94 ASP HA H 5.260 . . 897 94 94 ASP HB2 H 2.926 . . 898 94 94 ASP HB3 H 2.628 . . 899 94 94 ASP C C 176.978 . . 900 94 94 ASP CA C 53.607 . . 901 94 94 ASP CB C 43.000 . . 902 94 94 ASP N N 119.304 . . 903 95 95 SER H H 8.878 . . 904 95 95 SER HA H 3.895 . . 905 95 95 SER HB2 H 3.681 . . 906 95 95 SER HB3 H 2.789 . . 907 95 95 SER C C 175.243 . . 908 95 95 SER CA C 60.183 . . 909 95 95 SER CB C 61.700 . . 910 95 95 SER N N 123.897 . . 911 96 96 SER H H 9.124 . . 912 96 96 SER HA H 4.209 . . 913 96 96 SER HB2 H 3.596 . . 914 96 96 SER HB3 H 3.512 . . 915 96 96 SER C C 173.900 . . 916 96 96 SER CA C 60.197 . . 917 96 96 SER CB C 63.000 . . 918 96 96 SER N N 119.248 . . 919 97 97 TYR H H 7.664 . . 920 97 97 TYR HA H 4.888 . . 921 97 97 TYR HB2 H 3.430 . . 922 97 97 TYR HB3 H 3.113 . . 923 97 97 TYR HD1 H 7.200 . . 924 97 97 TYR HE1 H 6.832 . . 925 97 97 TYR C C 175.972 . . 926 97 97 TYR CA C 55.750 . . 927 97 97 TYR CB C 39.820 . . 928 97 97 TYR CD1 C 133.500 . . 929 97 97 TYR CE1 C 118.270 . . 930 97 97 TYR N N 120.889 . . 931 98 98 VAL H H 7.970 . . 932 98 98 VAL HA H 4.060 . . 933 98 98 VAL HB H 2.130 . . 934 98 98 VAL HG1 H 0.960 . . 935 98 98 VAL HG2 H 0.980 . . 936 98 98 VAL C C 175.969 . . 937 98 98 VAL CA C 62.840 . . 938 98 98 VAL CB C 32.600 . . 939 98 98 VAL CG1 C 19.766 . . 940 98 98 VAL CG2 C 20.961 . . 941 98 98 VAL N N 116.952 . . 942 99 99 ASN H H 8.296 . . 943 99 99 ASN HA H 4.511 . . 944 99 99 ASN HB2 H 2.927 . . 945 99 99 ASN HB3 H 2.845 . . 946 99 99 ASN HD21 H 6.870 . . 947 99 99 ASN HD22 H 7.480 . . 948 99 99 ASN C C 174.329 . . 949 99 99 ASN CA C 53.031 . . 950 99 99 ASN CB C 37.238 . . 951 99 99 ASN N N 118.156 . . 952 99 99 ASN ND2 N 113.090 . . 953 100 100 PHE H H 7.855 . . 954 100 100 PHE HA H 4.415 . . 955 100 100 PHE HB2 H 3.309 . . 956 100 100 PHE HB3 H 2.845 . . 957 100 100 PHE HD2 H 7.089 . . 958 100 100 PHE HE2 H 7.213 . . 959 100 100 PHE C C 174.400 . . 960 100 100 PHE CA C 58.190 . . 961 100 100 PHE CB C 39.679 . . 962 100 100 PHE CD2 C 131.160 . . 963 100 100 PHE CE2 C 131.160 . . 964 100 100 PHE N N 118.649 . . 965 101 101 CYS H H 9.240 . . 966 101 101 CYS HA H 3.585 . . 967 101 101 CYS HB2 H 2.130 . . 968 101 101 CYS HB3 H 2.610 . . 969 101 101 CYS CA C 62.740 . . 970 101 101 CYS CB C 26.000 . . 971 102 102 ASN H H 8.300 . . 972 102 102 ASN HA H 4.220 . . 973 102 102 ASN HB2 H 2.848 . . 974 102 102 ASN HB3 H 2.810 . . 975 102 102 ASN HD21 H 6.912 . . 976 102 102 ASN HD22 H 7.886 . . 977 102 102 ASN CA C 57.200 . . 978 102 102 ASN CB C 38.600 . . 979 102 102 ASN ND2 N 113.800 . . 980 103 103 GLY HA2 H 3.755 . . 981 103 103 GLY HA3 H 3.540 . . 982 103 103 GLY C C 175.690 . . 983 103 103 GLY CA C 47.350 . . 984 104 104 GLY H H 7.108 . . 985 104 104 GLY HA2 H 3.570 . . 986 104 104 GLY HA3 H 3.300 . . 987 104 104 GLY C C 174.570 . . 988 104 104 GLY CA C 47.350 . . 989 104 104 GLY N N 106.150 . . 990 105 105 LYS H H 7.708 . . 991 105 105 LYS HA H 3.937 . . 992 105 105 LYS HB2 H 1.940 . . 993 105 105 LYS HG2 H 1.408 . . 994 105 105 LYS HG3 H 1.355 . . 995 105 105 LYS HD2 H 1.595 . . 996 105 105 LYS HD3 H 1.694 . . 997 105 105 LYS HE2 H 2.927 . . 998 105 105 LYS HE3 H 2.802 . . 999 105 105 LYS C C 179.706 . . 1000 105 105 LYS CA C 60.308 . . 1001 105 105 LYS CB C 31.797 . . 1002 105 105 LYS CG C 25.945 . . 1003 105 105 LYS CD C 29.819 . . 1004 105 105 LYS CE C 42.162 . . 1005 105 105 LYS N N 120.732 . . 1006 106 106 GLN H H 8.738 . . 1007 106 106 GLN HA H 4.142 . . 1008 106 106 GLN HB2 H 2.120 . . 1009 106 106 GLN HB3 H 1.970 . . 1010 106 106 GLN HG2 H 2.310 . . 1011 106 106 GLN HG3 H 2.411 . . 1012 106 106 GLN HE21 H 6.876 . . 1013 106 106 GLN HE22 H 6.740 . . 1014 106 106 GLN C C 179.418 . . 1015 106 106 GLN CA C 58.875 . . 1016 106 106 GLN CB C 28.759 . . 1017 106 106 GLN CG C 34.247 . . 1018 106 106 GLN N N 119.087 . . 1019 106 106 GLN NE2 N 110.360 . . 1020 107 107 PHE H H 7.922 . . 1021 107 107 PHE HA H 4.250 . . 1022 107 107 PHE HB2 H 3.226 . . 1023 107 107 PHE HB3 H 3.103 . . 1024 107 107 PHE HD2 H 6.691 . . 1025 107 107 PHE HE2 H 6.840 . . 1026 107 107 PHE C C 178.403 . . 1027 107 107 PHE CA C 62.185 . . 1028 107 107 PHE CB C 39.451 . . 1029 107 107 PHE CD2 C 133.000 . . 1030 107 107 PHE CE2 C 131.390 . . 1031 107 107 PHE N N 123.088 . . 1032 108 108 ASP H H 8.305 . . 1033 108 108 ASP HA H 4.374 . . 1034 108 108 ASP HB2 H 3.035 . . 1035 108 108 ASP HB3 H 2.789 . . 1036 108 108 ASP C C 176.973 . . 1037 108 108 ASP CA C 58.429 . . 1038 108 108 ASP CB C 44.123 . . 1039 108 108 ASP CG C 39.722 . . 1040 108 108 ASP N N 117.118 . . 1041 109 109 ALA H H 8.332 . . 1042 109 109 ALA HA H 4.050 . . 1043 109 109 ALA HB H 1.532 . . 1044 109 109 ALA C C 180.430 . . 1045 109 109 ALA CA C 55.196 . . 1046 109 109 ALA CB C 18.107 . . 1047 109 109 ALA N N 118.590 . . 1048 110 110 LEU H H 7.868 . . 1049 110 110 LEU HA H 4.085 . . 1050 110 110 LEU HB2 H 1.834 . . 1051 110 110 LEU HB3 H 1.436 . . 1052 110 110 LEU HG H -0.212 . . 1053 110 110 LEU HD1 H 0.580 . . 1054 110 110 LEU HD2 H 0.928 . . 1055 110 110 LEU C C 177.801 . . 1056 110 110 LEU CA C 57.640 . . 1057 110 110 LEU CB C 41.756 . . 1058 110 110 LEU CG C 26.700 . . 1059 110 110 LEU CD1 C 23.300 . . 1060 110 110 LEU CD2 C 26.890 . . 1061 110 110 LEU N N 120.402 . . 1062 111 111 LEU H H 7.704 . . 1063 111 111 LEU HA H 3.718 . . 1064 111 111 LEU HB2 H 1.340 . . 1065 111 111 LEU HB3 H 0.617 . . 1066 111 111 LEU HG H 1.770 . . 1067 111 111 LEU HD1 H 0.590 . . 1068 111 111 LEU HD2 H 0.265 . . 1069 111 111 LEU C C 179.838 . . 1070 111 111 LEU CA C 57.965 . . 1071 111 111 LEU CB C 38.860 . . 1072 111 111 LEU CG C 25.840 . . 1073 111 111 LEU CD1 C 21.853 . . 1074 111 111 LEU CD2 C 24.215 . . 1075 111 111 LEU N N 116.945 . . 1076 112 112 GLN H H 8.441 . . 1077 112 112 GLN HA H 4.141 . . 1078 112 112 GLN HB2 H 2.338 . . 1079 112 112 GLN HB3 H 2.219 . . 1080 112 112 GLN HG2 H 2.409 . . 1081 112 112 GLN HG3 H 2.700 . . 1082 112 112 GLN HE21 H 7.560 . . 1083 112 112 GLN HE22 H 8.034 . . 1084 112 112 GLN C C 181.218 . . 1085 112 112 GLN CA C 58.966 . . 1086 112 112 GLN CB C 29.260 . . 1087 112 112 GLN CG C 34.693 . . 1088 112 112 GLN N N 118.484 . . 1089 112 112 GLN NE2 N 116.780 . . 1090 113 113 GLU H H 8.305 . . 1091 113 113 GLU HA H 4.181 . . 1092 113 113 GLU HB2 H 2.345 . . 1093 113 113 GLU HG2 H 2.448 . . 1094 113 113 GLU C C 178.001 . . 1095 113 113 GLU CA C 58.985 . . 1096 113 113 GLU CB C 29.270 . . 1097 113 113 GLU CG C 36.507 . . 1098 113 113 GLU N N 122.905 . . 1099 114 114 GLN H H 7.520 . . 1100 114 114 GLN HA H 4.595 . . 1101 114 114 GLN HB2 H 2.330 . . 1102 114 114 GLN HB3 H 1.748 . . 1103 114 114 GLN HG2 H 2.880 . . 1104 114 114 GLN HG3 H 2.176 . . 1105 114 114 GLN HE21 H 6.220 . . 1106 114 114 GLN HE22 H 7.382 . . 1107 114 114 GLN C C 174.538 . . 1108 114 114 GLN CA C 56.417 . . 1109 114 114 GLN CB C 25.830 . . 1110 114 114 GLN CG C 33.260 . . 1111 114 114 GLN N N 117.332 . . 1112 114 114 GLN NE2 N 108.825 . . 1113 115 115 SER H H 7.950 . . 1114 115 115 SER HA H 4.200 . . 1115 115 115 SER HB2 H 4.285 . . 1116 115 115 SER HB3 H 4.316 . . 1117 115 115 SER C C 172.302 . . 1118 115 115 SER CA C 60.400 . . 1119 115 115 SER CB C 61.325 . . 1120 115 115 SER N N 109.100 . . 1121 116 116 ALA H H 7.813 . . 1122 116 116 ALA HA H 4.794 . . 1123 116 116 ALA HB H 1.424 . . 1124 116 116 ALA C C 176.774 . . 1125 116 116 ALA CA C 51.690 . . 1126 116 116 ALA CB C 21.365 . . 1127 116 116 ALA N N 121.059 . . 1128 117 117 GLN H H 8.591 . . 1129 117 117 GLN HA H 4.618 . . 1130 117 117 GLN HB2 H 2.055 . . 1131 117 117 GLN HB3 H 2.038 . . 1132 117 117 GLN HG2 H 2.366 . . 1133 117 117 GLN HG3 H 2.257 . . 1134 117 117 GLN HE21 H 6.873 . . 1135 117 117 GLN HE22 H 7.670 . . 1136 117 117 GLN C C 173.769 . . 1137 117 117 GLN CA C 54.556 . . 1138 117 117 GLN CB C 30.735 . . 1139 117 117 GLN CG C 33.700 . . 1140 117 117 GLN N N 118.000 . . 1141 117 117 GLN NE2 N 112.820 . . 1142 118 118 ARG H H 8.659 . . 1143 118 118 ARG HA H 3.308 . . 1144 118 118 ARG HB2 H 1.627 . . 1145 118 118 ARG HB3 H 1.480 . . 1146 118 118 ARG HG2 H 1.140 . . 1147 118 118 ARG HG3 H 1.535 . . 1148 118 118 ARG HD2 H 3.310 . . 1149 118 118 ARG HD3 H 3.370 . . 1150 118 118 ARG C C 176.758 . . 1151 118 118 ARG CA C 56.186 . . 1152 118 118 ARG CB C 30.310 . . 1153 118 118 ARG CG C 28.459 . . 1154 118 118 ARG CD C 43.500 . . 1155 118 118 ARG N N 127.947 . . 1156 119 119 VAL H H 9.520 . . 1157 119 119 VAL HA H 4.113 . . 1158 119 119 VAL HB H 1.847 . . 1159 119 119 VAL HG1 H 0.935 . . 1160 119 119 VAL HG2 H 0.424 . . 1161 119 119 VAL C C 176.775 . . 1162 119 119 VAL CA C 62.174 . . 1163 119 119 VAL CB C 32.394 . . 1164 119 119 VAL CG1 C 21.833 . . 1165 119 119 VAL CG2 C 21.542 . . 1166 119 119 VAL N N 131.939 . . 1167 120 120 GLY H H 8.755 . . 1168 120 120 GLY HA2 H 4.237 . . 1169 120 120 GLY HA3 H 3.805 . . 1170 120 120 GLY C C 172.757 . . 1171 120 120 GLY CA C 43.898 . . 1172 120 120 GLY N N 116.074 . . 1173 121 121 GLU H H 8.594 . . 1174 121 121 GLU HA H 4.666 . . 1175 121 121 GLU HB2 H 2.192 . . 1176 121 121 GLU HB3 H 1.991 . . 1177 121 121 GLU HG2 H 2.405 . . 1178 121 121 GLU HG3 H 2.362 . . 1179 121 121 GLU C C 177.419 . . 1180 121 121 GLU CA C 54.491 . . 1181 121 121 GLU CB C 31.498 . . 1182 121 121 GLU CG C 36.070 . . 1183 121 121 GLU N N 118.754 . . 1184 122 122 MET H H 8.892 . . 1185 122 122 MET HA H 4.415 . . 1186 122 122 MET HB2 H 1.890 . . 1187 122 122 MET HB3 H 1.920 . . 1188 122 122 MET HG2 H 2.272 . . 1189 122 122 MET HG3 H 2.122 . . 1190 122 122 MET HE H 1.100 . . 1191 122 122 MET C C 175.351 . . 1192 122 122 MET CA C 57.024 . . 1193 122 122 MET CB C 34.210 . . 1194 122 122 MET CG C 30.600 . . 1195 122 122 MET CE C 21.200 . . 1196 122 122 MET N N 122.642 . . 1197 123 123 LEU H H 7.868 . . 1198 123 123 LEU HA H 4.350 . . 1199 123 123 LEU HB2 H -0.350 . . 1200 123 123 LEU HB3 H 0.782 . . 1201 123 123 LEU HG H 0.246 . . 1202 123 123 LEU HD1 H 0.760 . . 1203 123 123 LEU HD2 H 0.950 . . 1204 123 123 LEU C C 173.124 . . 1205 123 123 LEU CA C 53.739 . . 1206 123 123 LEU CB C 41.078 . . 1207 123 123 LEU CG C 26.300 . . 1208 123 123 LEU CD1 C 22.200 . . 1209 123 123 LEU CD2 C 26.490 . . 1210 123 123 LEU N N 129.535 . . 1211 124 124 LEU H H 8.346 . . 1212 124 124 LEU HA H 5.055 . . 1213 124 124 LEU HB2 H 1.820 . . 1214 124 124 LEU HB3 H 1.416 . . 1215 124 124 LEU HG H 1.523 . . 1216 124 124 LEU HD1 H 0.687 . . 1217 124 124 LEU HD2 H 0.874 . . 1218 124 124 LEU C C 176.379 . . 1219 124 124 LEU CA C 53.550 . . 1220 124 124 LEU CB C 41.378 . . 1221 124 124 LEU CG C 27.800 . . 1222 124 124 LEU CD1 C 24.487 . . 1223 124 124 LEU CD2 C 25.900 . . 1224 124 124 LEU N N 127.120 . . 1225 125 125 ILE H H 8.974 . . 1226 125 125 ILE HA H 4.180 . . 1227 125 125 ILE HB H 1.766 . . 1228 125 125 ILE HG12 H 0.688 . . 1229 125 125 ILE HG13 H 1.386 . . 1230 125 125 ILE HG2 H 0.865 . . 1231 125 125 ILE HD1 H 0.680 . . 1232 125 125 ILE C C 174.303 . . 1233 125 125 ILE CA C 61.100 . . 1234 125 125 ILE CB C 39.943 . . 1235 125 125 ILE CG1 C 26.978 . . 1236 125 125 ILE CG2 C 16.792 . . 1237 125 125 ILE CD1 C 14.416 . . 1238 125 125 ILE N N 124.337 . . 1239 126 126 ASP H H 9.397 . . 1240 126 126 ASP HA H 5.115 . . 1241 126 126 ASP HB2 H 3.130 . . 1242 126 126 ASP HB3 H 2.625 . . 1243 126 126 ASP C C 176.766 . . 1244 126 126 ASP CA C 51.847 . . 1245 126 126 ASP CB C 41.100 . . 1246 126 126 ASP N N 127.113 . . 1247 127 127 ALA H H 9.696 . . 1248 127 127 ALA HA H 4.316 . . 1249 127 127 ALA HB H 1.534 . . 1250 127 127 ALA C C 178.530 . . 1251 127 127 ALA CA C 53.847 . . 1252 127 127 ALA CB C 18.792 . . 1253 127 127 ALA N N 131.178 . . 1254 128 128 SER H H 8.373 . . 1255 128 128 SER HA H 4.224 . . 1256 128 128 SER HB2 H 3.970 . . 1257 128 128 SER C C 175.000 . . 1258 128 128 SER CA C 61.246 . . 1259 128 128 SER CB C 63.310 . . 1260 128 128 SER N N 112.064 . . 1261 129 129 GLU H H 7.267 . . 1262 129 129 GLU HA H 4.400 . . 1263 129 129 GLU HB2 H 2.106 . . 1264 129 129 GLU HB3 H 1.848 . . 1265 129 129 GLU HG2 H 2.250 . . 1266 129 129 GLU HG3 H 2.125 . . 1267 129 129 GLU C C 175.947 . . 1268 129 129 GLU CA C 56.415 . . 1269 129 129 GLU CB C 31.730 . . 1270 129 129 GLU CG C 35.790 . . 1271 129 129 GLU N N 119.468 . . 1272 130 130 ASN H H 8.072 . . 1273 130 130 ASN HA H 5.166 . . 1274 130 130 ASN HB2 H 2.694 . . 1275 130 130 ASN HB3 H 2.571 . . 1276 130 130 ASN HD21 H 6.440 . . 1277 130 130 ASN HD22 H 8.280 . . 1278 130 130 ASN C C 172.000 . . 1279 130 130 ASN CA C 50.223 . . 1280 130 130 ASN CB C 39.666 . . 1281 130 130 ASN N N 115.968 . . 1282 130 130 ASN ND2 N 112.170 . . 1283 131 131 PRO HA H 4.550 . . 1284 131 131 PRO HB2 H 2.350 . . 1285 131 131 PRO HB3 H 2.110 . . 1286 131 131 PRO HG2 H 2.038 . . 1287 131 131 PRO HG3 H 1.958 . . 1288 131 131 PRO HD2 H 3.868 . . 1289 131 131 PRO HD3 H 3.515 . . 1290 131 131 PRO C C 176.400 . . 1291 131 131 PRO CA C 63.500 . . 1292 131 131 PRO CB C 32.300 . . 1293 131 131 PRO CG C 26.700 . . 1294 131 131 PRO CD C 50.530 . . 1295 132 132 GLU H H 7.690 . . 1296 132 132 GLU HA H 5.020 . . 1297 132 132 GLU HB2 H 2.005 . . 1298 132 132 GLU HB3 H 2.050 . . 1299 132 132 GLU HG2 H 2.144 . . 1300 132 132 GLU HG3 H 2.256 . . 1301 132 132 GLU C C 174.200 . . 1302 132 132 GLU CA C 53.000 . . 1303 132 132 GLU CB C 29.700 . . 1304 132 132 GLU CG C 35.800 . . 1305 132 132 GLU N N 119.000 . . 1306 133 133 PRO HA H 4.000 . . 1307 133 133 PRO HB2 H 2.330 . . 1308 133 133 PRO HB3 H 1.707 . . 1309 133 133 PRO HG2 H 1.940 . . 1310 133 133 PRO HG3 H 1.905 . . 1311 133 133 PRO HD2 H 4.015 . . 1312 133 133 PRO HD3 H 3.604 . . 1313 133 133 PRO C C 177.391 . . 1314 133 133 PRO CA C 65.469 . . 1315 133 133 PRO CB C 32.145 . . 1316 133 133 PRO CG C 27.220 . . 1317 133 133 PRO CD C 50.539 . . 1318 134 134 GLU H H 10.707 . . 1319 134 134 GLU HA H 5.220 . . 1320 134 134 GLU HB2 H 1.982 . . 1321 134 134 GLU HB3 H 1.711 . . 1322 134 134 GLU HG2 H 2.270 . . 1323 134 134 GLU HG3 H 2.129 . . 1324 134 134 GLU C C 178.385 . . 1325 134 134 GLU CA C 57.592 . . 1326 134 134 GLU CB C 26.590 . . 1327 134 134 GLU CG C 35.620 . . 1328 134 134 GLU N N 122.846 . . 1329 135 135 THR H H 8.168 . . 1330 135 135 THR HA H 4.182 . . 1331 135 135 THR HB H 4.291 . . 1332 135 135 THR HG2 H 1.393 . . 1333 135 135 THR C C 176.460 . . 1334 135 135 THR CA C 64.752 . . 1335 135 135 THR CB C 69.248 . . 1336 135 135 THR CG2 C 22.142 . . 1337 135 135 THR N N 113.016 . . 1338 136 136 GLU H H 7.680 . . 1339 136 136 GLU HA H 4.564 . . 1340 136 136 GLU HB2 H 2.066 . . 1341 136 136 GLU HB3 H 1.931 . . 1342 136 136 GLU HG2 H 2.178 . . 1343 136 136 GLU C C 178.370 . . 1344 136 136 GLU CA C 56.913 . . 1345 136 136 GLU CB C 32.100 . . 1346 136 136 GLU CG C 37.000 . . 1347 136 136 GLU N N 118.978 . . 1348 137 137 SER H H 8.824 . . 1349 137 137 SER HA H 4.033 . . 1350 137 137 SER HB2 H 3.800 . . 1351 137 137 SER HB3 H 3.365 . . 1352 137 137 SER C C 175.670 . . 1353 137 137 SER CA C 62.330 . . 1354 137 137 SER CB C 61.380 . . 1355 137 137 SER N N 116.501 . . 1356 138 138 ASN H H 8.564 . . 1357 138 138 ASN HA H 4.591 . . 1358 138 138 ASN HB2 H 3.187 . . 1359 138 138 ASN HB3 H 2.735 . . 1360 138 138 ASN HD21 H 6.950 . . 1361 138 138 ASN HD22 H 7.202 . . 1362 138 138 ASN C C 175.700 . . 1363 138 138 ASN CA C 57.486 . . 1364 138 138 ASN CB C 34.253 . . 1365 138 138 ASN N N 123.517 . . 1366 138 138 ASN ND2 N 105.650 . . 1367 139 139 PRO HA H 4.455 . . 1368 139 139 PRO HB2 H 2.366 . . 1369 139 139 PRO HB3 H 1.957 . . 1370 139 139 PRO HG2 H 2.080 . . 1371 139 139 PRO HG3 H 2.216 . . 1372 139 139 PRO HD2 H 3.600 . . 1373 139 139 PRO HD3 H 3.483 . . 1374 139 139 PRO C C 180.033 . . 1375 139 139 PRO CA C 65.610 . . 1376 139 139 PRO CB C 30.536 . . 1377 139 139 PRO CG C 28.350 . . 1378 139 139 PRO CD C 50.105 . . 1379 140 140 TRP H H 7.057 . . 1380 140 140 TRP HA H 4.333 . . 1381 140 140 TRP HB2 H 3.308 . . 1382 140 140 TRP HB3 H 3.650 . . 1383 140 140 TRP HD1 H 7.340 . . 1384 140 140 TRP HE3 H 9.695 . . 1385 140 140 TRP HZ3 H 6.620 . . 1386 140 140 TRP C C 179.195 . . 1387 140 140 TRP CA C 62.180 . . 1388 140 140 TRP CB C 30.751 . . 1389 140 140 TRP CD1 C 127.410 . . 1390 140 140 TRP CE3 C 118.975 . . 1391 140 140 TRP CZ3 C 121.550 . . 1392 140 140 TRP N N 119.700 . . 1393 140 140 TRP NE1 N 128.000 . . 1394 141 141 VAL H H 9.629 . . 1395 141 141 VAL HA H 3.736 . . 1396 141 141 VAL HB H 2.408 . . 1397 141 141 VAL HG1 H 1.328 . . 1398 141 141 VAL HG2 H 1.123 . . 1399 141 141 VAL C C 177.416 . . 1400 141 141 VAL CA C 66.716 . . 1401 141 141 VAL CB C 31.432 . . 1402 141 141 VAL CG1 C 24.000 . . 1403 141 141 VAL CG2 C 22.391 . . 1404 141 141 VAL N N 122.879 . . 1405 142 142 GLU H H 8.551 . . 1406 142 142 GLU HA H 3.732 . . 1407 142 142 GLU HB2 H 2.150 . . 1408 142 142 GLU HB3 H 2.045 . . 1409 142 142 GLU HG2 H 2.320 . . 1410 142 142 GLU HG3 H 2.220 . . 1411 142 142 GLU C C 178.800 . . 1412 142 142 GLU CA C 59.332 . . 1413 142 142 GLU CB C 29.560 . . 1414 142 142 GLU CG C 36.267 . . 1415 142 142 GLU N N 119.965 . . 1416 143 143 HIS H H 7.380 . . 1417 143 143 HIS HA H 4.290 . . 1418 143 143 HIS HB2 H 3.170 . . 1419 143 143 HIS C C 177.840 . . 1420 143 143 HIS CA C 59.363 . . 1421 143 143 HIS CB C 29.362 . . 1422 143 143 HIS N N 115.364 . . 1423 144 144 TRP H H 9.215 . . 1424 144 144 TRP HA H 3.334 . . 1425 144 144 TRP HB2 H 2.790 . . 1426 144 144 TRP HB3 H 1.940 . . 1427 144 144 TRP HD1 H 6.390 . . 1428 144 144 TRP HE3 H 9.258 . . 1429 144 144 TRP C C 178.200 . . 1430 144 144 TRP CA C 62.960 . . 1431 144 144 TRP CB C 28.525 . . 1432 144 144 TRP CD1 C 123.630 . . 1433 144 144 TRP CE3 C 117.100 . . 1434 144 144 TRP N N 126.680 . . 1435 144 144 TRP NE1 N 127.214 . . 1436 145 145 GLY H H 8.834 . . 1437 145 145 GLY HA2 H 3.172 . . 1438 145 145 GLY HA3 H 4.605 . . 1439 145 145 GLY C C 177.391 . . 1440 145 145 GLY CA C 46.760 . . 1441 145 145 GLY N N 100.130 . . 1442 146 146 THR H H 7.594 . . 1443 146 146 THR HA H 4.319 . . 1444 146 146 THR HB H 4.252 . . 1445 146 146 THR HG2 H 1.360 . . 1446 146 146 THR C C 175.574 . . 1447 146 146 THR CA C 63.260 . . 1448 146 146 THR CB C 69.660 . . 1449 146 146 THR CG2 C 21.276 . . 1450 146 146 THR N N 110.831 . . 1451 147 147 LEU H H 7.458 . . 1452 147 147 LEU HA H 4.058 . . 1453 147 147 LEU HB2 H 1.111 . . 1454 147 147 LEU HB3 H 1.400 . . 1455 147 147 LEU HG H 0.564 . . 1456 147 147 LEU HD1 H 0.496 . . 1457 147 147 LEU HD2 H 1.238 . . 1458 147 147 LEU C C 177.176 . . 1459 147 147 LEU CA C 54.314 . . 1460 147 147 LEU CB C 41.228 . . 1461 147 147 LEU CG C 24.981 . . 1462 147 147 LEU CD1 C 21.114 . . 1463 147 147 LEU CD2 C 25.230 . . 1464 147 147 LEU N N 120.678 . . 1465 148 148 LEU H H 6.482 . . 1466 148 148 LEU HA H 3.718 . . 1467 148 148 LEU HB2 H 1.002 . . 1468 148 148 LEU HB3 H 0.045 . . 1469 148 148 LEU HG H -0.665 . . 1470 148 148 LEU HD1 H -0.938 . . 1471 148 148 LEU HD2 H 0.865 . . 1472 148 148 LEU C C 175.570 . . 1473 148 148 LEU CA C 53.951 . . 1474 148 148 LEU CB C 39.600 . . 1475 148 148 LEU CG C 24.702 . . 1476 148 148 LEU CD1 C 19.687 . . 1477 148 148 LEU CD2 C 24.900 . . 1478 148 148 LEU N N 117.062 . . 1479 149 149 SER H H 7.503 . . 1480 149 149 SER HA H 4.299 . . 1481 149 149 SER HB3 H 3.815 . . 1482 149 149 SER C C 179.000 . . 1483 149 149 SER CA C 59.827 . . 1484 149 149 SER CB C 64.999 . . 1485 149 149 SER N N 120.890 . . stop_ save_