data_6603 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR assignments of a thioredoxin-like protein ykuV from Bacillus subtilis ; _BMRB_accession_number 6603 _BMRB_flat_file_name bmr6603.str _Entry_type original _Submission_date 2005-04-21 _Accession_date 2005-04-21 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhang Xinxin . . 2 Jin Changwen . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 806 "13C chemical shifts" 599 "15N chemical shifts" 146 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-08-29 original author . stop_ _Original_release_date 2005-08-29 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR Assignment of New Thioredoxin-like Protein YkuV from Bacillus subtilis' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhang Xinxin . . 2 Yu Caifang . . 3 Xia Bin . . 4 Jin Changwen . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 32 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 258 _Page_last 258 _Year 2005 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name ykuV _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label ykuV $ykuV stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ykuV _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ykuV _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 148 _Mol_residue_sequence ; MKLRQPMPELTGEKAWLNGE VTREQLIGEKPTLIHFWSIS CHLCKEAMPQVNEFRDKYQD QLNVVAVHMPRSEDDLDPGK IKETAAEHDITQPIFVDSDH ALTDAFENEYVPAYYVFDKT GQLRHFQAGGSGMKMLEKRV NRVLAETE ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 LEU 4 ARG 5 GLN 6 PRO 7 MET 8 PRO 9 GLU 10 LEU 11 THR 12 GLY 13 GLU 14 LYS 15 ALA 16 TRP 17 LEU 18 ASN 19 GLY 20 GLU 21 VAL 22 THR 23 ARG 24 GLU 25 GLN 26 LEU 27 ILE 28 GLY 29 GLU 30 LYS 31 PRO 32 THR 33 LEU 34 ILE 35 HIS 36 PHE 37 TRP 38 SER 39 ILE 40 SER 41 CYS 42 HIS 43 LEU 44 CYS 45 LYS 46 GLU 47 ALA 48 MET 49 PRO 50 GLN 51 VAL 52 ASN 53 GLU 54 PHE 55 ARG 56 ASP 57 LYS 58 TYR 59 GLN 60 ASP 61 GLN 62 LEU 63 ASN 64 VAL 65 VAL 66 ALA 67 VAL 68 HIS 69 MET 70 PRO 71 ARG 72 SER 73 GLU 74 ASP 75 ASP 76 LEU 77 ASP 78 PRO 79 GLY 80 LYS 81 ILE 82 LYS 83 GLU 84 THR 85 ALA 86 ALA 87 GLU 88 HIS 89 ASP 90 ILE 91 THR 92 GLN 93 PRO 94 ILE 95 PHE 96 VAL 97 ASP 98 SER 99 ASP 100 HIS 101 ALA 102 LEU 103 THR 104 ASP 105 ALA 106 PHE 107 GLU 108 ASN 109 GLU 110 TYR 111 VAL 112 PRO 113 ALA 114 TYR 115 TYR 116 VAL 117 PHE 118 ASP 119 LYS 120 THR 121 GLY 122 GLN 123 LEU 124 ARG 125 HIS 126 PHE 127 GLN 128 ALA 129 GLY 130 GLY 131 SER 132 GLY 133 MET 134 LYS 135 MET 136 LEU 137 GLU 138 LYS 139 ARG 140 VAL 141 ASN 142 ARG 143 VAL 144 LEU 145 ALA 146 GLU 147 THR 148 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 6847 thioredoxin_like_protein 100.00 148 100.00 100.00 9.03e-107 PDB 2B5X "Solution Structure Of A Thioredoxin-Like Protein In The Reduced Form" 100.00 148 100.00 100.00 9.03e-107 PDB 2B5Y "Solution Structure Of A Thioredoxin-Like Protein In The Oxidized Form" 100.00 148 100.00 100.00 9.03e-107 DBJ BAI85034 "hypothetical protein BSNT_07918 [Bacillus subtilis subsp. natto BEST195]" 95.95 142 98.59 99.30 3.25e-100 DBJ BAM52068 "thiol-disulfide isomerase [Synechocystis sp. PCC 6803]" 100.00 148 100.00 100.00 9.03e-107 DBJ BAM57645 "thiol-disulfide isomerase [Bacillus subtilis BEST7003]" 100.00 148 100.00 100.00 9.03e-107 DBJ GAK78539 "thiol-disulfide isomerase [Bacillus subtilis Miyagi-4]" 100.00 148 98.65 99.32 4.09e-105 EMBL CAA10885 "YkuV protein [Bacillus subtilis]" 96.62 153 100.00 100.00 4.52e-103 EMBL CAB13296 "thiol-disulfide isomerase [Bacillus subtilis subsp. subtilis str. 168]" 100.00 148 100.00 100.00 9.03e-107 EMBL CCU57987 "hypothetical protein BSUBE1_1356 [Bacillus subtilis E1]" 100.00 148 97.97 98.65 3.27e-104 EMBL CEI56603 "thiol-disulfide oxidoreductase [Bacillus subtilis]" 100.00 148 100.00 100.00 9.03e-107 EMBL CEJ77009 "thiol-disulfide oxidoreductase [Bacillus sp.]" 100.00 148 100.00 100.00 9.03e-107 GB ADV96441 "thiol-disulfide isomerase [Bacillus subtilis BSn5]" 100.00 148 99.32 99.32 1.73e-105 GB AEP90568 "thiol-disulfide oxidoreductase YkuV [Bacillus subtilis subsp. subtilis str. RO-NN-1]" 100.00 148 98.65 99.32 6.62e-105 GB AFI28096 "thiol-disulfide isomerase [Bacillus sp. JS]" 100.00 152 97.97 98.65 3.28e-104 GB AFQ57357 "Thiol-disulfide isomerase [Bacillus subtilis QB928]" 100.00 148 100.00 100.00 9.03e-107 GB AGA22975 "Hypothetical protein YkuV [Bacillus subtilis subsp. subtilis str. BSP1]" 100.00 148 99.32 99.32 1.73e-105 REF NP_389306 "thiol-disulfide oxidoreductase [Bacillus subtilis subsp. subtilis str. 168]" 100.00 148 100.00 100.00 9.03e-107 REF WP_003245810 "thiol-disulfide oxidoreductase [Bacillus subtilis]" 100.00 148 100.00 100.00 9.03e-107 REF WP_009968922 "thiol-disulfide oxidoreductase [Bacillus subtilis]" 96.62 153 100.00 100.00 4.52e-103 REF WP_014476671 "MULTISPECIES: thiol-disulfide oxidoreductase [Bacillus]" 100.00 148 98.65 99.32 6.62e-105 REF WP_014479665 "hypothetical protein [Bacillus subtilis]" 100.00 148 98.65 99.32 4.09e-105 SP O31699 "RecName: Full=Thiol-disulfide oxidoreductase YkuV [Bacillus subtilis subsp. subtilis str. 168]" 100.00 148 100.00 100.00 9.03e-107 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $ykuV 'Bacillus subtilis' 1423 Eubacteria Metazoa Bacillus subtilis stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $ykuV 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ykuV 1.0 mM '[U-13C; U-15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_800MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_15N-edited_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N-edited HSQC' _Sample_label . save_ save_13C-edited_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-edited HSQC' _Sample_label . save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label . save_ save_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label . save_ save_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label . save_ save_HN(CA)CO_8 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label . save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label . save_ save_3D_HCCH-COSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label . save_ save_CCH-COSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name CCH-COSY _Sample_label . save_ save_3D_HCCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label . save_ save_CCH-TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name CCH-TOCSY _Sample_label . save_ save_3D_15N-edited_TOCSY-HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-edited TOCSY-HSQC' _Sample_label . save_ save_2D_(HB)CB(CGCD)HD_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCD)HD' _Sample_label . save_ save_3D15N-edited_NOESY-HSQC_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D15N-edited NOESY-HSQC' _Sample_label . save_ save_3D_13C-edited_NOESY-HSQC_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-edited NOESY-HSQC' _Sample_label . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.4 0.1 pH temperature 298 0.2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name ykuV _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.010 0.02 1 2 1 1 MET HB2 H 1.969 0.02 2 3 1 1 MET HB3 H 1.888 0.02 2 4 1 1 MET HG2 H 2.537 0.02 2 5 1 1 MET HG3 H 2.503 0.02 2 6 1 1 MET HE H 1.648 0.02 1 7 1 1 MET C C 172.160 0.3 1 8 1 1 MET CA C 55.770 0.3 1 9 1 1 MET CB C 35.150 0.3 1 10 1 1 MET CG C 31.890 0.3 1 11 1 1 MET CE C 17.500 0.3 1 12 2 2 LYS H H 8.260 0.02 1 13 2 2 LYS HA H 4.510 0.02 1 14 2 2 LYS HB2 H 1.620 0.02 2 15 2 2 LYS HB3 H 1.877 0.02 2 16 2 2 LYS HG2 H 1.452 0.02 2 17 2 2 LYS HD2 H 1.687 0.02 2 18 2 2 LYS C C 175.856 0.3 1 19 2 2 LYS CA C 54.680 0.3 1 20 2 2 LYS CB C 34.635 0.3 1 21 2 2 LYS CG C 24.806 0.3 1 22 2 2 LYS CD C 29.334 0.3 1 23 2 2 LYS CE C 42.149 0.3 1 24 2 2 LYS N N 122.854 0.3 1 25 3 3 LEU H H 8.383 0.02 1 26 3 3 LEU HA H 3.757 0.02 1 27 3 3 LEU HB2 H 1.400 0.02 2 28 3 3 LEU HB3 H 1.780 0.02 2 29 3 3 LEU HG H 1.818 0.02 1 30 3 3 LEU HD1 H 0.991 0.02 2 31 3 3 LEU HD2 H 0.777 0.02 2 32 3 3 LEU C C 177.997 0.3 1 33 3 3 LEU CA C 57.220 0.3 1 34 3 3 LEU CB C 41.410 0.3 1 35 3 3 LEU CG C 27.197 0.3 1 36 3 3 LEU CD1 C 25.085 0.3 1 37 3 3 LEU CD2 C 22.415 0.3 1 38 3 3 LEU N N 119.801 0.3 1 39 4 4 ARG H H 9.282 0.02 1 40 4 4 ARG HA H 3.689 0.02 1 41 4 4 ARG HB2 H 2.280 0.02 2 42 4 4 ARG HB3 H 2.069 0.02 2 43 4 4 ARG HG2 H 1.666 0.02 2 44 4 4 ARG HG3 H 1.499 0.02 2 45 4 4 ARG HD2 H 3.199 0.02 2 46 4 4 ARG HD3 H 3.218 0.02 2 47 4 4 ARG C C 174.680 0.3 1 48 4 4 ARG CA C 58.200 0.3 1 49 4 4 ARG CB C 27.040 0.3 1 50 4 4 ARG CG C 28.311 0.3 1 51 4 4 ARG CD C 42.833 0.3 1 52 4 4 ARG N N 114.375 0.3 1 53 5 5 GLN H H 7.760 0.02 1 54 5 5 GLN HA H 4.515 0.02 1 55 5 5 GLN HB2 H 2.050 0.02 2 56 5 5 GLN HB3 H 2.256 0.02 2 57 5 5 GLN HG2 H 2.488 0.02 2 58 5 5 GLN HE21 H 7.161 0.02 2 59 5 5 GLN HE22 H 7.717 0.02 2 60 5 5 GLN C C 176.793 0.3 1 61 5 5 GLN CA C 54.800 0.3 1 62 5 5 GLN CB C 29.720 0.3 1 63 5 5 GLN CG C 34.103 0.3 1 64 5 5 GLN N N 121.524 0.3 1 65 5 5 GLN NE2 N 113.951 0.3 1 66 6 6 PRO HA H 4.822 0.02 1 67 6 6 PRO HB2 H 1.690 0.02 2 68 6 6 PRO HB3 H 2.219 0.02 2 69 6 6 PRO HG2 H 1.919 0.02 1 70 6 6 PRO HG3 H 1.919 0.02 1 71 6 6 PRO HD2 H 3.610 0.02 2 72 6 6 PRO HD3 H 3.838 0.02 2 73 6 6 PRO C C 177.028 0.3 1 74 6 6 PRO CA C 62.000 0.3 1 75 6 6 PRO CB C 32.377 0.3 1 76 6 6 PRO CG C 27.290 0.3 1 77 6 6 PRO CD C 50.308 0.3 1 78 7 7 MET H H 8.580 0.02 1 79 7 7 MET HA H 3.658 0.02 1 80 7 7 MET HB2 H 1.640 0.02 2 81 7 7 MET HB3 H 1.483 0.02 2 82 7 7 MET HG2 H 1.295 0.02 2 83 7 7 MET HG3 H 2.625 0.02 2 84 7 7 MET HE H 1.370 0.02 1 85 7 7 MET C C 174.541 0.3 1 86 7 7 MET CA C 54.770 0.3 1 87 7 7 MET CB C 35.010 0.3 1 88 7 7 MET CG C 28.259 0.3 1 89 7 7 MET CE C 14.976 0.3 1 90 7 7 MET N N 122.343 0.3 1 91 8 8 PRO HA H 4.396 0.02 1 92 8 8 PRO HB2 H 2.220 0.02 2 93 8 8 PRO HB3 H 1.686 0.02 2 94 8 8 PRO HG2 H 1.446 0.02 2 95 8 8 PRO HG3 H 1.157 0.02 2 96 8 8 PRO HD2 H 2.720 0.02 2 97 8 8 PRO HD3 H 3.416 0.02 2 98 8 8 PRO C C 174.166 0.3 1 99 8 8 PRO CA C 62.480 0.3 1 100 8 8 PRO CB C 32.200 0.3 1 101 8 8 PRO CG C 27.171 0.3 1 102 8 8 PRO CD C 51.155 0.3 1 103 9 9 GLU H H 7.992 0.02 1 104 9 9 GLU HA H 3.896 0.02 1 105 9 9 GLU HB2 H 1.965 0.02 2 106 9 9 GLU HB3 H 1.852 0.02 2 107 9 9 GLU HG2 H 2.254 0.02 2 108 9 9 GLU HG3 H 2.337 0.02 2 109 9 9 GLU C C 176.754 0.3 1 110 9 9 GLU CA C 57.349 0.3 1 111 9 9 GLU CB C 30.000 0.3 1 112 9 9 GLU CG C 36.290 0.3 1 113 9 9 GLU N N 116.098 0.3 1 114 10 10 LEU H H 8.539 0.02 1 115 10 10 LEU HA H 4.533 0.02 1 116 10 10 LEU HB2 H 1.559 0.02 2 117 10 10 LEU HB3 H 2.150 0.02 2 118 10 10 LEU HG H 1.667 0.02 1 119 10 10 LEU HD1 H 0.872 0.02 2 120 10 10 LEU HD2 H 0.633 0.02 2 121 10 10 LEU C C 175.443 0.3 1 122 10 10 LEU CA C 53.364 0.3 1 123 10 10 LEU CB C 40.070 0.3 1 124 10 10 LEU CG C 27.100 0.3 1 125 10 10 LEU CD1 C 26.425 0.3 1 126 10 10 LEU CD2 C 23.651 0.3 1 127 10 10 LEU N N 125.671 0.3 1 128 11 11 THR H H 7.310 0.02 1 129 11 11 THR HA H 5.002 0.02 1 130 11 11 THR HB H 4.195 0.02 1 131 11 11 THR HG2 H 1.154 0.02 1 132 11 11 THR C C 173.513 0.3 1 133 11 11 THR CA C 60.005 0.3 1 134 11 11 THR CB C 70.630 0.3 1 135 11 11 THR CG2 C 20.626 0.3 1 136 11 11 THR N N 116.049 0.3 1 137 12 12 GLY H H 8.600 0.02 1 138 12 12 GLY HA2 H 4.197 0.02 2 139 12 12 GLY HA3 H 3.732 0.02 2 140 12 12 GLY C C 174.335 0.3 1 141 12 12 GLY CA C 45.129 0.3 1 142 12 12 GLY N N 110.871 0.3 1 143 13 13 GLU H H 9.636 0.02 1 144 13 13 GLU HA H 4.110 0.02 1 145 13 13 GLU HB2 H 1.970 0.02 2 146 13 13 GLU C C 176.818 0.3 1 147 13 13 GLU CA C 59.076 0.3 1 148 13 13 GLU CB C 29.767 0.3 1 149 13 13 GLU CG C 36.500 0.3 1 150 13 13 GLU N N 126.060 0.3 1 151 14 14 LYS H H 8.316 0.02 1 152 14 14 LYS HA H 4.420 0.02 1 153 14 14 LYS HB2 H 1.686 0.02 2 154 14 14 LYS HB3 H 1.851 0.02 2 155 14 14 LYS HG2 H 1.510 0.02 2 156 14 14 LYS HE2 H 3.002 0.02 2 157 14 14 LYS CA C 55.356 0.3 1 158 14 14 LYS CB C 32.775 0.3 1 159 14 14 LYS CG C 24.600 0.3 1 160 14 14 LYS CD C 29.068 0.3 1 161 14 14 LYS CE C 42.178 0.3 1 162 14 14 LYS N N 120.749 0.3 1 163 15 15 ALA H H 7.160 0.02 1 164 15 15 ALA HA H 4.416 0.02 1 165 15 15 ALA HB H 1.205 0.02 1 166 15 15 ALA CA C 51.816 0.3 1 167 15 15 ALA CB C 21.522 0.3 1 168 15 15 ALA N N 117.936 0.3 1 169 16 16 TRP H H 8.519 0.02 1 170 16 16 TRP HA H 5.474 0.02 1 171 16 16 TRP HB2 H 3.430 0.02 2 172 16 16 TRP HB3 H 2.817 0.02 2 173 16 16 TRP HD1 H 7.115 0.02 1 174 16 16 TRP HE3 H 7.705 0.02 1 175 16 16 TRP C C 177.348 0.3 1 176 16 16 TRP CA C 56.817 0.3 1 177 16 16 TRP CB C 31.890 0.3 1 178 16 16 TRP N N 120.280 0.3 1 179 17 17 LEU H H 9.585 0.02 1 180 17 17 LEU HA H 4.840 0.02 1 181 17 17 LEU HB2 H 1.804 0.02 2 182 17 17 LEU HB3 H 1.558 0.02 2 183 17 17 LEU HG H 1.552 0.02 1 184 17 17 LEU HD1 H 0.774 0.02 2 185 17 17 LEU HD2 H 0.906 0.02 2 186 17 17 LEU C C 177.348 0.3 1 187 17 17 LEU CA C 53.360 0.3 1 188 17 17 LEU CB C 43.933 0.3 1 189 17 17 LEU CG C 27.064 0.3 1 190 17 17 LEU CD1 C 25.736 0.3 1 191 17 17 LEU CD2 C 22.946 0.3 1 192 17 17 LEU N N 122.824 0.3 1 193 18 18 ASN H H 8.957 0.02 1 194 18 18 ASN HA H 4.259 0.02 1 195 18 18 ASN HB2 H 3.503 0.02 2 196 18 18 ASN HB3 H 2.791 0.02 2 197 18 18 ASN HD21 H 7.609 0.02 2 198 18 18 ASN HD22 H 6.442 0.02 2 199 18 18 ASN C C 174.780 0.3 1 200 18 18 ASN CA C 54.958 0.3 1 201 18 18 ASN CB C 36.620 0.3 1 202 18 18 ASN N N 114.890 0.3 1 203 18 18 ASN ND2 N 114.889 0.3 1 204 19 19 GLY H H 8.145 0.02 1 205 19 19 GLY HA2 H 4.133 0.02 2 206 19 19 GLY HA3 H 3.515 0.02 2 207 19 19 GLY C C 169.623 0.3 1 208 19 19 GLY CA C 44.464 0.3 1 209 19 19 GLY N N 109.477 0.3 1 210 20 20 GLU H H 7.382 0.02 1 211 20 20 GLU HA H 2.774 0.02 1 212 20 20 GLU HB2 H 1.126 0.02 2 213 20 20 GLU HB3 H 1.050 0.02 2 214 20 20 GLU HG2 H 1.633 0.02 2 215 20 20 GLU HG3 H 1.482 0.02 2 216 20 20 GLU C C 175.429 0.3 1 217 20 20 GLU CA C 55.091 0.3 1 218 20 20 GLU CB C 31.060 0.3 1 219 20 20 GLU CG C 35.011 0.3 1 220 20 20 GLU N N 115.835 0.3 1 221 21 21 VAL H H 4.900 0.02 1 222 21 21 VAL HA H 4.507 0.02 1 223 21 21 VAL HB H 1.682 0.02 1 224 21 21 VAL HG1 H 0.735 0.02 2 225 21 21 VAL HG2 H 0.690 0.02 2 226 21 21 VAL CA C 59.341 0.3 1 227 21 21 VAL CB C 35.432 0.3 1 228 21 21 VAL CG1 C 21.618 0.3 1 229 21 21 VAL CG2 C 20.820 0.3 1 230 22 22 THR H H 7.524 0.02 1 231 22 22 THR HA H 4.778 0.02 1 232 22 22 THR HB H 4.617 0.02 1 233 22 22 THR HG2 H 1.180 0.02 1 234 22 22 THR C C 174.996 0.3 1 235 22 22 THR CA C 59.050 0.3 1 236 22 22 THR CB C 71.960 0.3 1 237 22 22 THR CG2 C 21.689 0.3 1 238 22 22 THR N N 111.650 0.3 1 239 23 23 ARG H H 9.265 0.02 1 240 23 23 ARG HA H 3.851 0.02 1 241 23 23 ARG HB2 H 1.803 0.02 2 242 23 23 ARG HG2 H 1.703 0.02 2 243 23 23 ARG HG3 H 1.469 0.02 2 244 23 23 ARG HD2 H 3.185 0.02 2 245 23 23 ARG C C 177.658 0.3 1 246 23 23 ARG CA C 60.135 0.3 1 247 23 23 ARG CB C 30.510 0.3 1 248 23 23 ARG CG C 27.158 0.3 1 249 23 23 ARG CD C 43.455 0.3 1 250 23 23 ARG N N 122.545 0.3 1 251 24 24 GLU H H 8.339 0.02 1 252 24 24 GLU HA H 3.905 0.02 1 253 24 24 GLU HB2 H 2.041 0.02 2 254 24 24 GLU HB3 H 1.950 0.02 2 255 24 24 GLU HG2 H 2.387 0.02 2 256 24 24 GLU HG3 H 2.255 0.02 2 257 24 24 GLU C C 178.515 0.3 1 258 24 24 GLU CA C 59.873 0.3 1 259 24 24 GLU CB C 29.080 0.3 1 260 24 24 GLU CG C 37.362 0.3 1 261 24 24 GLU N N 115.819 0.3 1 262 25 25 GLN H H 7.496 0.02 1 263 25 25 GLN HA H 4.167 0.02 1 264 25 25 GLN HB2 H 2.243 0.02 2 265 25 25 GLN HB3 H 2.045 0.02 2 266 25 25 GLN HG2 H 2.361 0.02 2 267 25 25 GLN HG3 H 2.421 0.02 2 268 25 25 GLN HE21 H 6.813 0.02 2 269 25 25 GLN HE22 H 7.425 0.02 2 270 25 25 GLN C C 177.516 0.3 1 271 25 25 GLN CA C 57.440 0.3 1 272 25 25 GLN CB C 29.550 0.3 1 273 25 25 GLN CG C 34.103 0.3 1 274 25 25 GLN N N 116.670 0.3 1 275 25 25 GLN NE2 N 111.607 0.3 1 276 26 26 LEU H H 7.650 0.02 1 277 26 26 LEU HA H 4.166 0.02 1 278 26 26 LEU HB2 H 1.831 0.02 2 279 26 26 LEU HB3 H 1.782 0.02 2 280 26 26 LEU HG H 1.805 0.02 1 281 26 26 LEU HD1 H 0.682 0.02 2 282 26 26 LEU HD2 H 0.758 0.02 2 283 26 26 LEU C C 178.729 0.3 1 284 26 26 LEU CA C 55.490 0.3 1 285 26 26 LEU CB C 42.080 0.3 1 286 26 26 LEU CG C 25.868 0.3 1 287 26 26 LEU CD1 C 22.016 0.3 1 288 26 26 LEU CD2 C 26.798 0.3 1 289 26 26 LEU N N 120.005 0.3 1 290 27 27 ILE H H 7.270 0.02 1 291 27 27 ILE HA H 4.315 0.02 1 292 27 27 ILE HB H 1.720 0.02 1 293 27 27 ILE HG12 H 1.064 0.02 1 294 27 27 ILE HG13 H 1.430 0.02 1 295 27 27 ILE HG2 H 0.816 0.02 1 296 27 27 ILE HD1 H 0.720 0.02 1 297 27 27 ILE C C 176.496 0.3 1 298 27 27 ILE CA C 60.670 0.3 1 299 27 27 ILE CB C 39.948 0.3 1 300 27 27 ILE CG1 C 27.000 0.3 1 301 27 27 ILE CG2 C 16.990 0.3 1 302 27 27 ILE CD1 C 13.454 0.3 1 303 27 27 ILE N N 118.820 0.3 1 304 28 28 GLY H H 8.815 0.02 1 305 28 28 GLY HA2 H 4.596 0.02 2 306 28 28 GLY HA3 H 3.530 0.02 2 307 28 28 GLY C C 174.756 0.3 1 308 28 28 GLY CA C 45.660 0.3 1 309 28 28 GLY N N 112.805 0.3 1 310 29 29 GLU H H 8.855 0.02 1 311 29 29 GLU HA H 4.573 0.02 1 312 29 29 GLU HB2 H 1.896 0.02 2 313 29 29 GLU HB3 H 2.062 0.02 2 314 29 29 GLU HG2 H 2.294 0.02 2 315 29 29 GLU HG3 H 2.177 0.02 2 316 29 29 GLU C C 175.405 0.3 1 317 29 29 GLU CA C 57.880 0.3 1 318 29 29 GLU CB C 33.440 0.3 1 319 29 29 GLU CG C 36.362 0.3 1 320 29 29 GLU N N 120.986 0.3 1 321 30 30 LYS H H 9.460 0.02 1 322 30 30 LYS HA H 4.920 0.02 1 323 30 30 LYS HB2 H 1.678 0.02 2 324 30 30 LYS HB3 H 1.930 0.02 2 325 30 30 LYS HG2 H 1.329 0.02 2 326 30 30 LYS HD2 H 1.345 0.02 2 327 30 30 LYS HD3 H 1.417 0.02 2 328 30 30 LYS HE2 H 3.022 0.02 2 329 30 30 LYS HE3 H 2.927 0.02 2 330 30 30 LYS C C 172.859 0.3 1 331 30 30 LYS CA C 53.895 0.3 1 332 30 30 LYS CB C 35.180 0.3 1 333 30 30 LYS CG C 24.673 0.3 1 334 30 30 LYS CD C 29.527 0.3 1 335 30 30 LYS CE C 42.137 0.3 1 336 30 30 LYS N N 122.626 0.3 1 337 31 31 PRO HA H 4.503 0.02 1 338 31 31 PRO HB2 H 2.505 0.02 2 339 31 31 PRO HB3 H 1.915 0.02 2 340 31 31 PRO HG2 H 1.920 0.02 2 341 31 31 PRO HD2 H 3.853 0.02 2 342 31 31 PRO HD3 H 4.218 0.02 2 343 31 31 PRO C C 174.692 0.3 1 344 31 31 PRO CA C 62.529 0.3 1 345 31 31 PRO CB C 33.440 0.3 1 346 31 31 PRO CG C 27.546 0.3 1 347 31 31 PRO CD C 50.308 0.3 1 348 32 32 THR H H 8.640 0.02 1 349 32 32 THR HA H 5.246 0.02 1 350 32 32 THR HB H 3.879 0.02 1 351 32 32 THR HG1 H 6.156 0.02 1 352 32 32 THR HG2 H 1.189 0.02 1 353 32 32 THR C C 172.842 0.3 1 354 32 32 THR CA C 62.263 0.3 1 355 32 32 THR CB C 72.890 0.3 1 356 32 32 THR CG2 C 22.680 0.3 1 357 32 32 THR N N 114.418 0.3 1 358 33 33 LEU H H 9.600 0.02 1 359 33 33 LEU HA H 5.625 0.02 1 360 33 33 LEU HB2 H 1.352 0.02 2 361 33 33 LEU HB3 H 2.278 0.02 2 362 33 33 LEU HG H 1.786 0.02 1 363 33 33 LEU HD1 H 0.935 0.02 2 364 33 33 LEU HD2 H 1.113 0.02 2 365 33 33 LEU C C 174.336 0.3 1 366 33 33 LEU CA C 53.630 0.3 1 367 33 33 LEU CB C 45.129 0.3 1 368 33 33 LEU CG C 28.392 0.3 1 369 33 33 LEU CD1 C 26.001 0.3 1 370 33 33 LEU CD2 C 24.938 0.3 1 371 33 33 LEU N N 130.111 0.3 1 372 34 34 ILE H H 9.766 0.02 1 373 34 34 ILE HA H 5.611 0.02 1 374 34 34 ILE HB H 2.140 0.02 1 375 34 34 ILE HG12 H 1.900 0.02 1 376 34 34 ILE HG13 H 1.162 0.02 1 377 34 34 ILE HG2 H 0.474 0.02 1 378 34 34 ILE HD1 H 0.850 0.02 1 379 34 34 ILE C C 175.429 0.3 1 380 34 34 ILE CA C 60.138 0.3 1 381 34 34 ILE CB C 39.683 0.3 1 382 34 34 ILE CG1 C 28.923 0.3 1 383 34 34 ILE CG2 C 17.500 0.3 1 384 34 34 ILE CD1 C 12.710 0.3 1 385 34 34 ILE N N 128.840 0.3 1 386 35 35 HIS H H 9.030 0.02 1 387 35 35 HIS HA H 6.260 0.02 1 388 35 35 HIS HB2 H 3.502 0.02 2 389 35 35 HIS HB3 H 2.963 0.02 2 390 35 35 HIS HD2 H 6.743 0.02 1 391 35 35 HIS C C 172.905 0.3 1 392 35 35 HIS CA C 52.434 0.3 1 393 35 35 HIS CB C 32.377 0.3 1 394 35 35 HIS N N 125.521 0.3 1 395 36 36 PHE H H 9.544 0.02 1 396 36 36 PHE HA H 5.602 0.02 1 397 36 36 PHE HB2 H 2.683 0.02 2 398 36 36 PHE HB3 H 3.074 0.02 2 399 36 36 PHE HD1 H 6.876 0.02 3 400 36 36 PHE C C 175.485 0.3 1 401 36 36 PHE CA C 56.286 0.3 1 402 36 36 PHE CB C 42.510 0.3 1 403 36 36 PHE N N 124.802 0.3 1 404 37 37 TRP H H 9.464 0.02 1 405 37 37 TRP HA H 5.525 0.02 1 406 37 37 TRP HB2 H 3.050 0.02 2 407 37 37 TRP HD1 H 6.913 0.02 1 408 37 37 TRP C C 172.825 0.3 1 409 37 37 TRP CA C 55.091 0.3 1 410 37 37 TRP CB C 31.586 0.3 1 411 37 37 TRP N N 122.626 0.3 1 412 38 38 SER H H 7.449 0.02 1 413 38 38 SER HA H 4.274 0.02 1 414 38 38 SER HB2 H 3.600 0.02 2 415 38 38 SER HB3 H 3.354 0.02 2 416 38 38 SER C C 176.888 0.3 1 417 38 38 SER CA C 56.552 0.3 1 418 38 38 SER CB C 66.514 0.3 1 419 38 38 SER N N 113.482 0.3 1 420 39 39 ILE H H 11.000 0.02 1 421 39 39 ILE HA H 4.132 0.02 1 422 39 39 ILE HB H 2.078 0.02 1 423 39 39 ILE HG12 H 1.347 0.02 1 424 39 39 ILE HG13 H 1.435 0.02 1 425 39 39 ILE HG2 H 1.015 0.02 1 426 39 39 ILE HD1 H 0.750 0.02 1 427 39 39 ILE C C 180.613 0.3 1 428 39 39 ILE CA C 65.186 0.3 1 429 39 39 ILE CB C 39.151 0.3 1 430 39 39 ILE CG1 C 24.806 0.3 1 431 39 39 ILE CG2 C 19.891 0.3 1 432 39 39 ILE CD1 C 14.976 0.3 1 433 39 39 ILE N N 125.002 0.3 1 434 40 40 SER H H 7.373 0.02 1 435 40 40 SER HA H 4.511 0.02 1 436 40 40 SER HB2 H 4.063 0.02 2 437 40 40 SER C C 174.366 0.3 1 438 40 40 SER CA C 57.110 0.3 1 439 40 40 SER CB C 62.980 0.3 1 440 40 40 SER N N 111.826 0.3 1 441 41 41 CYS H H 7.360 0.02 1 442 41 41 CYS HA H 4.698 0.02 1 443 41 41 CYS HB2 H 2.571 0.02 2 444 41 41 CYS HB3 H 3.082 0.02 2 445 41 41 CYS C C 176.818 0.3 1 446 41 41 CYS CA C 60.000 0.3 1 447 41 41 CYS CB C 31.846 0.3 1 448 41 41 CYS N N 126.801 0.3 1 449 42 42 HIS HA H 4.377 0.02 1 450 42 42 HIS HB2 H 3.340 0.02 2 451 42 42 HIS HB3 H 3.240 0.02 2 452 42 42 HIS C C 177.600 0.3 1 453 42 42 HIS CA C 59.474 0.3 1 454 42 42 HIS CB C 29.853 0.3 1 455 43 43 LEU H H 8.804 0.02 1 456 43 43 LEU HA H 4.100 0.02 1 457 43 43 LEU HB2 H 1.903 0.02 2 458 43 43 LEU HB3 H 1.345 0.02 2 459 43 43 LEU HG H 1.387 0.02 1 460 43 43 LEU HD1 H 0.856 0.02 2 461 43 43 LEU HD2 H 0.958 0.02 2 462 43 43 LEU C C 181.408 0.3 1 463 43 43 LEU CA C 57.880 0.3 1 464 43 43 LEU CB C 41.941 0.3 1 465 43 43 LEU CG C 26.850 0.3 1 466 43 43 LEU CD1 C 23.345 0.3 1 467 43 43 LEU CD2 C 25.469 0.3 1 468 43 43 LEU N N 127.407 0.3 1 469 44 44 CYS H H 9.831 0.02 1 470 44 44 CYS HA H 4.278 0.02 1 471 44 44 CYS HB2 H 3.864 0.02 2 472 44 44 CYS HB3 H 2.780 0.02 2 473 44 44 CYS C C 177.571 0.3 1 474 44 44 CYS CA C 63.857 0.3 1 475 44 44 CYS CB C 29.189 0.3 1 476 44 44 CYS N N 125.796 0.3 1 477 45 45 LYS H H 7.373 0.02 1 478 45 45 LYS HA H 3.581 0.02 1 479 45 45 LYS HB2 H 1.867 0.02 2 480 45 45 LYS HG2 H 1.548 0.02 2 481 45 45 LYS HD2 H 1.687 0.02 2 482 45 45 LYS HD3 H 1.742 0.02 2 483 45 45 LYS HE2 H 2.927 0.02 2 484 45 45 LYS HE3 H 2.995 0.02 2 485 45 45 LYS C C 178.570 0.3 1 486 45 45 LYS CA C 60.537 0.3 1 487 45 45 LYS CB C 32.244 0.3 1 488 45 45 LYS CG C 24.862 0.3 1 489 45 45 LYS CD C 29.125 0.3 1 490 45 45 LYS CE C 42.061 0.3 1 491 45 45 LYS N N 119.218 0.3 1 492 46 46 GLU H H 8.139 0.02 1 493 46 46 GLU HA H 4.061 0.02 1 494 46 46 GLU HB2 H 2.152 0.02 2 495 46 46 GLU HG2 H 2.475 0.02 2 496 46 46 GLU HG3 H 2.329 0.02 2 497 46 46 GLU C C 178.114 0.3 1 498 46 46 GLU CA C 59.120 0.3 1 499 46 46 GLU CB C 29.720 0.3 1 500 46 46 GLU CG C 36.626 0.3 1 501 46 46 GLU N N 119.720 0.3 1 502 47 47 ALA H H 7.485 0.02 1 503 47 47 ALA HA H 4.527 0.02 1 504 47 47 ALA HB H 1.566 0.02 1 505 47 47 ALA C C 176.818 0.3 1 506 47 47 ALA CA C 52.833 0.3 1 507 47 47 ALA CB C 20.023 0.3 1 508 47 47 ALA N N 118.380 0.3 1 509 48 48 MET H H 7.469 0.02 1 510 48 48 MET HA H 4.446 0.02 1 511 48 48 MET HB2 H 2.044 0.02 2 512 48 48 MET HB3 H 2.260 0.02 2 513 48 48 MET HG2 H 2.436 0.02 2 514 48 48 MET HG3 H 2.530 0.02 2 515 48 48 MET HE H 1.513 0.02 1 516 48 48 MET C C 175.452 0.3 1 517 48 48 MET CA C 57.742 0.3 1 518 48 48 MET CB C 27.550 0.3 1 519 48 48 MET CG C 32.553 0.3 1 520 48 48 MET CE C 14.976 0.3 1 521 48 48 MET N N 120.390 0.3 1 522 49 49 PRO HA H 4.275 0.02 1 523 49 49 PRO HB2 H 2.382 0.02 2 524 49 49 PRO HB3 H 1.814 0.02 2 525 49 49 PRO HG2 H 2.068 0.02 2 526 49 49 PRO HG3 H 2.178 0.02 2 527 49 49 PRO HD2 H 3.630 0.02 2 528 49 49 PRO HD3 H 3.804 0.02 2 529 49 49 PRO C C 179.975 0.3 1 530 49 49 PRO CA C 66.514 0.3 1 531 49 49 PRO CB C 31.049 0.3 1 532 49 49 PRO CG C 28.513 0.3 1 533 49 49 PRO CD C 50.786 0.3 1 534 50 50 GLN H H 7.442 0.02 1 535 50 50 GLN HA H 4.064 0.02 1 536 50 50 GLN HB2 H 2.252 0.02 2 537 50 50 GLN HB3 H 1.900 0.02 2 538 50 50 GLN HG2 H 2.280 0.02 2 539 50 50 GLN HG3 H 2.466 0.02 2 540 50 50 GLN HE21 H 7.448 0.02 2 541 50 50 GLN HE22 H 6.841 0.02 2 542 50 50 GLN C C 178.580 0.3 1 543 50 50 GLN CA C 58.810 0.3 1 544 50 50 GLN CB C 29.080 0.3 1 545 50 50 GLN CG C 35.467 0.3 1 546 50 50 GLN N N 115.826 0.3 1 547 50 50 GLN NE2 N 113.482 0.3 1 548 51 51 VAL H H 7.616 0.02 1 549 51 51 VAL HA H 3.287 0.02 1 550 51 51 VAL HB H 2.048 0.02 1 551 51 51 VAL HG1 H 0.221 0.02 2 552 51 51 VAL HG2 H 0.887 0.02 2 553 51 51 VAL C C 177.939 0.3 1 554 51 51 VAL CA C 66.647 0.3 1 555 51 51 VAL CB C 30.915 0.3 1 556 51 51 VAL CG1 C 20.024 0.3 1 557 51 51 VAL CG2 C 23.610 0.3 1 558 51 51 VAL N N 123.580 0.3 1 559 52 52 ASN H H 8.585 0.02 1 560 52 52 ASN HA H 4.176 0.02 1 561 52 52 ASN HB2 H 2.800 0.02 2 562 52 52 ASN HD21 H 7.151 0.02 2 563 52 52 ASN HD22 H 5.932 0.02 2 564 52 52 ASN C C 177.519 0.3 1 565 52 52 ASN CA C 55.180 0.3 1 566 52 52 ASN CB C 37.200 0.3 1 567 52 52 ASN N N 120.110 0.3 1 568 52 52 ASN ND2 N 107.857 0.3 1 569 53 53 GLU H H 7.600 0.02 1 570 53 53 GLU HA H 4.087 0.02 1 571 53 53 GLU HB2 H 2.088 0.02 2 572 53 53 GLU HB3 H 1.984 0.02 2 573 53 53 GLU HG2 H 2.157 0.02 2 574 53 53 GLU HG3 H 2.411 0.02 2 575 53 53 GLU CA C 59.574 0.3 1 576 53 53 GLU CB C 29.530 0.3 1 577 53 53 GLU CG C 36.409 0.3 1 578 53 53 GLU N N 121.390 0.3 1 579 54 54 PHE H H 7.669 0.02 1 580 54 54 PHE HA H 4.332 0.02 1 581 54 54 PHE HB2 H 3.295 0.02 2 582 54 54 PHE HB3 H 3.168 0.02 2 583 54 54 PHE HD1 H 6.987 0.02 3 584 54 54 PHE HD2 H 7.061 0.02 3 585 54 54 PHE HE1 H 6.830 0.02 3 586 54 54 PHE CA C 60.271 0.3 1 587 54 54 PHE CB C 38.221 0.3 1 588 54 54 PHE N N 121.069 0.3 1 589 55 55 ARG H H 8.463 0.02 1 590 55 55 ARG HA H 3.848 0.02 1 591 55 55 ARG HB2 H 2.551 0.02 2 592 55 55 ARG HB3 H 1.686 0.02 2 593 55 55 ARG HG2 H 2.068 0.02 2 594 55 55 ARG HG3 H 1.688 0.02 2 595 55 55 ARG C C 178.018 0.3 1 596 55 55 ARG CA C 58.677 0.3 1 597 55 55 ARG CB C 30.330 0.3 1 598 55 55 ARG CG C 25.795 0.3 1 599 55 55 ARG CD C 43.754 0.3 1 600 55 55 ARG N N 119.811 0.3 1 601 56 56 ASP H H 8.065 0.02 1 602 56 56 ASP HA H 4.500 0.02 1 603 56 56 ASP HB2 H 2.666 0.02 2 604 56 56 ASP C C 179.051 0.3 1 605 56 56 ASP CA C 57.080 0.3 1 606 56 56 ASP CB C 39.948 0.3 1 607 56 56 ASP N N 117.465 0.3 1 608 57 57 LYS H H 8.535 0.02 1 609 57 57 LYS HA H 3.930 0.02 1 610 57 57 LYS HB2 H 1.700 0.02 2 611 57 57 LYS HB3 H 1.425 0.02 2 612 57 57 LYS HG2 H 1.024 0.02 2 613 57 57 LYS HG3 H 0.650 0.02 2 614 57 57 LYS HD2 H 1.470 0.02 2 615 57 57 LYS HD3 H 1.422 0.02 2 616 57 57 LYS HE2 H 2.739 0.02 2 617 57 57 LYS HE3 H 2.954 0.02 2 618 57 57 LYS C C 178.249 0.3 1 619 57 57 LYS CA C 59.076 0.3 1 620 57 57 LYS CB C 32.642 0.3 1 621 57 57 LYS CG C 24.673 0.3 1 622 57 57 LYS CD C 29.924 0.3 1 623 57 57 LYS CE C 42.144 0.3 1 624 57 57 LYS N N 123.077 0.3 1 625 58 58 TYR H H 7.630 0.02 1 626 58 58 TYR HA H 4.842 0.02 1 627 58 58 TYR HB2 H 3.200 0.02 2 628 58 58 TYR HB3 H 2.518 0.02 2 629 58 58 TYR HD1 H 6.910 0.02 3 630 58 58 TYR HE1 H 6.579 0.02 3 631 58 58 TYR C C 176.784 0.3 1 632 58 58 TYR CA C 57.190 0.3 1 633 58 58 TYR CB C 38.000 0.3 1 634 58 58 TYR N N 115.429 0.3 1 635 59 59 GLN H H 7.270 0.02 1 636 59 59 GLN HA H 4.390 0.02 1 637 59 59 GLN HB2 H 2.236 0.02 2 638 59 59 GLN HB3 H 2.389 0.02 2 639 59 59 GLN HG2 H 2.503 0.02 2 640 59 59 GLN HG3 H 2.399 0.02 2 641 59 59 GLN HE21 H 6.822 0.02 2 642 59 59 GLN HE22 H 7.668 0.02 2 643 59 59 GLN C C 176.567 0.3 1 644 59 59 GLN CA C 59.208 0.3 1 645 59 59 GLN CB C 28.791 0.3 1 646 59 59 GLN CG C 33.307 0.3 1 647 59 59 GLN N N 122.200 0.3 1 648 59 59 GLN NE2 N 112.545 0.3 1 649 60 60 ASP H H 8.785 0.02 1 650 60 60 ASP HA H 4.642 0.02 1 651 60 60 ASP HB2 H 2.795 0.02 2 652 60 60 ASP C C 176.501 0.3 1 653 60 60 ASP CA C 55.887 0.3 1 654 60 60 ASP CB C 40.745 0.3 1 655 60 60 ASP N N 118.040 0.3 1 656 61 61 GLN H H 8.138 0.02 1 657 61 61 GLN HA H 4.511 0.02 1 658 61 61 GLN HB2 H 1.915 0.02 2 659 61 61 GLN HB3 H 2.333 0.02 2 660 61 61 GLN HG2 H 2.303 0.02 2 661 61 61 GLN HG3 H 2.361 0.02 2 662 61 61 GLN HE21 H 7.720 0.02 2 663 61 61 GLN HE22 H 6.835 0.02 2 664 61 61 GLN C C 173.708 0.3 1 665 61 61 GLN CA C 56.552 0.3 1 666 61 61 GLN CB C 33.174 0.3 1 667 61 61 GLN CG C 34.728 0.3 1 668 61 61 GLN N N 117.257 0.3 1 669 61 61 GLN NE2 N 112.310 0.3 1 670 62 62 LEU H H 7.756 0.02 1 671 62 62 LEU HA H 4.706 0.02 1 672 62 62 LEU HB2 H 1.902 0.02 2 673 62 62 LEU HB3 H 1.118 0.02 2 674 62 62 LEU HG H 1.610 0.02 1 675 62 62 LEU HD1 H 0.766 0.02 2 676 62 62 LEU HD2 H 0.690 0.02 2 677 62 62 LEU C C 175.903 0.3 1 678 62 62 LEU CA C 53.720 0.3 1 679 62 62 LEU CB C 47.785 0.3 1 680 62 62 LEU CG C 26.400 0.3 1 681 62 62 LEU CD1 C 23.610 0.3 1 682 62 62 LEU CD2 C 26.798 0.3 1 683 62 62 LEU N N 120.034 0.3 1 684 63 63 ASN H H 9.017 0.02 1 685 63 63 ASN HA H 5.031 0.02 1 686 63 63 ASN HB2 H 3.130 0.02 2 687 63 63 ASN HB3 H 2.476 0.02 2 688 63 63 ASN HD21 H 6.941 0.02 2 689 63 63 ASN HD22 H 7.337 0.02 2 690 63 63 ASN C C 174.735 0.3 1 691 63 63 ASN CA C 53.231 0.3 1 692 63 63 ASN CB C 40.214 0.3 1 693 63 63 ASN N N 124.057 0.3 1 694 63 63 ASN ND2 N 118.874 0.3 1 695 64 64 VAL H H 8.530 0.02 1 696 64 64 VAL HA H 5.380 0.02 1 697 64 64 VAL HB H 2.034 0.02 1 698 64 64 VAL HG1 H 1.028 0.02 2 699 64 64 VAL HG2 H 1.145 0.02 2 700 64 64 VAL C C 174.747 0.3 1 701 64 64 VAL CA C 62.263 0.3 1 702 64 64 VAL CB C 34.635 0.3 1 703 64 64 VAL CG1 C 22.149 0.3 1 704 64 64 VAL CG2 C 22.813 0.3 1 705 64 64 VAL N N 123.511 0.3 1 706 65 65 VAL H H 9.000 0.02 1 707 65 65 VAL HA H 4.396 0.02 1 708 65 65 VAL HB H 1.915 0.02 1 709 65 65 VAL HG1 H 0.920 0.02 2 710 65 65 VAL HG2 H 0.964 0.02 2 711 65 65 VAL C C 172.900 0.3 1 712 65 65 VAL CA C 61.732 0.3 1 713 65 65 VAL CB C 36.495 0.3 1 714 65 65 VAL CG1 C 22.282 0.3 1 715 65 65 VAL CG2 C 20.688 0.3 1 716 65 65 VAL N N 127.426 0.3 1 717 66 66 ALA H H 8.960 0.02 1 718 66 66 ALA HA H 4.379 0.02 1 719 66 66 ALA HB H 1.217 0.02 1 720 66 66 ALA C C 176.573 0.3 1 721 66 66 ALA CA C 49.600 0.3 1 722 66 66 ALA CB C 22.282 0.3 1 723 66 66 ALA N N 129.166 0.3 1 724 67 67 VAL H H 8.920 0.02 1 725 67 67 VAL HA H 4.610 0.02 1 726 67 67 VAL HB H 0.391 0.02 1 727 67 67 VAL HG1 H -0.235 0.02 2 728 67 67 VAL HG2 H 0.233 0.02 2 729 67 67 VAL C C 175.283 0.3 1 730 67 67 VAL CA C 60.404 0.3 1 731 67 67 VAL CB C 33.307 0.3 1 732 67 67 VAL CG1 C 19.758 0.3 1 733 67 67 VAL CG2 C 22.016 0.3 1 734 67 67 VAL N N 121.394 0.3 1 735 68 68 HIS H H 9.015 0.02 1 736 68 68 HIS HA H 3.875 0.02 1 737 68 68 HIS HB2 H 2.618 0.02 2 738 68 68 HIS HB3 H 2.183 0.02 2 739 68 68 HIS C C 172.874 0.3 1 740 68 68 HIS CA C 56.900 0.3 1 741 68 68 HIS CB C 29.970 0.3 1 742 68 68 HIS N N 125.905 0.3 1 743 69 69 MET H H 8.400 0.02 1 744 69 69 MET HA H 4.688 0.02 1 745 69 69 MET HB2 H 1.640 0.02 2 746 69 69 MET HB3 H 1.721 0.02 2 747 69 69 MET HG2 H 1.950 0.02 2 748 69 69 MET HG3 H 2.632 0.02 2 749 69 69 MET HE H 1.716 0.02 1 750 69 69 MET C C 171.981 0.3 1 751 69 69 MET CA C 51.040 0.3 1 752 69 69 MET CB C 36.680 0.3 1 753 69 69 MET CG C 30.890 0.3 1 754 69 69 MET CE C 17.899 0.3 1 755 69 69 MET N N 130.658 0.3 1 756 70 70 PRO HA H 4.500 0.02 1 757 70 70 PRO HB2 H 2.118 0.02 2 758 70 70 PRO HB3 H 1.926 0.02 2 759 70 70 PRO HG2 H 2.286 0.02 2 760 70 70 PRO HD2 H 3.610 0.02 2 761 70 70 PRO C C 176.923 0.3 1 762 70 70 PRO CA C 62.529 0.3 1 763 70 70 PRO CB C 32.870 0.3 1 764 70 70 PRO CG C 28.758 0.3 1 765 70 70 PRO CD C 50.660 0.3 1 766 71 71 ARG H H 9.940 0.02 1 767 71 71 ARG HA H 4.435 0.02 1 768 71 71 ARG HB2 H 1.980 0.02 2 769 71 71 ARG HB3 H 1.600 0.02 2 770 71 71 ARG HG2 H 1.485 0.02 2 771 71 71 ARG HG3 H 1.616 0.02 2 772 71 71 ARG HD2 H 3.124 0.02 2 773 71 71 ARG C C 175.837 0.3 1 774 71 71 ARG CA C 56.286 0.3 1 775 71 71 ARG CB C 31.445 0.3 1 776 71 71 ARG CG C 27.270 0.3 1 777 71 71 ARG CD C 43.660 0.3 1 778 71 71 ARG N N 121.824 0.3 1 779 72 72 SER H H 7.802 0.02 1 780 72 72 SER HA H 4.611 0.02 1 781 72 72 SER HB2 H 4.107 0.02 2 782 72 72 SER HB3 H 3.939 0.02 2 783 72 72 SER C C 174.997 0.3 1 784 72 72 SER CA C 57.482 0.3 1 785 72 72 SER CB C 65.584 0.3 1 786 72 72 SER N N 113.644 0.3 1 787 73 73 GLU H H 9.270 0.02 1 788 73 73 GLU HA H 3.907 0.02 1 789 73 73 GLU HB2 H 2.115 0.02 2 790 73 73 GLU HB3 H 1.967 0.02 2 791 73 73 GLU HG2 H 2.348 0.02 2 792 73 73 GLU CA C 57.410 0.3 1 793 73 73 GLU CB C 28.900 0.3 1 794 73 73 GLU CG C 33.909 0.3 1 795 73 73 GLU N N 120.675 0.3 1 796 74 74 ASP H H 8.142 0.02 1 797 74 74 ASP HA H 4.576 0.02 1 798 74 74 ASP HB2 H 2.400 0.02 2 799 74 74 ASP HB3 H 2.713 0.02 2 800 74 74 ASP CA C 56.070 0.3 1 801 74 74 ASP CB C 40.930 0.3 1 802 74 74 ASP N N 120.200 0.3 1 803 75 75 ASP H H 7.490 0.02 1 804 75 75 ASP HA H 4.770 0.02 1 805 75 75 ASP HB2 H 2.864 0.02 2 806 75 75 ASP HB3 H 3.121 0.02 2 807 75 75 ASP C C 175.277 0.3 1 808 75 75 ASP CA C 53.780 0.3 1 809 75 75 ASP CB C 42.339 0.3 1 810 75 75 ASP N N 118.405 0.3 1 811 76 76 LEU H H 7.232 0.02 1 812 76 76 LEU HA H 4.574 0.02 1 813 76 76 LEU HB2 H 1.572 0.02 2 814 76 76 LEU HB3 H 1.823 0.02 2 815 76 76 LEU HG H 1.682 0.02 1 816 76 76 LEU HD1 H 0.870 0.02 2 817 76 76 LEU HD2 H 0.987 0.02 2 818 76 76 LEU C C 177.519 0.3 1 819 76 76 LEU CA C 55.416 0.3 1 820 76 76 LEU CB C 43.130 0.3 1 821 76 76 LEU CG C 26.665 0.3 1 822 76 76 LEU CD1 C 23.623 0.3 1 823 76 76 LEU CD2 C 25.469 0.3 1 824 76 76 LEU N N 116.998 0.3 1 825 77 77 ASP H H 7.600 0.02 1 826 77 77 ASP HA H 4.760 0.02 1 827 77 77 ASP HB2 H 2.668 0.02 2 828 77 77 ASP HB3 H 2.763 0.02 2 829 77 77 ASP C C 179.130 0.3 1 830 77 77 ASP CA C 52.356 0.3 1 831 77 77 ASP CB C 42.339 0.3 1 832 77 77 ASP N N 121.217 0.3 1 833 78 78 PRO HA H 4.060 0.02 1 834 78 78 PRO HB2 H 2.141 0.02 2 835 78 78 PRO HB3 H 2.012 0.02 2 836 78 78 PRO HG2 H 1.872 0.02 2 837 78 78 PRO HG3 H 2.138 0.02 2 838 78 78 PRO HD2 H 3.846 0.02 2 839 78 78 PRO HD3 H 4.315 0.02 2 840 78 78 PRO C C 178.858 0.3 1 841 78 78 PRO CA C 65.053 0.3 1 842 78 78 PRO CB C 32.111 0.3 1 843 78 78 PRO CG C 27.595 0.3 1 844 78 78 PRO CD C 51.239 0.3 1 845 79 79 GLY H H 8.346 0.02 1 846 79 79 GLY HA2 H 3.913 0.02 2 847 79 79 GLY HA3 H 3.802 0.02 2 848 79 79 GLY C C 176.643 0.3 1 849 79 79 GLY CA C 47.121 0.3 1 850 79 79 GLY N N 107.630 0.3 1 851 80 80 LYS H H 7.660 0.02 1 852 80 80 LYS HA H 4.190 0.02 1 853 80 80 LYS HB2 H 1.853 0.02 2 854 80 80 LYS HG2 H 1.400 0.02 2 855 80 80 LYS HG3 H 1.559 0.02 2 856 80 80 LYS HD2 H 1.716 0.02 2 857 80 80 LYS HD3 H 1.669 0.02 2 858 80 80 LYS HE2 H 2.991 0.02 2 859 80 80 LYS C C 180.239 0.3 1 860 80 80 LYS CA C 58.544 0.3 1 861 80 80 LYS CB C 32.510 0.3 1 862 80 80 LYS CG C 25.204 0.3 1 863 80 80 LYS CD C 29.322 0.3 1 864 80 80 LYS CE C 42.144 0.3 1 865 80 80 LYS N N 123.736 0.3 1 866 81 81 ILE H H 7.739 0.02 1 867 81 81 ILE HA H 3.426 0.02 1 868 81 81 ILE HB H 1.543 0.02 1 869 81 81 ILE HG12 H 1.300 0.02 1 870 81 81 ILE HG13 H -0.233 0.02 1 871 81 81 ILE HG2 H 0.447 0.02 1 872 81 81 ILE HD1 H 0.280 0.02 1 873 81 81 ILE C C 177.178 0.3 1 874 81 81 ILE CA C 65.584 0.3 1 875 81 81 ILE CB C 37.690 0.3 1 876 81 81 ILE CG1 C 28.214 0.3 1 877 81 81 ILE CG2 C 17.347 0.3 1 878 81 81 ILE CD1 C 14.844 0.3 1 879 81 81 ILE N N 122.477 0.3 1 880 82 82 LYS H H 8.183 0.02 1 881 82 82 LYS HA H 3.868 0.02 1 882 82 82 LYS HB2 H 1.937 0.02 2 883 82 82 LYS HB3 H 2.041 0.02 2 884 82 82 LYS HG2 H 1.503 0.02 2 885 82 82 LYS HG3 H 1.555 0.02 2 886 82 82 LYS HD2 H 1.712 0.02 2 887 82 82 LYS HE2 H 2.930 0.02 2 888 82 82 LYS C C 179.480 0.3 1 889 82 82 LYS CA C 60.130 0.3 1 890 82 82 LYS CB C 32.500 0.3 1 891 82 82 LYS CG C 25.119 0.3 1 892 82 82 LYS CD C 29.357 0.3 1 893 82 82 LYS CE C 42.145 0.3 1 894 82 82 LYS N N 120.676 0.3 1 895 83 83 GLU H H 8.113 0.02 1 896 83 83 GLU HA H 4.156 0.02 1 897 83 83 GLU HB2 H 2.149 0.02 2 898 83 83 GLU HB3 H 2.295 0.02 2 899 83 83 GLU HG2 H 2.430 0.02 2 900 83 83 GLU HG3 H 2.322 0.02 2 901 83 83 GLU C C 179.497 0.3 1 902 83 83 GLU CA C 59.474 0.3 1 903 83 83 GLU CB C 29.853 0.3 1 904 83 83 GLU CG C 36.837 0.3 1 905 83 83 GLU N N 120.157 0.3 1 906 84 84 THR H H 8.254 0.02 1 907 84 84 THR HA H 4.247 0.02 1 908 84 84 THR HB H 4.387 0.02 1 909 84 84 THR HG2 H 1.506 0.02 1 910 84 84 THR C C 176.468 0.3 1 911 84 84 THR CA C 67.045 0.3 1 912 84 84 THR CB C 68.639 0.3 1 913 84 84 THR CG2 C 22.415 0.3 1 914 84 84 THR N N 118.503 0.3 1 915 85 85 ALA H H 9.017 0.02 1 916 85 85 ALA HA H 3.902 0.02 1 917 85 85 ALA HB H 1.621 0.02 1 918 85 85 ALA C C 179.165 0.3 1 919 85 85 ALA CA C 55.755 0.3 1 920 85 85 ALA CB C 18.164 0.3 1 921 85 85 ALA N N 124.655 0.3 1 922 86 86 ALA H H 7.854 0.02 1 923 86 86 ALA HA H 4.240 0.02 1 924 86 86 ALA HB H 1.543 0.02 1 925 86 86 ALA C C 181.512 0.3 1 926 86 86 ALA CA C 54.825 0.3 1 927 86 86 ALA CB C 17.766 0.3 1 928 86 86 ALA N N 120.410 0.3 1 929 87 87 GLU H H 7.918 0.02 1 930 87 87 GLU HA H 3.976 0.02 1 931 87 87 GLU HB2 H 2.185 0.02 2 932 87 87 GLU HB3 H 2.010 0.02 2 933 87 87 GLU HG2 H 1.982 0.02 2 934 87 87 GLU HG3 H 2.269 0.02 2 935 87 87 GLU C C 177.659 0.3 1 936 87 87 GLU CA C 58.810 0.3 1 937 87 87 GLU CB C 29.720 0.3 1 938 87 87 GLU CG C 35.890 0.3 1 939 87 87 GLU N N 120.849 0.3 1 940 88 88 HIS H H 7.557 0.02 1 941 88 88 HIS HA H 4.500 0.02 1 942 88 88 HIS HB2 H 3.240 0.02 2 943 88 88 HIS HB3 H 2.585 0.02 2 944 88 88 HIS HD2 H 6.906 0.02 1 945 88 88 HIS HE1 H 7.148 0.02 1 946 88 88 HIS C C 173.424 0.3 1 947 88 88 HIS CA C 56.153 0.3 1 948 88 88 HIS CB C 30.252 0.3 1 949 88 88 HIS N N 115.145 0.3 1 950 89 89 ASP H H 7.753 0.02 1 951 89 89 ASP HA H 4.210 0.02 1 952 89 89 ASP HB2 H 3.051 0.02 2 953 89 89 ASP HB3 H 2.309 0.02 2 954 89 89 ASP C C 173.715 0.3 1 955 89 89 ASP CA C 55.490 0.3 1 956 89 89 ASP CB C 39.650 0.3 1 957 89 89 ASP N N 119.108 0.3 1 958 90 90 ILE H H 8.470 0.02 1 959 90 90 ILE HA H 3.845 0.02 1 960 90 90 ILE HB H 1.700 0.02 1 961 90 90 ILE HG12 H 0.670 0.02 1 962 90 90 ILE HG13 H 1.422 0.02 1 963 90 90 ILE HG2 H 0.450 0.02 1 964 90 90 ILE HD1 H -0.277 0.02 1 965 90 90 ILE C C 175.598 0.3 1 966 90 90 ILE CA C 61.466 0.3 1 967 90 90 ILE CB C 36.495 0.3 1 968 90 90 ILE CG1 C 26.400 0.3 1 969 90 90 ILE CG2 C 16.960 0.3 1 970 90 90 ILE CD1 C 12.984 0.3 1 971 90 90 ILE N N 119.108 0.3 1 972 91 91 THR H H 7.085 0.02 1 973 91 91 THR HA H 4.117 0.02 1 974 91 91 THR HB H 4.292 0.02 1 975 91 91 THR HG2 H 1.054 0.02 1 976 91 91 THR C C 175.475 0.3 1 977 91 91 THR CA C 61.998 0.3 1 978 91 91 THR CB C 69.037 0.3 1 979 91 91 THR CG2 C 21.751 0.3 1 980 91 91 THR N N 117.244 0.3 1 981 92 92 GLN H H 10.508 0.02 1 982 92 92 GLN HA H 4.650 0.02 1 983 92 92 GLN HB2 H 1.850 0.02 2 984 92 92 GLN HB3 H 2.652 0.02 2 985 92 92 GLN HG2 H 2.390 0.02 2 986 92 92 GLN HG3 H 2.190 0.02 2 987 92 92 GLN HE21 H 9.922 0.02 2 988 92 92 GLN HE22 H 7.845 0.02 2 989 92 92 GLN C C 171.356 0.3 1 990 92 92 GLN CA C 53.762 0.3 1 991 92 92 GLN CB C 26.134 0.3 1 992 92 92 GLN CG C 32.041 0.3 1 993 92 92 GLN N N 127.855 0.3 1 994 92 92 GLN NE2 N 119.577 0.3 1 995 93 93 PRO HA H 4.745 0.02 1 996 93 93 PRO HB2 H 2.619 0.02 2 997 93 93 PRO HB3 H 2.593 0.02 2 998 93 93 PRO HG2 H 1.858 0.02 2 999 93 93 PRO HD2 H 4.002 0.02 2 1000 93 93 PRO HD3 H 4.000 0.02 2 1001 93 93 PRO C C 175.564 0.3 1 1002 93 93 PRO CA C 64.870 0.3 1 1003 93 93 PRO CB C 32.775 0.3 1 1004 93 93 PRO CG C 28.578 0.3 1 1005 93 93 PRO CD C 50.468 0.3 1 1006 94 94 ILE H H 9.315 0.02 1 1007 94 94 ILE HA H 5.143 0.02 1 1008 94 94 ILE HB H 1.932 0.02 1 1009 94 94 ILE HG12 H 2.328 0.02 1 1010 94 94 ILE HG13 H 0.745 0.02 1 1011 94 94 ILE HG2 H 0.863 0.02 1 1012 94 94 ILE HD1 H 0.927 0.02 1 1013 94 94 ILE C C 174.551 0.3 1 1014 94 94 ILE CA C 59.076 0.3 1 1015 94 94 ILE CB C 42.180 0.3 1 1016 94 94 ILE CG1 C 26.798 0.3 1 1017 94 94 ILE CG2 C 19.094 0.3 1 1018 94 94 ILE CD1 C 15.641 0.3 1 1019 94 94 ILE N N 120.643 0.3 1 1020 95 95 PHE H H 9.192 0.02 1 1021 95 95 PHE HA H 3.485 0.02 1 1022 95 95 PHE HB2 H 1.776 0.02 2 1023 95 95 PHE HB3 H 2.818 0.02 2 1024 95 95 PHE C C 175.690 0.3 1 1025 95 95 PHE CA C 56.286 0.3 1 1026 95 95 PHE CB C 38.753 0.3 1 1027 95 95 PHE N N 131.609 0.3 1 1028 96 96 VAL H H 8.575 0.02 1 1029 96 96 VAL HA H 3.957 0.02 1 1030 96 96 VAL HB H 2.175 0.02 1 1031 96 96 VAL HG1 H 0.900 0.02 2 1032 96 96 VAL HG2 H 0.749 0.02 2 1033 96 96 VAL C C 174.429 0.3 1 1034 96 96 VAL CA C 64.570 0.3 1 1035 96 96 VAL CB C 39.124 0.3 1 1036 96 96 VAL CG1 C 22.946 0.3 1 1037 96 96 VAL CG2 C 21.619 0.3 1 1038 96 96 VAL N N 131.226 0.3 1 1039 97 97 ASP H H 8.976 0.02 1 1040 97 97 ASP HA H 5.390 0.02 1 1041 97 97 ASP HB2 H 3.038 0.02 2 1042 97 97 ASP HB3 H 2.172 0.02 2 1043 97 97 ASP C C 178.659 0.3 1 1044 97 97 ASP CA C 53.762 0.3 1 1045 97 97 ASP CB C 41.210 0.3 1 1046 97 97 ASP N N 134.344 0.3 1 1047 98 98 SER H H 7.151 0.02 1 1048 98 98 SER HA H 4.077 0.02 1 1049 98 98 SER HB2 H 4.045 0.02 2 1050 98 98 SER HB3 H 3.526 0.02 2 1051 98 98 SER C C 172.834 0.3 1 1052 98 98 SER CA C 61.800 0.3 1 1053 98 98 SER CB C 63.064 0.3 1 1054 98 98 SER N N 114.654 0.3 1 1055 99 99 ASP H H 8.517 0.02 1 1056 99 99 ASP HA H 4.139 0.02 1 1057 99 99 ASP HB2 H 2.880 0.02 2 1058 99 99 ASP HB3 H 2.668 0.02 2 1059 99 99 ASP C C 176.148 0.3 1 1060 99 99 ASP CA C 53.990 0.3 1 1061 99 99 ASP CB C 40.960 0.3 1 1062 99 99 ASP N N 117.808 0.3 1 1063 100 100 HIS H H 8.024 0.02 1 1064 100 100 HIS HA H 4.320 0.02 1 1065 100 100 HIS HB2 H 3.430 0.02 2 1066 100 100 HIS HB3 H 3.360 0.02 2 1067 100 100 HIS HD2 H 7.038 0.02 1 1068 100 100 HIS C C 173.455 0.3 1 1069 100 100 HIS CA C 57.860 0.3 1 1070 100 100 HIS CB C 27.780 0.3 1 1071 100 100 HIS N N 114.444 0.3 1 1072 101 101 ALA H H 7.647 0.02 1 1073 101 101 ALA HA H 4.190 0.02 1 1074 101 101 ALA HB H 1.575 0.02 1 1075 101 101 ALA C C 180.752 0.3 1 1076 101 101 ALA CA C 55.622 0.3 1 1077 101 101 ALA CB C 19.758 0.3 1 1078 101 101 ALA N N 123.871 0.3 1 1079 102 102 LEU H H 10.498 0.02 1 1080 102 102 LEU HA H 4.329 0.02 1 1081 102 102 LEU HB2 H 1.189 0.02 2 1082 102 102 LEU HB3 H 1.082 0.02 2 1083 102 102 LEU HG H 1.362 0.02 1 1084 102 102 LEU HD1 H 0.742 0.02 2 1085 102 102 LEU HD2 H -0.410 0.02 2 1086 102 102 LEU C C 180.334 0.3 1 1087 102 102 LEU CA C 57.250 0.3 1 1088 102 102 LEU CB C 42.210 0.3 1 1089 102 102 LEU CG C 26.665 0.3 1 1090 102 102 LEU CD1 C 23.876 0.3 1 1091 102 102 LEU CD2 C 24.407 0.3 1 1092 102 102 LEU N N 126.697 0.3 1 1093 103 103 THR H H 10.058 0.02 1 1094 103 103 THR HA H 3.770 0.02 1 1095 103 103 THR HB H 3.502 0.02 1 1096 103 103 THR HG2 H 1.073 0.02 1 1097 103 103 THR C C 176.608 0.3 1 1098 103 103 THR CA C 68.639 0.3 1 1099 103 103 THR CB C 68.639 0.3 1 1100 103 103 THR CG2 C 22.414 0.3 1 1101 103 103 THR N N 121.555 0.3 1 1102 104 104 ASP H H 8.150 0.02 1 1103 104 104 ASP HA H 4.492 0.02 1 1104 104 104 ASP HB2 H 2.926 0.02 2 1105 104 104 ASP HB3 H 2.630 0.02 2 1106 104 104 ASP C C 179.761 0.3 1 1107 104 104 ASP CA C 57.216 0.3 1 1108 104 104 ASP CB C 39.550 0.3 1 1109 104 104 ASP N N 121.544 0.3 1 1110 105 105 ALA H H 7.941 0.02 1 1111 105 105 ALA HA H 4.215 0.02 1 1112 105 105 ALA HB H 1.664 0.02 1 1113 105 105 ALA C C 180.146 0.3 1 1114 105 105 ALA CA C 55.225 0.3 1 1115 105 105 ALA CB C 18.297 0.3 1 1116 105 105 ALA N N 126.005 0.3 1 1117 106 106 PHE H H 8.605 0.02 1 1118 106 106 PHE HA H 3.970 0.02 1 1119 106 106 PHE HB2 H 2.888 0.02 2 1120 106 106 PHE HB3 H 2.532 0.02 2 1121 106 106 PHE HD1 H 6.672 0.02 3 1122 106 106 PHE HE1 H 6.766 0.02 3 1123 106 106 PHE C C 175.032 0.3 1 1124 106 106 PHE CA C 58.810 0.3 1 1125 106 106 PHE CB C 40.010 0.3 1 1126 106 106 PHE N N 117.400 0.3 1 1127 107 107 GLU H H 7.918 0.02 1 1128 107 107 GLU HA H 3.777 0.02 1 1129 107 107 GLU HB2 H 1.944 0.02 2 1130 107 107 GLU HB3 H 2.070 0.02 2 1131 107 107 GLU HG2 H 2.169 0.02 2 1132 107 107 GLU HG3 H 1.932 0.02 2 1133 107 107 GLU C C 175.592 0.3 1 1134 107 107 GLU CA C 56.817 0.3 1 1135 107 107 GLU CB C 27.650 0.3 1 1136 107 107 GLU CG C 33.466 0.3 1 1137 107 107 GLU N N 120.340 0.3 1 1138 108 108 ASN H H 8.015 0.02 1 1139 108 108 ASN HA H 4.229 0.02 1 1140 108 108 ASN HB2 H 1.615 0.02 2 1141 108 108 ASN HB3 H 2.093 0.02 2 1142 108 108 ASN HD21 H 6.025 0.02 2 1143 108 108 ASN HD22 H 7.357 0.02 2 1144 108 108 ASN C C 174.230 0.3 1 1145 108 108 ASN CA C 55.091 0.3 1 1146 108 108 ASN CB C 40.820 0.3 1 1147 108 108 ASN N N 116.171 0.3 1 1148 108 108 ASN ND2 N 116.764 0.3 1 1149 109 109 GLU H H 8.297 0.02 1 1150 109 109 GLU HA H 4.000 0.02 1 1151 109 109 GLU HB2 H 1.354 0.02 2 1152 109 109 GLU HG2 H 1.851 0.02 2 1153 109 109 GLU HG3 H 1.672 0.02 2 1154 109 109 GLU C C 175.452 0.3 1 1155 109 109 GLU CA C 57.216 0.3 1 1156 109 109 GLU CB C 32.111 0.3 1 1157 109 109 GLU CG C 36.362 0.3 1 1158 109 109 GLU N N 126.336 0.3 1 1159 110 110 TYR H H 7.910 0.02 1 1160 110 110 TYR HA H 4.838 0.02 1 1161 110 110 TYR HB2 H 3.069 0.02 2 1162 110 110 TYR HB3 H 2.678 0.02 2 1163 110 110 TYR HD1 H 7.092 0.02 3 1164 110 110 TYR HE1 H 6.780 0.02 3 1165 110 110 TYR C C 174.716 0.3 1 1166 110 110 TYR CA C 56.460 0.3 1 1167 110 110 TYR CB C 41.675 0.3 1 1168 110 110 TYR CD1 C 133.789 0.3 3 1169 110 110 TYR N N 117.920 0.3 1 1170 111 111 VAL H H 8.068 0.02 1 1171 111 111 VAL HA H 4.376 0.02 1 1172 111 111 VAL HB H 1.900 0.02 1 1173 111 111 VAL HG1 H 0.744 0.02 2 1174 111 111 VAL HG2 H 0.851 0.02 2 1175 111 111 VAL C C 173.631 0.3 1 1176 111 111 VAL CA C 58.411 0.3 1 1177 111 111 VAL CB C 34.900 0.3 1 1178 111 111 VAL CG1 C 23.743 0.3 1 1179 111 111 VAL CG2 C 18.297 0.3 1 1180 111 111 VAL N N 111.944 0.3 1 1181 112 112 PRO HA H 4.772 0.02 1 1182 112 112 PRO HB2 H 2.906 0.02 2 1183 112 112 PRO HB3 H 1.910 0.02 2 1184 112 112 PRO HG2 H 1.876 0.02 2 1185 112 112 PRO HG3 H 1.888 0.02 2 1186 112 112 PRO HD2 H 3.615 0.02 2 1187 112 112 PRO HD3 H 3.475 0.02 2 1188 112 112 PRO C C 175.452 0.3 1 1189 112 112 PRO CA C 62.750 0.3 1 1190 112 112 PRO CB C 34.950 0.3 1 1191 112 112 PRO CG C 24.595 0.3 1 1192 112 112 PRO CD C 50.309 0.3 1 1193 113 113 ALA H H 7.392 0.02 1 1194 113 113 ALA HA H 4.814 0.02 1 1195 113 113 ALA HB H 1.689 0.02 1 1196 113 113 ALA C C 175.487 0.3 1 1197 113 113 ALA CA C 52.310 0.3 1 1198 113 113 ALA CB C 25.071 0.3 1 1199 113 113 ALA N N 120.208 0.3 1 1200 114 114 TYR H H 8.791 0.02 1 1201 114 114 TYR HA H 5.207 0.02 1 1202 114 114 TYR HB2 H 2.720 0.02 2 1203 114 114 TYR HB3 H 2.583 0.02 2 1204 114 114 TYR HD1 H 6.843 0.02 3 1205 114 114 TYR C C 172.965 0.3 1 1206 114 114 TYR CA C 57.614 0.3 1 1207 114 114 TYR CB C 41.300 0.3 1 1208 114 114 TYR N N 119.754 0.3 1 1209 115 115 TYR H H 9.428 0.02 1 1210 115 115 TYR HA H 5.054 0.02 1 1211 115 115 TYR HB2 H 3.522 0.02 2 1212 115 115 TYR HB3 H 2.907 0.02 2 1213 115 115 TYR HD1 H 7.324 0.02 3 1214 115 115 TYR C C 174.366 0.3 1 1215 115 115 TYR CA C 57.482 0.3 1 1216 115 115 TYR CB C 41.277 0.3 1 1217 115 115 TYR N N 121.871 0.3 1 1218 116 116 VAL H H 9.072 0.02 1 1219 116 116 VAL HA H 5.048 0.02 1 1220 116 116 VAL HB H 2.107 0.02 1 1221 116 116 VAL HG1 H 0.856 0.02 2 1222 116 116 VAL HG2 H 0.831 0.02 2 1223 116 116 VAL C C 174.436 0.3 1 1224 116 116 VAL CA C 61.334 0.3 1 1225 116 116 VAL CB C 33.307 0.3 1 1226 116 116 VAL CG1 C 21.751 0.3 1 1227 116 116 VAL CG2 C 21.423 0.3 1 1228 116 116 VAL N N 122.316 0.3 1 1229 117 117 PHE H H 10.151 0.02 1 1230 117 117 PHE HA H 5.302 0.02 1 1231 117 117 PHE HB2 H 3.045 0.02 2 1232 117 117 PHE HB3 H 2.874 0.02 2 1233 117 117 PHE HD1 H 7.208 0.02 3 1234 117 117 PHE HE1 H 7.281 0.02 3 1235 117 117 PHE C C 176.328 0.3 1 1236 117 117 PHE CA C 56.286 0.3 1 1237 117 117 PHE CB C 42.070 0.3 1 1238 117 117 PHE N N 129.295 0.3 1 1239 118 118 ASP H H 8.573 0.02 1 1240 118 118 ASP HA H 4.640 0.02 1 1241 118 118 ASP HB2 H 3.640 0.02 2 1242 118 118 ASP HB3 H 2.753 0.02 2 1243 118 118 ASP C C 178.465 0.3 1 1244 118 118 ASP CA C 53.040 0.3 1 1245 118 118 ASP CB C 41.675 0.3 1 1246 118 118 ASP N N 118.860 0.3 1 1247 119 119 LYS H H 9.406 0.02 1 1248 119 119 LYS HA H 4.220 0.02 1 1249 119 119 LYS HB2 H 1.663 0.02 2 1250 119 119 LYS HB3 H 1.316 0.02 2 1251 119 119 LYS HG2 H 1.110 0.02 2 1252 119 119 LYS HG3 H 1.493 0.02 2 1253 119 119 LYS HD2 H 1.525 0.02 2 1254 119 119 LYS HD3 H 1.582 0.02 2 1255 119 119 LYS HE2 H 2.763 0.02 2 1256 119 119 LYS HE3 H 2.935 0.02 2 1257 119 119 LYS C C 176.083 0.3 1 1258 119 119 LYS CA C 58.540 0.3 1 1259 119 119 LYS CB C 32.100 0.3 1 1260 119 119 LYS CG C 23.876 0.3 1 1261 119 119 LYS CD C 29.853 0.3 1 1262 119 119 LYS CE C 41.941 0.3 1 1263 119 119 LYS N N 118.796 0.3 1 1264 120 120 THR H H 8.304 0.02 1 1265 120 120 THR HA H 4.569 0.02 1 1266 120 120 THR HB H 4.427 0.02 1 1267 120 120 THR HG2 H 1.186 0.02 1 1268 120 120 THR C C 175.907 0.3 1 1269 120 120 THR CA C 61.865 0.3 1 1270 120 120 THR CB C 69.569 0.3 1 1271 120 120 THR CG2 C 22.282 0.3 1 1272 120 120 THR N N 111.425 0.3 1 1273 121 121 GLY H H 8.575 0.02 1 1274 121 121 GLY HA2 H 4.277 0.02 2 1275 121 121 GLY HA3 H 3.520 0.02 2 1276 121 121 GLY C C 172.650 0.3 1 1277 121 121 GLY CA C 45.660 0.3 1 1278 121 121 GLY N N 110.260 0.3 1 1279 122 122 GLN H H 7.892 0.02 1 1280 122 122 GLN HA H 4.609 0.02 1 1281 122 122 GLN HB2 H 2.064 0.02 2 1282 122 122 GLN HB3 H 1.665 0.02 2 1283 122 122 GLN HG2 H 2.312 0.02 2 1284 122 122 GLN HG3 H 2.056 0.02 2 1285 122 122 GLN HE21 H 7.605 0.02 2 1286 122 122 GLN HE22 H 6.650 0.02 2 1287 122 122 GLN C C 177.659 0.3 1 1288 122 122 GLN CA C 55.356 0.3 1 1289 122 122 GLN CB C 30.600 0.3 1 1290 122 122 GLN CG C 34.502 0.3 1 1291 122 122 GLN N N 120.341 0.3 1 1292 122 122 GLN NE2 N 111.138 0.3 1 1293 123 123 LEU H H 8.764 0.02 1 1294 123 123 LEU HA H 3.681 0.02 1 1295 123 123 LEU HB2 H 1.990 0.02 2 1296 123 123 LEU HB3 H 1.385 0.02 2 1297 123 123 LEU HG H 1.261 0.02 1 1298 123 123 LEU HD1 H 0.813 0.02 2 1299 123 123 LEU HD2 H 0.525 0.02 2 1300 123 123 LEU C C 177.274 0.3 1 1301 123 123 LEU CA C 56.817 0.3 1 1302 123 123 LEU CB C 40.880 0.3 1 1303 123 123 LEU CG C 27.259 0.3 1 1304 123 123 LEU CD1 C 26.134 0.3 1 1305 123 123 LEU CD2 C 24.009 0.3 1 1306 123 123 LEU N N 124.997 0.3 1 1307 124 124 ARG H H 9.516 0.02 1 1308 124 124 ARG HA H 4.800 0.02 1 1309 124 124 ARG HB2 H 1.471 0.02 2 1310 124 124 ARG HB3 H 1.978 0.02 2 1311 124 124 ARG HG2 H 1.681 0.02 2 1312 124 124 ARG HG3 H 1.900 0.02 2 1313 124 124 ARG HD2 H 3.030 0.02 2 1314 124 124 ARG HD3 H 3.395 0.02 2 1315 124 124 ARG C C 176.503 0.3 1 1316 124 124 ARG CA C 53.340 0.3 1 1317 124 124 ARG CB C 31.430 0.3 1 1318 124 124 ARG CG C 26.916 0.3 1 1319 124 124 ARG CD C 40.008 0.3 1 1320 124 124 ARG N N 126.768 0.3 1 1321 125 125 HIS H H 7.621 0.02 1 1322 125 125 HIS HA H 4.796 0.02 1 1323 125 125 HIS HB2 H 3.170 0.02 2 1324 125 125 HIS HB3 H 2.302 0.02 2 1325 125 125 HIS HD2 H 6.240 0.02 1 1326 125 125 HIS C C 171.038 0.3 1 1327 125 125 HIS CA C 57.310 0.3 1 1328 125 125 HIS CB C 34.237 0.3 1 1329 125 125 HIS N N 117.061 0.3 1 1330 126 126 PHE H H 7.270 0.02 1 1331 126 126 PHE HA H 5.310 0.02 1 1332 126 126 PHE HB2 H 2.750 0.02 2 1333 126 126 PHE HB3 H 2.401 0.02 2 1334 126 126 PHE HD1 H 6.344 0.02 3 1335 126 126 PHE HE1 H 7.054 0.02 3 1336 126 126 PHE C C 172.930 0.3 1 1337 126 126 PHE CA C 54.692 0.3 1 1338 126 126 PHE CB C 43.300 0.3 1 1339 126 126 PHE CD1 C 132.290 0.3 3 1340 126 126 PHE N N 127.438 0.3 1 1341 127 127 GLN H H 7.727 0.02 1 1342 127 127 GLN HA H 3.803 0.02 1 1343 127 127 GLN HB2 H 1.818 0.02 2 1344 127 127 GLN HB3 H 1.927 0.02 2 1345 127 127 GLN C C 171.354 0.3 1 1346 127 127 GLN CA C 54.490 0.3 1 1347 127 127 GLN CB C 33.050 0.3 1 1348 127 127 GLN CG C 36.329 0.3 1 1349 127 127 GLN N N 120.425 0.3 1 1350 128 128 ALA H H 8.344 0.02 1 1351 128 128 ALA HA H 4.869 0.02 1 1352 128 128 ALA HB H 1.356 0.02 1 1353 128 128 ALA C C 177.274 0.3 1 1354 128 128 ALA CA C 51.260 0.3 1 1355 128 128 ALA CB C 22.680 0.3 1 1356 128 128 ALA N N 123.575 0.3 1 1357 129 129 GLY H H 8.257 0.02 1 1358 129 129 GLY HA2 H 3.787 0.02 2 1359 129 129 GLY HA3 H 4.411 0.02 2 1360 129 129 GLY C C 175.032 0.3 1 1361 129 129 GLY CA C 44.464 0.3 1 1362 129 129 GLY N N 106.738 0.3 1 1363 130 130 GLY H H 8.743 0.02 1 1364 130 130 GLY HA2 H 3.872 0.02 2 1365 130 130 GLY HA3 H 4.077 0.02 2 1366 130 130 GLY CA C 45.660 0.3 1 1367 130 130 GLY N N 107.774 0.3 1 1368 131 131 SER HA H 4.350 0.02 1 1369 131 131 SER HB2 H 3.860 0.02 2 1370 131 131 SER HB3 H 4.060 0.02 2 1371 131 131 SER CA C 58.411 0.3 1 1372 131 131 SER CB C 63.060 0.3 1 1373 132 132 GLY H H 8.715 0.02 1 1374 132 132 GLY HA2 H 4.067 0.02 2 1375 132 132 GLY HA3 H 3.896 0.02 2 1376 132 132 GLY CA C 46.324 0.3 1 1377 132 132 GLY N N 123.250 0.3 1 1378 133 133 MET HA H 4.346 0.02 1 1379 133 133 MET HB2 H 1.914 0.02 2 1380 133 133 MET HB3 H 1.984 0.02 2 1381 133 133 MET HG2 H 2.477 0.02 2 1382 133 133 MET HG3 H 2.539 0.02 2 1383 133 133 MET HE H 1.418 0.02 1 1384 133 133 MET CG C 31.712 0.3 1 1385 133 133 MET CE C 17.899 0.3 1 1386 134 134 LYS HD2 H 1.421 0.02 2 1387 134 134 LYS HD3 H 0.125 0.02 2 1388 134 134 LYS HE2 H 2.752 0.02 2 1389 134 134 LYS HE3 H 2.902 0.02 2 1390 134 134 LYS CA C 57.350 0.3 1 1391 134 134 LYS CB C 32.260 0.3 1 1392 134 134 LYS CD C 25.602 0.3 1 1393 134 134 LYS CE C 41.675 0.3 1 1394 135 135 MET H H 7.720 0.02 1 1395 135 135 MET HA H 4.110 0.02 1 1396 135 135 MET HB2 H 2.477 0.02 2 1397 135 135 MET HB3 H 2.393 0.02 2 1398 135 135 MET HE H 2.070 0.02 1 1399 135 135 MET CA C 57.910 0.3 1 1400 135 135 MET CB C 31.720 0.3 1 1401 135 135 MET CG C 36.748 0.3 1 1402 135 135 MET CE C 16.836 0.3 1 1403 135 135 MET N N 120.748 0.3 1 1404 136 136 LEU H H 7.482 0.02 1 1405 136 136 LEU HA H 3.619 0.02 1 1406 136 136 LEU HB2 H 1.728 0.02 2 1407 136 136 LEU HB3 H 1.142 0.02 2 1408 136 136 LEU HG H 1.148 0.02 1 1409 136 136 LEU HD1 H 0.534 0.02 2 1410 136 136 LEU HD2 H 0.125 0.02 2 1411 136 136 LEU C C 178.184 0.3 1 1412 136 136 LEU CA C 58.411 0.3 1 1413 136 136 LEU CB C 40.770 0.3 1 1414 136 136 LEU CG C 26.533 0.3 1 1415 136 136 LEU CD1 C 23.610 0.3 1 1416 136 136 LEU CD2 C 25.470 0.3 1 1417 136 136 LEU N N 121.530 0.3 1 1418 137 137 GLU H H 8.137 0.02 1 1419 137 137 GLU HA H 3.492 0.02 1 1420 137 137 GLU HB2 H 2.154 0.02 2 1421 137 137 GLU HB3 H 2.071 0.02 2 1422 137 137 GLU HG2 H 1.945 0.02 2 1423 137 137 GLU C C 177.974 0.3 1 1424 137 137 GLU CA C 60.005 0.3 1 1425 137 137 GLU CB C 29.530 0.3 1 1426 137 137 GLU CG C 36.137 0.3 1 1427 137 137 GLU N N 119.080 0.3 1 1428 138 138 LYS H H 7.650 0.02 1 1429 138 138 LYS HA H 3.998 0.02 1 1430 138 138 LYS HB2 H 1.926 0.02 2 1431 138 138 LYS HB3 H 1.859 0.02 2 1432 138 138 LYS HG2 H 1.396 0.02 2 1433 138 138 LYS HG3 H 1.558 0.02 2 1434 138 138 LYS HD2 H 1.652 0.02 2 1435 138 138 LYS HE2 H 2.885 0.02 2 1436 138 138 LYS C C 180.041 0.3 1 1437 138 138 LYS CA C 59.740 0.3 1 1438 138 138 LYS CB C 32.310 0.3 1 1439 138 138 LYS CG C 25.213 0.3 1 1440 138 138 LYS CD C 29.450 0.3 1 1441 138 138 LYS CE C 42.142 0.3 1 1442 138 138 LYS N N 119.080 0.3 1 1443 139 139 ARG H H 7.947 0.02 1 1444 139 139 ARG HA H 3.888 0.02 1 1445 139 139 ARG HB2 H 1.504 0.02 2 1446 139 139 ARG HB3 H 1.200 0.02 2 1447 139 139 ARG HG2 H 1.401 0.02 2 1448 139 139 ARG HD2 H 2.896 0.02 2 1449 139 139 ARG HD3 H 2.751 0.02 2 1450 139 139 ARG C C 179.410 0.3 1 1451 139 139 ARG CA C 57.349 0.3 1 1452 139 139 ARG CB C 29.040 0.3 1 1453 139 139 ARG CG C 25.600 0.3 1 1454 139 139 ARG CD C 41.750 0.3 1 1455 139 139 ARG N N 118.820 0.3 1 1456 140 140 VAL H H 8.556 0.02 1 1457 140 140 VAL HA H 3.342 0.02 1 1458 140 140 VAL HB H 1.944 0.02 1 1459 140 140 VAL HG1 H 0.762 0.02 2 1460 140 140 VAL HG2 H 0.483 0.02 2 1461 140 140 VAL C C 177.204 0.3 1 1462 140 140 VAL CA C 67.178 0.3 1 1463 140 140 VAL CB C 31.314 0.3 1 1464 140 140 VAL CG1 C 24.010 0.3 1 1465 140 140 VAL CG2 C 21.485 0.3 1 1466 140 140 VAL N N 121.640 0.3 1 1467 141 141 ASN H H 8.463 0.02 1 1468 141 141 ASN HA H 4.277 0.02 1 1469 141 141 ASN HB2 H 2.880 0.02 2 1470 141 141 ASN HB3 H 2.703 0.02 2 1471 141 141 ASN HD21 H 7.360 0.02 2 1472 141 141 ASN HD22 H 7.132 0.02 2 1473 141 141 ASN C C 178.149 0.3 1 1474 141 141 ASN CA C 56.685 0.3 1 1475 141 141 ASN CB C 38.090 0.3 1 1476 141 141 ASN N N 118.610 0.3 1 1477 141 141 ASN ND2 N 111.607 0.3 1 1478 142 142 ARG H H 7.686 0.02 1 1479 142 142 ARG HA H 4.105 0.02 1 1480 142 142 ARG HB2 H 2.151 0.02 2 1481 142 142 ARG HB3 H 1.944 0.02 2 1482 142 142 ARG HG2 H 1.727 0.02 2 1483 142 142 ARG HG3 H 1.720 0.02 2 1484 142 142 ARG HD2 H 3.157 0.02 2 1485 142 142 ARG C C 178.675 0.3 1 1486 142 142 ARG CA C 59.180 0.3 1 1487 142 142 ARG CB C 29.550 0.3 1 1488 142 142 ARG CG C 27.007 0.3 1 1489 142 142 ARG CD C 43.268 0.3 1 1490 142 142 ARG N N 120.000 0.3 1 1491 143 143 VAL H H 7.510 0.02 1 1492 143 143 VAL HA H 3.889 0.02 1 1493 143 143 VAL HB H 2.164 0.02 1 1494 143 143 VAL HG1 H 0.968 0.02 2 1495 143 143 VAL HG2 H 0.953 0.02 2 1496 143 143 VAL C C 178.990 0.3 1 1497 143 143 VAL CA C 65.584 0.3 1 1498 143 143 VAL CB C 31.712 0.3 1 1499 143 143 VAL CG1 C 22.680 0.3 1 1500 143 143 VAL CG2 C 21.751 0.3 1 1501 143 143 VAL N N 118.570 0.3 1 1502 144 144 LEU H H 8.282 0.02 1 1503 144 144 LEU HA H 4.105 0.02 1 1504 144 144 LEU HB2 H 1.471 0.02 2 1505 144 144 LEU HB3 H 1.870 0.02 2 1506 144 144 LEU HG H 1.610 0.02 1 1507 144 144 LEU HD1 H 0.828 0.02 2 1508 144 144 LEU HD2 H 0.530 0.02 2 1509 144 144 LEU C C 178.394 0.3 1 1510 144 144 LEU CA C 57.420 0.3 1 1511 144 144 LEU CB C 41.941 0.3 1 1512 144 144 LEU CG C 27.004 0.3 1 1513 144 144 LEU CD1 C 24.009 0.3 1 1514 144 144 LEU CD2 C 25.970 0.3 1 1515 144 144 LEU N N 121.460 0.3 1 1516 145 145 ALA H H 7.594 0.02 1 1517 145 145 ALA HA H 4.324 0.02 1 1518 145 145 ALA HB H 1.494 0.02 1 1519 145 145 ALA C C 178.149 0.3 1 1520 145 145 ALA CA C 52.965 0.3 1 1521 145 145 ALA CB C 19.094 0.3 1 1522 145 145 ALA N N 120.261 0.3 1 1523 146 146 GLU H H 7.571 0.02 1 1524 146 146 GLU HA H 4.295 0.02 1 1525 146 146 GLU HB2 H 2.185 0.02 2 1526 146 146 GLU HG2 H 2.580 0.02 2 1527 146 146 GLU HG3 H 2.333 0.02 2 1528 146 146 GLU C C 176.853 0.3 1 1529 146 146 GLU CA C 57.216 0.3 1 1530 146 146 GLU CB C 29.540 0.3 1 1531 146 146 GLU CG C 36.565 0.3 1 1532 146 146 GLU N N 118.654 0.3 1 1533 147 147 THR H H 8.022 0.02 1 1534 147 147 THR HA H 4.410 0.02 1 1535 147 147 THR HB H 4.351 0.02 1 1536 147 147 THR HG2 H 1.266 0.02 1 1537 147 147 THR C C 173.876 0.3 1 1538 147 147 THR CA C 61.865 0.3 1 1539 147 147 THR CB C 69.968 0.3 1 1540 147 147 THR CG2 C 21.689 0.3 1 1541 147 147 THR N N 115.356 0.3 1 1542 148 148 GLU H H 7.997 0.02 1 1543 148 148 GLU HA H 4.187 0.02 1 1544 148 148 GLU HB2 H 2.060 0.02 2 1545 148 148 GLU HB3 H 1.916 0.02 2 1546 148 148 GLU HG2 H 2.214 0.02 2 1547 148 148 GLU C C 175.297 0.3 1 1548 148 148 GLU CA C 58.410 0.3 1 1549 148 148 GLU CB C 31.220 0.3 1 1550 148 148 GLU CG C 36.827 0.3 1 1551 148 148 GLU N N 128.953 0.3 1 stop_ save_