data_6847 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR assignments of a thioredoxin-like protein in the oxidized state ; _BMRB_accession_number 6847 _BMRB_flat_file_name bmr6847.str _Entry_type original _Submission_date 2005-09-30 _Accession_date 2005-09-30 _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 Xinxin Zhang . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 816 "13C chemical shifts" 600 "15N chemical shifts" 147 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-02-06 original author . stop_ _Original_release_date 2007-02-06 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; The bacillus subtilis YKUV is a thiol-disulfide oxidoreductase revealed by its redox structures and activity ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16418167 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhang Xinxin . . 2 Hu Yunfei . . 3 Guo Xianrong . . 4 Lescop Ewen . . 5 Li You . . 6 Xia Bin . . 7 Jin Changwen . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 281 _Journal_issue 12 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 8296 _Page_last 8304 _Year 2006 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name trxy _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label trxy $thioredoxin_like_protein stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all disulfide bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_thioredoxin_like_protein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common trxy _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _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 6603 ykuV 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 $thioredoxin_like_protein '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 $thioredoxin_like_protein '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 $thioredoxin_like_protein 1 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_CBCA(CO)NH_1 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_HN(CA)CO_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label . save_ save_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_H(CCH)-COSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCH)-COSY _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 298.4 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name trxy _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 3.980 0.02 1 2 1 1 MET HB2 H 1.869 0.02 2 3 1 1 MET HB3 H 1.926 0.02 2 4 1 1 MET HG2 H 2.521 0.02 2 5 1 1 MET HG3 H 2.474 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 55.730 0.3 1 9 1 1 MET CB C 35.150 0.3 1 10 1 1 MET CG C 31.612 0.3 1 11 1 1 MET CE C 17.500 0.3 1 12 2 2 LYS H H 8.234 0.02 1 13 2 2 LYS HA H 4.484 0.02 1 14 2 2 LYS HB2 H 1.611 0.02 2 15 2 2 LYS HB3 H 1.877 0.02 2 16 2 2 LYS HG2 H 1.445 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 54.480 0.3 1 20 2 2 LYS CB C 34.635 0.3 1 21 2 2 LYS CG C 24.979 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 0.02 1 25 3 3 LEU H H 8.373 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 0.02 1 39 4 4 ARG H H 9.282 0.02 1 40 4 4 ARG HA H 3.670 0.02 1 41 4 4 ARG HB2 H 2.280 0.02 2 42 4 4 ARG HB3 H 2.060 0.02 2 43 4 4 ARG HG2 H 1.647 0.02 2 44 4 4 ARG HG3 H 1.478 0.02 2 45 4 4 ARG HD2 H 3.161 0.02 2 46 4 4 ARG HD3 H 3.211 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 26.730 0.3 1 50 4 4 ARG CG C 28.000 0.3 1 51 4 4 ARG CD C 42.833 0.3 1 52 4 4 ARG N N 114.375 0.02 1 53 5 5 GLN H H 7.745 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 2.250 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 0.02 1 65 5 5 GLN NE2 N 113.951 0.02 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 50.730 0.3 1 78 7 7 MET H H 8.570 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 1.269 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 0.02 1 91 8 8 PRO HA H 4.365 0.02 1 92 8 8 PRO HB2 H 2.218 0.02 2 93 8 8 PRO HB3 H 1.661 0.02 2 94 8 8 PRO HG2 H 1.424 0.02 2 95 8 8 PRO HG3 H 1.145 0.02 2 96 8 8 PRO HD2 H 2.695 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 26.979 0.3 1 102 8 8 PRO CD C 50.982 0.3 1 103 9 9 GLU H H 7.970 0.02 1 104 9 9 GLU HA H 3.867 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 57.480 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 116.299 0.02 1 114 10 10 LEU H H 8.500 0.02 1 115 10 10 LEU HA H 4.495 0.02 1 116 10 10 LEU HB2 H 1.560 0.02 2 117 10 10 LEU HB3 H 2.105 0.02 2 118 10 10 LEU HG H 1.644 0.02 1 119 10 10 LEU HD1 H 0.856 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 53.230 0.3 1 123 10 10 LEU CB C 39.980 0.3 1 124 10 10 LEU CG C 27.230 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 0.02 1 128 11 11 THR H H 7.336 0.02 1 129 11 11 THR HA H 4.989 0.02 1 130 11 11 THR HB H 4.179 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 70.731 0.3 1 135 11 11 THR CG2 C 20.626 0.3 1 136 11 11 THR N N 116.049 0.02 1 137 12 12 GLY H H 8.600 0.02 1 138 12 12 GLY HA2 H 4.173 0.02 2 139 12 12 GLY HA3 H 3.729 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 0.02 1 143 13 13 GLU H H 7.807 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 56.312 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 121.168 0.02 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 1.660 0.02 2 154 14 14 LYS HB3 H 1.860 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 32.480 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 0.02 1 163 15 15 ALA H H 7.196 0.02 1 164 15 15 ALA HA H 4.367 0.02 1 165 15 15 ALA HB H 1.138 0.02 1 166 15 15 ALA CA C 51.730 0.3 1 167 15 15 ALA CB C 21.522 0.3 1 168 15 15 ALA N N 117.936 0.02 1 169 16 16 TRP H H 8.433 0.02 1 170 16 16 TRP HA H 5.439 0.02 1 171 16 16 TRP HB2 H 3.392 0.02 2 172 16 16 TRP HB3 H 2.813 0.02 2 173 16 16 TRP HD1 H 7.125 0.02 1 174 16 16 TRP HE1 H 9.913 0.02 1 175 16 16 TRP HE3 H 7.705 0.02 1 176 16 16 TRP HZ2 H 7.729 0.02 1 177 16 16 TRP C C 177.348 0.3 1 178 16 16 TRP CA C 56.730 0.3 1 179 16 16 TRP CB C 31.730 0.3 1 180 16 16 TRP N N 120.280 0.02 1 181 16 16 TRP NE1 N 129.422 0.02 1 182 17 17 LEU H H 9.545 0.02 1 183 17 17 LEU HA H 4.840 0.02 1 184 17 17 LEU HB2 H 1.780 0.02 2 185 17 17 LEU HB3 H 1.546 0.02 2 186 17 17 LEU HG H 1.552 0.02 1 187 17 17 LEU HD1 H 0.765 0.02 2 188 17 17 LEU HD2 H 0.906 0.02 2 189 17 17 LEU C C 177.348 0.3 1 190 17 17 LEU CA C 53.360 0.3 1 191 17 17 LEU CB C 43.980 0.3 1 192 17 17 LEU CG C 27.064 0.3 1 193 17 17 LEU CD1 C 25.479 0.3 1 194 17 17 LEU CD2 C 22.946 0.3 1 195 17 17 LEU N N 122.862 0.02 1 196 18 18 ASN H H 8.957 0.02 1 197 18 18 ASN HA H 4.246 0.02 1 198 18 18 ASN HB2 H 3.480 0.02 2 199 18 18 ASN HB3 H 2.807 0.02 2 200 18 18 ASN HD21 H 7.590 0.02 2 201 18 18 ASN HD22 H 6.404 0.02 2 202 18 18 ASN C C 174.780 0.3 1 203 18 18 ASN CA C 54.980 0.3 1 204 18 18 ASN CB C 36.729 0.3 1 205 18 18 ASN N N 114.890 0.02 1 206 18 18 ASN ND2 N 115.128 0.02 1 207 19 19 GLY H H 8.145 0.02 1 208 19 19 GLY HA2 H 4.116 0.02 2 209 19 19 GLY HA3 H 3.500 0.02 2 210 19 19 GLY C C 169.623 0.3 1 211 19 19 GLY CA C 44.480 0.3 1 212 19 19 GLY N N 109.477 0.02 1 213 20 20 GLU H H 7.395 0.02 1 214 20 20 GLU HA H 2.758 0.02 1 215 20 20 GLU HB2 H 1.133 0.02 2 216 20 20 GLU HB3 H 1.070 0.02 2 217 20 20 GLU HG2 H 1.633 0.02 2 218 20 20 GLU HG3 H 1.491 0.02 2 219 20 20 GLU C C 175.429 0.3 1 220 20 20 GLU CA C 54.980 0.3 1 221 20 20 GLU CB C 30.980 0.3 1 222 20 20 GLU CG C 35.011 0.3 1 223 20 20 GLU N N 116.299 0.02 1 224 21 21 VAL H H 4.897 0.02 1 225 21 21 VAL HA H 4.477 0.02 1 226 21 21 VAL HB H 1.645 0.02 1 227 21 21 VAL HG1 H 0.719 0.02 2 228 21 21 VAL HG2 H 0.664 0.02 2 229 21 21 VAL CA C 59.341 0.3 1 230 21 21 VAL CB C 35.432 0.3 1 231 21 21 VAL CG1 C 21.618 0.3 1 232 21 21 VAL CG2 C 20.820 0.3 1 233 22 22 THR H H 7.500 0.02 1 234 22 22 THR HA H 4.778 0.02 1 235 22 22 THR HB H 4.607 0.02 1 236 22 22 THR HG2 H 1.180 0.02 1 237 22 22 THR C C 174.996 0.3 1 238 22 22 THR CA C 59.050 0.3 1 239 22 22 THR CB C 71.981 0.3 1 240 22 22 THR CG2 C 21.689 0.3 1 241 22 22 THR N N 111.650 0.02 1 242 23 23 ARG H H 9.265 0.02 1 243 23 23 ARG HA H 3.851 0.02 1 244 23 23 ARG HB2 H 1.796 0.02 2 245 23 23 ARG HG2 H 1.703 0.02 2 246 23 23 ARG HG3 H 1.469 0.02 2 247 23 23 ARG HD2 H 3.185 0.02 2 248 23 23 ARG C C 177.658 0.3 1 249 23 23 ARG CA C 60.135 0.3 1 250 23 23 ARG CB C 30.510 0.3 1 251 23 23 ARG CG C 27.158 0.3 1 252 23 23 ARG CD C 43.455 0.3 1 253 23 23 ARG N N 122.545 0.02 1 254 24 24 GLU H H 8.330 0.02 1 255 24 24 GLU HA H 3.905 0.02 1 256 24 24 GLU HB2 H 2.029 0.02 2 257 24 24 GLU HB3 H 1.950 0.02 2 258 24 24 GLU HG2 H 2.374 0.02 2 259 24 24 GLU HG3 H 2.249 0.02 2 260 24 24 GLU C C 178.515 0.3 1 261 24 24 GLU CA C 59.730 0.3 1 262 24 24 GLU CB C 29.229 0.3 1 263 24 24 GLU CG C 37.230 0.3 1 264 24 24 GLU N N 115.819 0.02 1 265 25 25 GLN H H 7.475 0.02 1 266 25 25 GLN HA H 4.155 0.02 1 267 25 25 GLN HB2 H 2.231 0.02 2 268 25 25 GLN HB3 H 2.022 0.02 2 269 25 25 GLN HG2 H 2.347 0.02 2 270 25 25 GLN HG3 H 2.405 0.02 2 271 25 25 GLN HE21 H 6.813 0.02 2 272 25 25 GLN HE22 H 7.425 0.02 2 273 25 25 GLN C C 177.516 0.3 1 274 25 25 GLN CA C 57.230 0.3 1 275 25 25 GLN CB C 29.480 0.3 1 276 25 25 GLN CG C 34.103 0.3 1 277 25 25 GLN N N 116.670 0.02 1 278 25 25 GLN NE2 N 111.607 0.02 1 279 26 26 LEU H H 7.650 0.02 1 280 26 26 LEU HA H 4.156 0.02 1 281 26 26 LEU HB2 H 1.719 0.02 2 282 26 26 LEU HG H 1.787 0.02 1 283 26 26 LEU HD1 H 0.667 0.02 2 284 26 26 LEU HD2 H 0.738 0.02 2 285 26 26 LEU C C 178.729 0.3 1 286 26 26 LEU CA C 55.490 0.3 1 287 26 26 LEU CB C 42.230 0.3 1 288 26 26 LEU CG C 25.979 0.3 1 289 26 26 LEU CD1 C 21.980 0.3 1 290 26 26 LEU CD2 C 26.729 0.3 1 291 26 26 LEU N N 120.005 0.02 1 292 27 27 ILE H H 7.298 0.02 1 293 27 27 ILE HA H 4.294 0.02 1 294 27 27 ILE HB H 1.703 0.02 1 295 27 27 ILE HG12 H 1.057 0.02 1 296 27 27 ILE HG13 H 1.420 0.02 1 297 27 27 ILE HG2 H 0.806 0.02 1 298 27 27 ILE HD1 H 0.718 0.02 1 299 27 27 ILE C C 176.496 0.3 1 300 27 27 ILE CA C 60.730 0.3 1 301 27 27 ILE CB C 39.980 0.3 1 302 27 27 ILE CG1 C 27.000 0.3 1 303 27 27 ILE CG2 C 16.990 0.3 1 304 27 27 ILE CD1 C 13.479 0.3 1 305 27 27 ILE N N 118.820 0.02 1 306 28 28 GLY H H 8.777 0.02 1 307 28 28 GLY HA2 H 4.582 0.02 2 308 28 28 GLY HA3 H 3.508 0.02 2 309 28 28 GLY C C 174.756 0.3 1 310 28 28 GLY CA C 45.730 0.3 1 311 28 28 GLY N N 112.805 0.02 1 312 29 29 GLU H H 8.800 0.02 1 313 29 29 GLU HA H 4.556 0.02 1 314 29 29 GLU HB2 H 1.890 0.02 2 315 29 29 GLU HB3 H 2.062 0.02 2 316 29 29 GLU HG2 H 2.294 0.02 2 317 29 29 GLU HG3 H 2.177 0.02 2 318 29 29 GLU C C 175.405 0.3 1 319 29 29 GLU CA C 57.880 0.3 1 320 29 29 GLU CB C 33.480 0.3 1 321 29 29 GLU CG C 36.480 0.3 1 322 29 29 GLU N N 120.986 0.02 1 323 30 30 LYS H H 9.420 0.02 1 324 30 30 LYS HA H 4.900 0.02 1 325 30 30 LYS HB2 H 1.653 0.02 2 326 30 30 LYS HB3 H 1.925 0.02 2 327 30 30 LYS HG2 H 1.329 0.02 2 328 30 30 LYS HD2 H 1.345 0.02 2 329 30 30 LYS HD3 H 1.417 0.02 2 330 30 30 LYS HE2 H 3.022 0.02 2 331 30 30 LYS HE3 H 2.927 0.02 2 332 30 30 LYS C C 172.859 0.3 1 333 30 30 LYS CA C 53.900 0.3 1 334 30 30 LYS CB C 35.230 0.3 1 335 30 30 LYS CG C 24.673 0.3 1 336 30 30 LYS CD C 29.527 0.3 1 337 30 30 LYS CE C 42.137 0.3 1 338 30 30 LYS N N 122.626 0.02 1 339 31 31 PRO HA H 4.464 0.02 1 340 31 31 PRO HB2 H 2.483 0.02 2 341 31 31 PRO HB3 H 1.915 0.02 2 342 31 31 PRO HG2 H 1.897 0.02 2 343 31 31 PRO HD2 H 3.818 0.02 2 344 31 31 PRO HD3 H 4.248 0.02 2 345 31 31 PRO C C 174.692 0.3 1 346 31 31 PRO CA C 62.481 0.3 1 347 31 31 PRO CB C 33.440 0.3 1 348 31 31 PRO CG C 27.546 0.3 1 349 31 31 PRO CD C 50.308 0.3 1 350 32 32 THR H H 8.600 0.02 1 351 32 32 THR HA H 5.251 0.02 1 352 32 32 THR HB H 3.851 0.02 1 353 32 32 THR HG1 H 6.156 0.02 1 354 32 32 THR HG2 H 1.175 0.02 1 355 32 32 THR C C 172.842 0.3 1 356 32 32 THR CA C 62.231 0.3 1 357 32 32 THR CB C 72.890 0.3 1 358 32 32 THR CG2 C 22.480 0.3 1 359 32 32 THR N N 114.418 0.02 1 360 33 33 LEU H H 9.581 0.02 1 361 33 33 LEU HA H 5.625 0.02 1 362 33 33 LEU HB2 H 1.337 0.02 2 363 33 33 LEU HB3 H 2.251 0.02 2 364 33 33 LEU HG H 1.786 0.02 1 365 33 33 LEU HD1 H 0.935 0.02 2 366 33 33 LEU HD2 H 1.083 0.02 2 367 33 33 LEU C C 174.336 0.3 1 368 33 33 LEU CA C 53.480 0.3 1 369 33 33 LEU CB C 45.230 0.3 1 370 33 33 LEU CG C 28.392 0.3 1 371 33 33 LEU CD1 C 26.001 0.3 1 372 33 33 LEU CD2 C 24.938 0.3 1 373 33 33 LEU N N 130.111 0.02 1 374 34 34 ILE H H 9.785 0.02 1 375 34 34 ILE HA H 5.642 0.02 1 376 34 34 ILE HB H 2.127 0.02 1 377 34 34 ILE HG12 H 1.905 0.02 1 378 34 34 ILE HG13 H 1.145 0.02 1 379 34 34 ILE HG2 H 0.500 0.02 1 380 34 34 ILE HD1 H 0.850 0.02 1 381 34 34 ILE C C 175.429 0.3 1 382 34 34 ILE CA C 60.138 0.3 1 383 34 34 ILE CB C 39.730 0.3 1 384 34 34 ILE CG1 C 28.923 0.3 1 385 34 34 ILE CG2 C 17.500 0.3 1 386 34 34 ILE CD1 C 12.500 0.3 1 387 34 34 ILE N N 128.840 0.02 1 388 35 35 HIS H H 9.030 0.02 1 389 35 35 HIS HA H 6.248 0.02 1 390 35 35 HIS HB2 H 3.502 0.02 2 391 35 35 HIS HB3 H 2.986 0.02 2 392 35 35 HIS HD2 H 6.742 0.02 1 393 35 35 HIS C C 172.905 0.3 1 394 35 35 HIS CA C 52.434 0.3 1 395 35 35 HIS CB C 32.377 0.3 1 396 35 35 HIS N N 125.521 0.02 1 397 36 36 PHE H H 9.544 0.02 1 398 36 36 PHE HA H 5.545 0.02 1 399 36 36 PHE HB2 H 2.683 0.02 2 400 36 36 PHE HB3 H 3.100 0.02 2 401 36 36 PHE HD1 H 6.876 0.02 3 402 36 36 PHE HE1 H 6.733 0.02 3 403 36 36 PHE C C 175.485 0.3 1 404 36 36 PHE CA C 56.480 0.3 1 405 36 36 PHE CB C 42.510 0.3 1 406 36 36 PHE N N 124.802 0.02 1 407 37 37 TRP H H 9.466 0.02 1 408 37 37 TRP HA H 5.063 0.02 1 409 37 37 TRP HB2 H 2.871 0.02 2 410 37 37 TRP HB3 H 3.775 0.02 2 411 37 37 TRP HD1 H 6.935 0.02 1 412 37 37 TRP HE1 H 7.444 0.02 1 413 37 37 TRP HZ2 H 7.123 0.02 1 414 37 37 TRP C C 172.825 0.3 1 415 37 37 TRP CA C 55.230 0.3 1 416 37 37 TRP CB C 31.230 0.3 1 417 37 37 TRP N N 122.159 0.02 1 418 37 37 TRP NE1 N 122.393 0.02 1 419 38 38 SER H H 6.659 0.02 1 420 38 38 SER HA H 4.092 0.02 1 421 38 38 SER HB2 H 3.624 0.02 2 422 38 38 SER HB3 H 3.415 0.02 2 423 38 38 SER C C 176.888 0.3 1 424 38 38 SER CA C 56.730 0.3 1 425 38 38 SER CB C 66.230 0.3 1 426 38 38 SER N N 111.143 0.02 1 427 39 39 ILE H H 10.904 0.02 1 428 39 39 ILE HA H 4.119 0.02 1 429 39 39 ILE HB H 2.147 0.02 1 430 39 39 ILE HG12 H 1.308 0.02 1 431 39 39 ILE HG13 H 1.548 0.02 1 432 39 39 ILE HG2 H 1.076 0.02 1 433 39 39 ILE HD1 H 0.803 0.02 1 434 39 39 ILE C C 180.613 0.3 1 435 39 39 ILE CA C 65.980 0.3 1 436 39 39 ILE CB C 38.730 0.3 1 437 39 39 ILE CG1 C 25.729 0.3 1 438 39 39 ILE CG2 C 19.979 0.3 1 439 39 39 ILE CD1 C 15.047 0.3 1 440 39 39 ILE N N 126.143 0.02 1 441 40 40 SER H H 7.454 0.02 1 442 40 40 SER HA H 4.608 0.02 1 443 40 40 SER HB2 H 4.113 0.02 2 444 40 40 SER C C 174.366 0.3 1 445 40 40 SER CA C 57.110 0.3 1 446 40 40 SER CB C 62.230 0.3 1 447 40 40 SER N N 112.784 0.02 1 448 41 41 CYS HA H 4.698 0.02 1 449 41 41 CYS HB2 H 2.571 0.02 2 450 41 41 CYS HB3 H 3.082 0.02 2 451 41 41 CYS C C 176.818 0.3 1 452 41 41 CYS CA C 60.000 0.3 1 453 41 41 CYS CB C 31.846 0.3 1 454 42 42 HIS HA H 4.360 0.02 1 455 42 42 HIS HB2 H 3.305 0.02 2 456 42 42 HIS HB3 H 3.182 0.02 2 457 42 42 HIS C C 177.600 0.3 1 458 42 42 HIS CA C 60.980 0.3 1 459 42 42 HIS CB C 30.730 0.3 1 460 43 43 LEU H H 8.172 0.02 1 461 43 43 LEU HA H 4.050 0.02 1 462 43 43 LEU HB2 H 1.780 0.02 2 463 43 43 LEU HB3 H 1.483 0.02 2 464 43 43 LEU HG H 1.387 0.02 1 465 43 43 LEU HD1 H 0.840 0.02 2 466 43 43 LEU HD2 H 0.958 0.02 2 467 43 43 LEU C C 181.408 0.3 1 468 43 43 LEU CA C 57.480 0.3 1 469 43 43 LEU CB C 41.730 0.3 1 470 43 43 LEU CG C 26.850 0.3 1 471 43 43 LEU CD1 C 23.479 0.3 1 472 43 43 LEU CD2 C 23.480 0.3 1 473 44 44 CYS H H 8.568 0.02 1 474 44 44 CYS HA H 4.386 0.02 1 475 44 44 CYS HB2 H 4.401 0.02 2 476 44 44 CYS HB3 H 2.894 0.02 2 477 44 44 CYS C C 177.571 0.3 1 478 44 44 CYS CA C 63.857 0.3 1 479 44 44 CYS CB C 33.729 0.3 1 480 44 44 CYS N N 113.018 0.02 1 481 45 45 LYS H H 7.429 0.02 1 482 45 45 LYS HA H 3.536 0.02 1 483 45 45 LYS HB2 H 1.947 0.02 2 484 45 45 LYS HG2 H 1.551 0.02 2 485 45 45 LYS HD2 H 1.687 0.02 2 486 45 45 LYS HD3 H 1.742 0.02 2 487 45 45 LYS HE2 H 2.927 0.02 2 488 45 45 LYS HE3 H 2.995 0.02 2 489 45 45 LYS C C 178.570 0.3 1 490 45 45 LYS CA C 60.230 0.3 1 491 45 45 LYS CB C 32.244 0.3 1 492 45 45 LYS CG C 24.862 0.3 1 493 45 45 LYS CD C 29.125 0.3 1 494 45 45 LYS CE C 42.061 0.3 1 495 45 45 LYS N N 120.986 0.02 1 496 46 46 GLU H H 8.164 0.02 1 497 46 46 GLU HA H 3.990 0.02 1 498 46 46 GLU HB2 H 2.063 0.02 2 499 46 46 GLU HB3 H 1.984 0.02 2 500 46 46 GLU HG2 H 2.262 0.02 2 501 46 46 GLU HG3 H 2.147 0.02 2 502 46 46 GLU C C 178.114 0.3 1 503 46 46 GLU CA C 59.200 0.3 1 504 46 46 GLU CB C 29.980 0.3 1 505 46 46 GLU CG C 36.480 0.3 1 506 46 46 GLU N N 120.283 0.02 1 507 47 47 ALA H H 7.180 0.02 1 508 47 47 ALA HA H 4.562 0.02 1 509 47 47 ALA HB H 1.542 0.02 1 510 47 47 ALA C C 176.818 0.3 1 511 47 47 ALA CA C 52.230 0.3 1 512 47 47 ALA CB C 19.979 0.3 1 513 47 47 ALA N N 117.471 0.02 1 514 48 48 MET H H 7.268 0.02 1 515 48 48 MET HA H 4.413 0.02 1 516 48 48 MET HB2 H 2.357 0.02 2 517 48 48 MET HB3 H 2.230 0.02 2 518 48 48 MET HG2 H 2.436 0.02 2 519 48 48 MET HG3 H 2.530 0.02 2 520 48 48 MET HE H 1.416 0.02 1 521 48 48 MET C C 175.452 0.3 1 522 48 48 MET CA C 57.230 0.3 1 523 48 48 MET CB C 27.729 0.3 1 524 48 48 MET CG C 32.553 0.3 1 525 48 48 MET CE C 14.479 0.3 1 526 48 48 MET N N 121.221 0.02 1 527 49 49 PRO HA H 4.218 0.02 1 528 49 49 PRO HB2 H 2.350 0.02 2 529 49 49 PRO HB3 H 1.771 0.02 2 530 49 49 PRO HG2 H 2.006 0.02 2 531 49 49 PRO HG3 H 2.170 0.02 2 532 49 49 PRO HD2 H 3.586 0.02 2 533 49 49 PRO HD3 H 3.818 0.02 2 534 49 49 PRO C C 179.975 0.3 1 535 49 49 PRO CA C 66.481 0.3 1 536 49 49 PRO CB C 31.000 0.3 1 537 49 49 PRO CG C 28.513 0.3 1 538 49 49 PRO CD C 50.786 0.3 1 539 50 50 GLN H H 7.390 0.02 1 540 50 50 GLN HA H 3.962 0.02 1 541 50 50 GLN HB2 H 2.189 0.02 2 542 50 50 GLN HB3 H 1.797 0.02 2 543 50 50 GLN HG2 H 2.225 0.02 2 544 50 50 GLN HG3 H 2.188 0.02 2 545 50 50 GLN HE21 H 7.415 0.02 2 546 50 50 GLN HE22 H 6.807 0.02 2 547 50 50 GLN C C 178.580 0.3 1 548 50 50 GLN CA C 58.980 0.3 1 549 50 50 GLN CB C 29.230 0.3 1 550 50 50 GLN CG C 35.730 0.3 1 551 50 50 GLN N N 116.065 0.02 1 552 50 50 GLN NE2 N 113.482 0.02 1 553 51 51 VAL H H 7.462 0.02 1 554 51 51 VAL HA H 3.198 0.02 1 555 51 51 VAL HB H 1.997 0.02 1 556 51 51 VAL HG1 H 0.118 0.02 2 557 51 51 VAL HG2 H 0.840 0.02 2 558 51 51 VAL C C 177.939 0.3 1 559 51 51 VAL CA C 66.647 0.3 1 560 51 51 VAL CB C 30.980 0.3 1 561 51 51 VAL CG1 C 19.797 0.3 1 562 51 51 VAL CG2 C 23.547 0.3 1 563 51 51 VAL N N 122.862 0.02 1 564 52 52 ASN H H 8.541 0.02 1 565 52 52 ASN HA H 4.187 0.02 1 566 52 52 ASN HB2 H 2.733 0.02 2 567 52 52 ASN HD21 H 7.080 0.02 2 568 52 52 ASN HD22 H 5.572 0.02 2 569 52 52 ASN C C 177.519 0.3 1 570 52 52 ASN CA C 55.230 0.3 1 571 52 52 ASN CB C 37.000 0.3 1 572 52 52 ASN N N 119.581 0.02 1 573 52 52 ASN ND2 N 107.159 0.02 1 574 53 53 GLU H H 7.598 0.02 1 575 53 53 GLU HA H 4.093 0.02 1 576 53 53 GLU HB2 H 2.048 0.02 2 577 53 53 GLU HB3 H 1.920 0.02 2 578 53 53 GLU HG2 H 2.104 0.02 2 579 53 53 GLU HG3 H 2.370 0.02 2 580 53 53 GLU CA C 59.230 0.3 1 581 53 53 GLU CB C 29.230 0.3 1 582 53 53 GLU CG C 36.479 0.3 1 583 53 53 GLU N N 121.924 0.02 1 584 54 54 PHE H H 7.571 0.02 1 585 54 54 PHE HA H 4.389 0.02 1 586 54 54 PHE HB2 H 3.341 0.02 2 587 54 54 PHE HB3 H 3.104 0.02 2 588 54 54 PHE HD1 H 7.061 0.02 3 589 54 54 PHE HE1 H 6.979 0.02 3 590 54 54 PHE CA C 59.730 0.3 1 591 54 54 PHE CB C 37.730 0.3 1 592 54 54 PHE N N 120.284 0.02 1 593 55 55 ARG H H 8.118 0.02 1 594 55 55 ARG HA H 3.899 0.02 1 595 55 55 ARG HB2 H 2.627 0.02 2 596 55 55 ARG HB3 H 1.636 0.02 2 597 55 55 ARG HG2 H 2.068 0.02 2 598 55 55 ARG HG3 H 1.688 0.02 2 599 55 55 ARG HE H 6.847 0.02 1 600 55 55 ARG C C 178.018 0.3 1 601 55 55 ARG CA C 58.500 0.3 1 602 55 55 ARG CB C 30.330 0.3 1 603 55 55 ARG CG C 25.795 0.3 1 604 55 55 ARG CD C 43.754 0.3 1 605 55 55 ARG N N 119.112 0.02 1 606 55 55 ARG NE N 114.659 0.02 1 607 56 56 ASP H H 7.981 0.02 1 608 56 56 ASP HA H 4.538 0.02 1 609 56 56 ASP HB2 H 2.630 0.02 2 610 56 56 ASP HB3 H 2.702 0.02 2 611 56 56 ASP C C 179.051 0.3 1 612 56 56 ASP CA C 56.735 0.3 1 613 56 56 ASP CB C 39.948 0.3 1 614 56 56 ASP N N 117.237 0.02 1 615 57 57 LYS H H 8.744 0.02 1 616 57 57 LYS HA H 3.930 0.02 1 617 57 57 LYS HB2 H 1.654 0.02 2 618 57 57 LYS HB3 H 1.327 0.02 2 619 57 57 LYS HG2 H 0.990 0.02 2 620 57 57 LYS HG3 H 0.675 0.02 2 621 57 57 LYS HD2 H 1.368 0.02 2 622 57 57 LYS HD3 H 1.435 0.02 2 623 57 57 LYS HE2 H 2.726 0.02 2 624 57 57 LYS C C 178.249 0.3 1 625 57 57 LYS CA C 59.076 0.3 1 626 57 57 LYS CB C 32.642 0.3 1 627 57 57 LYS CG C 24.673 0.3 1 628 57 57 LYS CD C 29.924 0.3 1 629 57 57 LYS CE C 42.144 0.3 1 630 57 57 LYS N N 123.077 0.02 1 631 58 58 TYR H H 7.602 0.02 1 632 58 58 TYR HA H 4.985 0.02 1 633 58 58 TYR HB2 H 3.212 0.02 2 634 58 58 TYR HB3 H 2.692 0.02 2 635 58 58 TYR HD1 H 6.936 0.02 3 636 58 58 TYR HE1 H 6.579 0.02 3 637 58 58 TYR C C 176.784 0.3 1 638 58 58 TYR CA C 56.230 0.3 1 639 58 58 TYR CB C 38.000 0.3 1 640 58 58 TYR N N 115.429 0.02 1 641 59 59 GLN H H 7.155 0.02 1 642 59 59 GLN HA H 4.390 0.02 1 643 59 59 GLN HB2 H 2.236 0.02 2 644 59 59 GLN HB3 H 2.389 0.02 2 645 59 59 GLN HG2 H 2.416 0.02 2 646 59 59 GLN HG3 H 2.484 0.02 2 647 59 59 GLN HE21 H 6.822 0.02 2 648 59 59 GLN HE22 H 7.668 0.02 2 649 59 59 GLN C C 176.567 0.3 1 650 59 59 GLN CA C 59.208 0.3 1 651 59 59 GLN CB C 28.791 0.3 1 652 59 59 GLN CG C 33.480 0.3 1 653 59 59 GLN N N 122.200 0.02 1 654 59 59 GLN NE2 N 112.545 0.02 1 655 60 60 ASP H H 8.792 0.02 1 656 60 60 ASP HA H 4.642 0.02 1 657 60 60 ASP HB2 H 2.777 0.02 2 658 60 60 ASP HB3 H 2.825 0.02 2 659 60 60 ASP C C 176.501 0.3 1 660 60 60 ASP CA C 55.887 0.3 1 661 60 60 ASP CB C 40.745 0.3 1 662 60 60 ASP N N 117.940 0.02 1 663 61 61 GLN H H 8.118 0.02 1 664 61 61 GLN HA H 4.518 0.02 1 665 61 61 GLN HB2 H 1.915 0.02 2 666 61 61 GLN HB3 H 2.333 0.02 2 667 61 61 GLN HG2 H 2.276 0.02 2 668 61 61 GLN HG3 H 2.374 0.02 2 669 61 61 GLN HE21 H 7.720 0.02 2 670 61 61 GLN HE22 H 6.835 0.02 2 671 61 61 GLN C C 173.708 0.3 1 672 61 61 GLN CA C 56.552 0.3 1 673 61 61 GLN CB C 33.174 0.3 1 674 61 61 GLN CG C 34.728 0.3 1 675 61 61 GLN N N 117.257 0.02 1 676 61 61 GLN NE2 N 112.310 0.02 1 677 62 62 LEU H H 7.788 0.02 1 678 62 62 LEU HA H 4.706 0.02 1 679 62 62 LEU HB2 H 1.915 0.02 2 680 62 62 LEU HB3 H 1.103 0.02 2 681 62 62 LEU HG H 1.580 0.02 1 682 62 62 LEU HD1 H 0.758 0.02 2 683 62 62 LEU HD2 H 0.690 0.02 2 684 62 62 LEU C C 175.903 0.3 1 685 62 62 LEU CA C 53.720 0.3 1 686 62 62 LEU CB C 47.980 0.3 1 687 62 62 LEU CG C 26.400 0.3 1 688 62 62 LEU CD1 C 23.230 0.3 1 689 62 62 LEU CD2 C 26.798 0.3 1 690 62 62 LEU N N 120.284 0.02 1 691 63 63 ASN H H 9.052 0.02 1 692 63 63 ASN HA H 5.039 0.02 1 693 63 63 ASN HB2 H 3.124 0.02 2 694 63 63 ASN HB3 H 2.433 0.02 2 695 63 63 ASN HD21 H 6.926 0.02 2 696 63 63 ASN HD22 H 7.313 0.02 2 697 63 63 ASN C C 174.735 0.3 1 698 63 63 ASN CA C 53.000 0.3 1 699 63 63 ASN CB C 40.214 0.3 1 700 63 63 ASN N N 124.737 0.02 1 701 63 63 ASN ND2 N 119.119 0.02 1 702 64 64 VAL H H 8.604 0.02 1 703 64 64 VAL HA H 5.380 0.02 1 704 64 64 VAL HB H 2.011 0.02 1 705 64 64 VAL HG1 H 1.013 0.02 2 706 64 64 VAL HG2 H 1.150 0.02 2 707 64 64 VAL C C 174.747 0.3 1 708 64 64 VAL CA C 62.263 0.3 1 709 64 64 VAL CB C 34.635 0.3 1 710 64 64 VAL CG1 C 22.230 0.3 1 711 64 64 VAL CG2 C 22.979 0.3 1 712 64 64 VAL N N 123.511 0.02 1 713 65 65 VAL H H 8.990 0.02 1 714 65 65 VAL HA H 4.396 0.02 1 715 65 65 VAL HB H 1.900 0.02 1 716 65 65 VAL HG1 H 0.901 0.02 2 717 65 65 VAL HG2 H 0.951 0.02 2 718 65 65 VAL C C 172.900 0.3 1 719 65 65 VAL CA C 61.732 0.3 1 720 65 65 VAL CB C 36.480 0.3 1 721 65 65 VAL CG1 C 22.282 0.3 1 722 65 65 VAL CG2 C 20.479 0.3 1 723 65 65 VAL N N 127.426 0.02 1 724 66 66 ALA H H 8.981 0.02 1 725 66 66 ALA HA H 4.370 0.02 1 726 66 66 ALA HB H 1.215 0.02 1 727 66 66 ALA C C 176.573 0.3 1 728 66 66 ALA CA C 49.600 0.3 1 729 66 66 ALA CB C 22.282 0.3 1 730 66 66 ALA N N 129.166 0.02 1 731 67 67 VAL H H 8.785 0.02 1 732 67 67 VAL HA H 4.573 0.02 1 733 67 67 VAL HB H 0.350 0.02 1 734 67 67 VAL HG1 H -0.230 0.02 2 735 67 67 VAL HG2 H 0.205 0.02 2 736 67 67 VAL C C 175.283 0.3 1 737 67 67 VAL CA C 60.730 0.3 1 738 67 67 VAL CB C 33.307 0.3 1 739 67 67 VAL CG1 C 19.758 0.3 1 740 67 67 VAL CG2 C 22.016 0.3 1 741 67 67 VAL N N 121.394 0.02 1 742 68 68 HIS H H 8.959 0.02 1 743 68 68 HIS HA H 3.760 0.02 1 744 68 68 HIS HB2 H 2.639 0.02 2 745 68 68 HIS HB3 H 2.101 0.02 2 746 68 68 HIS C C 172.874 0.3 1 747 68 68 HIS CA C 56.900 0.3 1 748 68 68 HIS CB C 29.750 0.3 1 749 68 68 HIS N N 126.143 0.02 1 750 69 69 MET H H 8.243 0.02 1 751 69 69 MET HA H 4.721 0.02 1 752 69 69 MET HB2 H 1.640 0.02 2 753 69 69 MET HB3 H 1.721 0.02 2 754 69 69 MET HG2 H 2.000 0.02 2 755 69 69 MET HG3 H 2.643 0.02 2 756 69 69 MET HE H 1.720 0.02 1 757 69 69 MET C C 171.981 0.3 1 758 69 69 MET CA C 51.040 0.3 1 759 69 69 MET CB C 36.230 0.3 1 760 69 69 MET CG C 30.890 0.3 1 761 69 69 MET CE C 17.899 0.3 1 762 69 69 MET N N 130.658 0.02 1 763 70 70 PRO HA H 4.490 0.02 1 764 70 70 PRO HB2 H 2.069 0.02 2 765 70 70 PRO HB3 H 1.951 0.02 2 766 70 70 PRO HG2 H 1.991 0.02 2 767 70 70 PRO HG3 H 1.958 0.02 2 768 70 70 PRO HD2 H 3.610 0.02 2 769 70 70 PRO HD3 H 3.665 0.02 2 770 70 70 PRO C C 176.923 0.3 1 771 70 70 PRO CA C 62.480 0.3 1 772 70 70 PRO CB C 32.870 0.3 1 773 70 70 PRO CG C 27.479 0.3 1 774 70 70 PRO CD C 50.660 0.3 1 775 71 71 ARG H H 9.874 0.02 1 776 71 71 ARG HA H 4.445 0.02 1 777 71 71 ARG HB2 H 1.936 0.02 2 778 71 71 ARG HB3 H 1.640 0.02 2 779 71 71 ARG HG2 H 1.507 0.02 2 780 71 71 ARG HG3 H 1.601 0.02 2 781 71 71 ARG HD2 H 3.085 0.02 2 782 71 71 ARG C C 175.837 0.3 1 783 71 71 ARG CA C 56.286 0.3 1 784 71 71 ARG CB C 31.445 0.3 1 785 71 71 ARG CG C 27.479 0.3 1 786 71 71 ARG CD C 43.230 0.3 1 787 71 71 ARG N N 121.824 0.02 1 788 72 72 SER H H 7.844 0.02 1 789 72 72 SER HA H 4.611 0.02 1 790 72 72 SER HB2 H 4.096 0.02 2 791 72 72 SER HB3 H 3.910 0.02 2 792 72 72 SER C C 174.997 0.3 1 793 72 72 SER CA C 57.482 0.3 1 794 72 72 SER CB C 65.730 0.3 1 795 72 72 SER N N 113.956 0.02 1 796 73 73 GLU H H 9.259 0.02 1 797 73 73 GLU HA H 3.907 0.02 1 798 73 73 GLU HB2 H 2.115 0.02 2 799 73 73 GLU HB3 H 1.967 0.02 2 800 73 73 GLU HG2 H 2.348 0.02 2 801 73 73 GLU CA C 57.410 0.3 1 802 73 73 GLU CB C 28.900 0.3 1 803 73 73 GLU CG C 33.909 0.3 1 804 73 73 GLU N N 120.752 0.02 1 805 74 74 ASP H H 8.140 0.02 1 806 74 74 ASP HA H 4.537 0.02 1 807 74 74 ASP HB2 H 2.400 0.02 2 808 74 74 ASP HB3 H 2.713 0.02 2 809 74 74 ASP CA C 56.070 0.3 1 810 74 74 ASP CB C 40.730 0.3 1 811 74 74 ASP N N 120.283 0.02 1 812 75 75 ASP H H 7.466 0.02 1 813 75 75 ASP HA H 4.770 0.02 1 814 75 75 ASP HB2 H 2.864 0.02 2 815 75 75 ASP HB3 H 3.095 0.02 2 816 75 75 ASP C C 175.277 0.3 1 817 75 75 ASP CA C 53.780 0.3 1 818 75 75 ASP CB C 42.339 0.3 1 819 75 75 ASP N N 117.940 0.02 1 820 76 76 LEU H H 7.232 0.02 1 821 76 76 LEU HA H 4.146 0.02 1 822 76 76 LEU HB2 H 1.572 0.02 2 823 76 76 LEU HB3 H 1.823 0.02 2 824 76 76 LEU HG H 1.682 0.02 1 825 76 76 LEU HD1 H 0.870 0.02 2 826 76 76 LEU HD2 H 0.987 0.02 2 827 76 76 LEU C C 177.519 0.3 1 828 76 76 LEU CA C 55.416 0.3 1 829 76 76 LEU CB C 43.130 0.3 1 830 76 76 LEU CG C 26.665 0.3 1 831 76 76 LEU CD1 C 23.230 0.3 1 832 76 76 LEU CD2 C 25.469 0.3 1 833 76 76 LEU N N 116.998 0.02 1 834 77 77 ASP H H 7.473 0.02 1 835 77 77 ASP HA H 4.760 0.02 1 836 77 77 ASP HB2 H 2.647 0.02 2 837 77 77 ASP HB3 H 2.763 0.02 2 838 77 77 ASP C C 179.130 0.3 1 839 77 77 ASP CA C 52.356 0.3 1 840 77 77 ASP CB C 42.230 0.3 1 841 77 77 ASP N N 121.456 0.02 1 842 78 78 PRO HA H 4.060 0.02 1 843 78 78 PRO HB2 H 2.181 0.02 2 844 78 78 PRO HB3 H 1.975 0.02 2 845 78 78 PRO HG2 H 1.901 0.02 2 846 78 78 PRO HG3 H 2.119 0.02 2 847 78 78 PRO HD2 H 3.818 0.02 2 848 78 78 PRO HD3 H 4.305 0.02 2 849 78 78 PRO C C 178.858 0.3 1 850 78 78 PRO CA C 65.053 0.3 1 851 78 78 PRO CB C 32.111 0.3 1 852 78 78 PRO CG C 27.479 0.3 1 853 78 78 PRO CD C 51.100 0.3 1 854 79 79 GLY H H 8.310 0.02 1 855 79 79 GLY HA2 H 3.913 0.02 2 856 79 79 GLY HA3 H 3.802 0.02 2 857 79 79 GLY C C 176.643 0.3 1 858 79 79 GLY CA C 47.121 0.3 1 859 79 79 GLY N N 107.630 0.02 1 860 80 80 LYS H H 7.706 0.02 1 861 80 80 LYS HA H 4.207 0.02 1 862 80 80 LYS HB2 H 1.855 0.02 2 863 80 80 LYS HG2 H 1.426 0.02 2 864 80 80 LYS HG3 H 1.531 0.02 2 865 80 80 LYS HD2 H 1.716 0.02 2 866 80 80 LYS HD3 H 1.669 0.02 2 867 80 80 LYS HE2 H 2.991 0.02 2 868 80 80 LYS C C 180.239 0.3 1 869 80 80 LYS CA C 58.544 0.3 1 870 80 80 LYS CB C 32.510 0.3 1 871 80 80 LYS CG C 25.204 0.3 1 872 80 80 LYS CD C 29.322 0.3 1 873 80 80 LYS CE C 42.144 0.3 1 874 80 80 LYS N N 123.799 0.02 1 875 81 81 ILE H H 7.820 0.02 1 876 81 81 ILE HA H 3.385 0.02 1 877 81 81 ILE HB H 1.502 0.02 1 878 81 81 ILE HG12 H 1.392 0.02 1 879 81 81 ILE HG13 H -0.390 0.02 1 880 81 81 ILE HG2 H 0.411 0.02 1 881 81 81 ILE HD1 H 0.260 0.02 1 882 81 81 ILE C C 177.178 0.3 1 883 81 81 ILE CA C 65.980 0.3 1 884 81 81 ILE CB C 37.980 0.3 1 885 81 81 ILE CG1 C 28.214 0.3 1 886 81 81 ILE CG2 C 17.000 0.3 1 887 81 81 ILE CD1 C 14.844 0.3 1 888 81 81 ILE N N 123.096 0.02 1 889 82 82 LYS H H 8.080 0.02 1 890 82 82 LYS HA H 3.849 0.02 1 891 82 82 LYS HB2 H 1.937 0.02 2 892 82 82 LYS HB3 H 2.021 0.02 2 893 82 82 LYS HG2 H 1.457 0.02 2 894 82 82 LYS HG3 H 1.549 0.02 2 895 82 82 LYS HD2 H 1.712 0.02 2 896 82 82 LYS HE2 H 2.930 0.02 2 897 82 82 LYS C C 179.480 0.3 1 898 82 82 LYS CA C 60.130 0.3 1 899 82 82 LYS CB C 32.500 0.3 1 900 82 82 LYS CG C 25.119 0.3 1 901 82 82 LYS CD C 29.729 0.3 1 902 82 82 LYS CE C 42.145 0.3 1 903 82 82 LYS N N 120.676 0.02 1 904 83 83 GLU H H 8.200 0.02 1 905 83 83 GLU HA H 4.145 0.02 1 906 83 83 GLU HB2 H 2.149 0.02 2 907 83 83 GLU HB3 H 2.282 0.02 2 908 83 83 GLU HG2 H 2.424 0.02 2 909 83 83 GLU HG3 H 2.290 0.02 2 910 83 83 GLU C C 179.497 0.3 1 911 83 83 GLU CA C 59.474 0.3 1 912 83 83 GLU CB C 29.853 0.3 1 913 83 83 GLU CG C 36.837 0.3 1 914 83 83 GLU N N 120.518 0.02 1 915 84 84 THR H H 8.340 0.02 1 916 84 84 THR HA H 4.297 0.02 1 917 84 84 THR HB H 4.426 0.02 1 918 84 84 THR HG2 H 1.570 0.02 1 919 84 84 THR C C 176.468 0.3 1 920 84 84 THR CA C 67.000 0.3 1 921 84 84 THR CB C 68.480 0.3 1 922 84 84 THR CG2 C 22.729 0.3 1 923 84 84 THR N N 118.409 0.02 1 924 85 85 ALA H H 8.972 0.02 1 925 85 85 ALA HA H 3.860 0.02 1 926 85 85 ALA HB H 1.625 0.02 1 927 85 85 ALA C C 179.165 0.3 1 928 85 85 ALA CA C 55.755 0.3 1 929 85 85 ALA CB C 18.000 0.3 1 930 85 85 ALA N N 124.655 0.02 1 931 86 86 ALA H H 7.870 0.02 1 932 86 86 ALA HA H 4.207 0.02 1 933 86 86 ALA HB H 1.528 0.02 1 934 86 86 ALA C C 181.512 0.3 1 935 86 86 ALA CA C 54.980 0.3 1 936 86 86 ALA CB C 17.766 0.3 1 937 86 86 ALA N N 120.752 0.02 1 938 87 87 GLU H H 7.940 0.02 1 939 87 87 GLU HA H 3.949 0.02 1 940 87 87 GLU HB2 H 2.185 0.02 2 941 87 87 GLU HB3 H 2.004 0.02 2 942 87 87 GLU HG2 H 1.927 0.02 2 943 87 87 GLU HG3 H 2.226 0.02 2 944 87 87 GLU C C 177.659 0.3 1 945 87 87 GLU CA C 58.810 0.3 1 946 87 87 GLU CB C 29.720 0.3 1 947 87 87 GLU CG C 35.730 0.3 1 948 87 87 GLU N N 120.849 0.02 1 949 88 88 HIS H H 7.395 0.02 1 950 88 88 HIS HA H 4.435 0.02 1 951 88 88 HIS HB2 H 3.230 0.02 2 952 88 88 HIS HB3 H 2.490 0.02 2 953 88 88 HIS HD2 H 6.906 0.02 1 954 88 88 HIS HE2 H 7.228 0.02 1 955 88 88 HIS C C 173.424 0.3 1 956 88 88 HIS CA C 56.480 0.3 1 957 88 88 HIS CB C 29.729 0.3 1 958 88 88 HIS N N 114.893 0.02 1 959 89 89 ASP H H 7.735 0.02 1 960 89 89 ASP HA H 4.200 0.02 1 961 89 89 ASP HB2 H 3.000 0.02 2 962 89 89 ASP HB3 H 2.278 0.02 2 963 89 89 ASP C C 173.715 0.3 1 964 89 89 ASP CA C 55.490 0.3 1 965 89 89 ASP CB C 39.730 0.3 1 966 89 89 ASP N N 119.119 0.02 1 967 90 90 ILE H H 8.537 0.02 1 968 90 90 ILE HA H 3.882 0.02 1 969 90 90 ILE HB H 1.705 0.02 1 970 90 90 ILE HG12 H 0.626 0.02 1 971 90 90 ILE HG13 H 1.415 0.02 1 972 90 90 ILE HG2 H 0.467 0.02 1 973 90 90 ILE HD1 H -0.341 0.02 1 974 90 90 ILE C C 175.598 0.3 1 975 90 90 ILE CA C 61.231 0.3 1 976 90 90 ILE CB C 36.229 0.3 1 977 90 90 ILE CG2 C 16.960 0.3 1 978 90 90 ILE CD1 C 12.797 0.3 1 979 90 90 ILE N N 119.118 0.02 1 980 91 91 THR H H 7.105 0.02 1 981 91 91 THR HA H 4.097 0.02 1 982 91 91 THR HB H 4.285 0.02 1 983 91 91 THR HG2 H 1.043 0.02 1 984 91 91 THR C C 175.475 0.3 1 985 91 91 THR CA C 61.998 0.3 1 986 91 91 THR CB C 69.037 0.3 1 987 91 91 THR CG2 C 21.751 0.3 1 988 91 91 THR N N 117.244 0.02 1 989 92 92 GLN H H 10.465 0.02 1 990 92 92 GLN HA H 4.642 0.02 1 991 92 92 GLN HB2 H 1.815 0.02 2 992 92 92 GLN HB3 H 2.635 0.02 2 993 92 92 GLN HG2 H 2.400 0.02 2 994 92 92 GLN HG3 H 2.190 0.02 2 995 92 92 GLN HE22 H 7.701 0.02 2 996 92 92 GLN C C 171.356 0.3 1 997 92 92 GLN CA C 53.762 0.3 1 998 92 92 GLN CB C 26.200 0.3 1 999 92 92 GLN CG C 32.041 0.3 1 1000 92 92 GLN N N 127.855 0.02 1 1001 92 92 GLN NE2 N 118.878 0.02 1 1002 93 93 PRO HA H 4.745 0.02 1 1003 93 93 PRO HB2 H 2.645 0.02 2 1004 93 93 PRO HB3 H 2.293 0.02 2 1005 93 93 PRO HG2 H 1.846 0.02 2 1006 93 93 PRO HG3 H 2.066 0.02 2 1007 93 93 PRO HD2 H 4.002 0.02 2 1008 93 93 PRO HD3 H 3.990 0.02 2 1009 93 93 PRO C C 175.564 0.3 1 1010 93 93 PRO CA C 64.870 0.3 1 1011 93 93 PRO CB C 32.775 0.3 1 1012 93 93 PRO CG C 28.578 0.3 1 1013 93 93 PRO CD C 50.300 0.3 1 1014 94 94 ILE H H 9.271 0.02 1 1015 94 94 ILE HA H 5.102 0.02 1 1016 94 94 ILE HB H 1.894 0.02 1 1017 94 94 ILE HG12 H 2.328 0.02 1 1018 94 94 ILE HG13 H 0.726 0.02 1 1019 94 94 ILE HG2 H 0.830 0.02 1 1020 94 94 ILE HD1 H 0.939 0.02 1 1021 94 94 ILE C C 174.551 0.3 1 1022 94 94 ILE CA C 59.076 0.3 1 1023 94 94 ILE CB C 42.180 0.3 1 1024 94 94 ILE CG1 C 26.980 0.3 1 1025 94 94 ILE CG2 C 19.000 0.3 1 1026 94 94 ILE CD1 C 15.641 0.3 1 1027 94 94 ILE N N 120.752 0.02 1 1028 95 95 PHE H H 9.102 0.02 1 1029 95 95 PHE HA H 3.464 0.02 1 1030 95 95 PHE HB2 H 1.770 0.02 2 1031 95 95 PHE HB3 H 2.785 0.02 2 1032 95 95 PHE HD1 H 6.925 0.02 3 1033 95 95 PHE HE1 H 7.017 0.02 3 1034 95 95 PHE C C 175.690 0.3 1 1035 95 95 PHE CA C 56.286 0.3 1 1036 95 95 PHE CB C 38.730 0.3 1 1037 95 95 PHE N N 131.609 0.02 1 1038 96 96 VAL H H 8.575 0.02 1 1039 96 96 VAL HA H 3.947 0.02 1 1040 96 96 VAL HB H 2.135 0.02 1 1041 96 96 VAL HG1 H 0.863 0.02 2 1042 96 96 VAL HG2 H 0.732 0.02 2 1043 96 96 VAL C C 174.429 0.3 1 1044 96 96 VAL CA C 64.230 0.3 1 1045 96 96 VAL CB C 39.124 0.3 1 1046 96 96 VAL CG1 C 22.946 0.3 1 1047 96 96 VAL CG2 C 21.619 0.3 1 1048 96 96 VAL N N 131.534 0.02 1 1049 97 97 ASP H H 8.921 0.02 1 1050 97 97 ASP HA H 5.340 0.02 1 1051 97 97 ASP HB2 H 3.038 0.02 2 1052 97 97 ASP HB3 H 2.172 0.02 2 1053 97 97 ASP C C 178.659 0.3 1 1054 97 97 ASP CA C 53.730 0.3 1 1055 97 97 ASP CB C 41.210 0.3 1 1056 97 97 ASP N N 134.344 0.02 1 1057 98 98 SER H H 7.151 0.02 1 1058 98 98 SER HA H 4.077 0.02 1 1059 98 98 SER HB2 H 3.526 0.02 2 1060 98 98 SER C C 172.834 0.3 1 1061 98 98 SER CA C 61.800 0.3 1 1062 98 98 SER CB C 63.064 0.3 1 1063 98 98 SER N N 114.654 0.02 1 1064 99 99 ASP H H 8.468 0.02 1 1065 99 99 ASP HA H 4.178 0.02 1 1066 99 99 ASP HB2 H 2.850 0.02 2 1067 99 99 ASP HB3 H 2.601 0.02 2 1068 99 99 ASP C C 176.148 0.3 1 1069 99 99 ASP CA C 54.480 0.3 1 1070 99 99 ASP CB C 40.980 0.3 1 1071 99 99 ASP N N 117.808 0.02 1 1072 100 100 HIS H H 8.005 0.02 1 1073 100 100 HIS HA H 4.306 0.02 1 1074 100 100 HIS HB2 H 3.410 0.02 2 1075 100 100 HIS HB3 H 3.340 0.02 2 1076 100 100 HIS HD2 H 7.038 0.02 1 1077 100 100 HIS C C 173.455 0.3 1 1078 100 100 HIS CA C 57.860 0.3 1 1079 100 100 HIS CB C 27.730 0.3 1 1080 100 100 HIS N N 114.444 0.02 1 1081 101 101 ALA H H 7.670 0.02 1 1082 101 101 ALA HA H 4.190 0.02 1 1083 101 101 ALA HB H 1.562 0.02 1 1084 101 101 ALA C C 180.752 0.3 1 1085 101 101 ALA CA C 55.622 0.3 1 1086 101 101 ALA CB C 19.758 0.3 1 1087 101 101 ALA N N 123.871 0.02 1 1088 102 102 LEU H H 10.498 0.02 1 1089 102 102 LEU HA H 4.309 0.02 1 1090 102 102 LEU HB2 H 1.180 0.02 2 1091 102 102 LEU HB3 H 1.064 0.02 2 1092 102 102 LEU HG H 1.333 0.02 1 1093 102 102 LEU HD1 H 0.714 0.02 2 1094 102 102 LEU HD2 H -0.430 0.02 2 1095 102 102 LEU C C 180.334 0.3 1 1096 102 102 LEU CA C 57.250 0.3 1 1097 102 102 LEU CB C 42.210 0.3 1 1098 102 102 LEU CG C 26.730 0.3 1 1099 102 102 LEU CD1 C 23.979 0.3 1 1100 102 102 LEU CD2 C 24.479 0.3 1 1101 102 102 LEU N N 126.697 0.02 1 1102 103 103 THR H H 10.014 0.02 1 1103 103 103 THR HA H 3.786 0.02 1 1104 103 103 THR HB H 3.492 0.02 1 1105 103 103 THR HG2 H 1.109 0.02 1 1106 103 103 THR C C 176.608 0.3 1 1107 103 103 THR CA C 68.980 0.3 1 1108 103 103 THR CB C 68.980 0.3 1 1109 103 103 THR CG2 C 22.480 0.3 1 1110 103 103 THR N N 121.924 0.02 1 1111 104 104 ASP H H 8.195 0.02 1 1112 104 104 ASP HA H 4.483 0.02 1 1113 104 104 ASP HB2 H 2.911 0.02 2 1114 104 104 ASP HB3 H 2.613 0.02 2 1115 104 104 ASP C C 179.761 0.3 1 1116 104 104 ASP CA C 57.216 0.3 1 1117 104 104 ASP CB C 39.730 0.3 1 1118 104 104 ASP N N 121.456 0.02 1 1119 105 105 ALA H H 7.927 0.02 1 1120 105 105 ALA HA H 4.200 0.02 1 1121 105 105 ALA HB H 1.651 0.02 1 1122 105 105 ALA C C 180.146 0.3 1 1123 105 105 ALA CA C 55.225 0.3 1 1124 105 105 ALA CB C 18.000 0.3 1 1125 105 105 ALA N N 126.005 0.02 1 1126 106 106 PHE H H 8.603 0.02 1 1127 106 106 PHE HA H 3.990 0.02 1 1128 106 106 PHE HB2 H 2.906 0.02 2 1129 106 106 PHE HB3 H 2.577 0.02 2 1130 106 106 PHE HD1 H 6.685 0.02 3 1131 106 106 PHE HE1 H 6.766 0.02 3 1132 106 106 PHE C C 175.032 0.3 1 1133 106 106 PHE CA C 58.981 0.3 1 1134 106 106 PHE CB C 40.010 0.3 1 1135 106 106 PHE N N 117.471 0.02 1 1136 107 107 GLU H H 7.918 0.02 1 1137 107 107 GLU HA H 3.777 0.02 1 1138 107 107 GLU HB2 H 1.944 0.02 2 1139 107 107 GLU HB3 H 2.070 0.02 2 1140 107 107 GLU HG2 H 2.169 0.02 2 1141 107 107 GLU HG3 H 1.932 0.02 2 1142 107 107 GLU C C 175.592 0.3 1 1143 107 107 GLU CA C 56.817 0.3 1 1144 107 107 GLU CB C 27.650 0.3 1 1145 107 107 GLU CG C 33.466 0.3 1 1146 107 107 GLU N N 120.340 0.02 1 1147 108 108 ASN H H 7.970 0.02 1 1148 108 108 ASN HA H 4.229 0.02 1 1149 108 108 ASN HB2 H 1.663 0.02 2 1150 108 108 ASN HB3 H 2.144 0.02 2 1151 108 108 ASN HD21 H 6.099 0.02 2 1152 108 108 ASN HD22 H 7.364 0.02 2 1153 108 108 ASN C C 174.230 0.3 1 1154 108 108 ASN CA C 55.091 0.3 1 1155 108 108 ASN CB C 40.730 0.3 1 1156 108 108 ASN N N 116.065 0.02 1 1157 108 108 ASN ND2 N 116.768 0.02 1 1158 109 109 GLU H H 8.328 0.02 1 1159 109 109 GLU HA H 4.025 0.02 1 1160 109 109 GLU HB2 H 1.340 0.02 2 1161 109 109 GLU HG2 H 1.825 0.02 2 1162 109 109 GLU HG3 H 1.665 0.02 2 1163 109 109 GLU C C 175.452 0.3 1 1164 109 109 GLU CA C 57.000 0.3 1 1165 109 109 GLU CB C 32.000 0.3 1 1166 109 109 GLU CG C 36.230 0.3 1 1167 109 109 GLU N N 126.336 0.02 1 1168 110 110 TYR H H 7.935 0.02 1 1169 110 110 TYR HA H 4.800 0.02 1 1170 110 110 TYR HB2 H 3.030 0.02 2 1171 110 110 TYR HB3 H 2.679 0.02 2 1172 110 110 TYR HD1 H 7.096 0.02 3 1173 110 110 TYR HE1 H 6.780 0.02 3 1174 110 110 TYR C C 174.716 0.3 1 1175 110 110 TYR CA C 56.460 0.3 1 1176 110 110 TYR CB C 41.980 0.3 1 1177 110 110 TYR CD1 C 133.789 0.3 3 1178 110 110 TYR N N 118.410 0.02 1 1179 111 111 VAL H H 8.088 0.02 1 1180 111 111 VAL HA H 4.399 0.02 1 1181 111 111 VAL HB H 1.891 0.02 1 1182 111 111 VAL HG1 H 0.800 0.02 2 1183 111 111 VAL HG2 H 0.900 0.02 2 1184 111 111 VAL C C 173.631 0.3 1 1185 111 111 VAL CA C 58.000 0.3 1 1186 111 111 VAL CB C 34.980 0.3 1 1187 111 111 VAL CG1 C 23.979 0.3 1 1188 111 111 VAL CG2 C 18.479 0.3 1 1189 111 111 VAL N N 112.088 0.02 1 1190 112 112 PRO HA H 4.772 0.02 1 1191 112 112 PRO HB2 H 2.613 0.02 2 1192 112 112 PRO HB3 H 1.900 0.02 2 1193 112 112 PRO HG2 H 1.876 0.02 2 1194 112 112 PRO HG3 H 1.888 0.02 2 1195 112 112 PRO HD2 H 3.200 0.02 2 1196 112 112 PRO HD3 H 3.610 0.02 2 1197 112 112 PRO C C 175.452 0.3 1 1198 112 112 PRO CA C 62.750 0.3 1 1199 112 112 PRO CB C 34.980 0.3 1 1200 112 112 PRO CG C 24.595 0.3 1 1201 112 112 PRO CD C 50.150 0.3 1 1202 113 113 ALA H H 7.170 0.02 1 1203 113 113 ALA HA H 4.814 0.02 1 1204 113 113 ALA HB H 1.660 0.02 1 1205 113 113 ALA C C 175.487 0.3 1 1206 113 113 ALA CA C 52.310 0.3 1 1207 113 113 ALA CB C 25.200 0.3 1 1208 113 113 ALA N N 118.878 0.02 1 1209 114 114 TYR H H 8.809 0.02 1 1210 114 114 TYR HA H 5.282 0.02 1 1211 114 114 TYR HB2 H 2.725 0.02 2 1212 114 114 TYR HB3 H 2.615 0.02 2 1213 114 114 TYR HD1 H 6.911 0.02 3 1214 114 114 TYR C C 172.965 0.3 1 1215 114 114 TYR CA C 57.480 0.3 1 1216 114 114 TYR CB C 41.000 0.3 1 1217 114 114 TYR N N 119.754 0.02 1 1218 115 115 TYR H H 9.473 0.02 1 1219 115 115 TYR HA H 5.054 0.02 1 1220 115 115 TYR HB2 H 3.452 0.02 2 1221 115 115 TYR HB3 H 2.898 0.02 2 1222 115 115 TYR HD1 H 7.324 0.02 3 1223 115 115 TYR HE1 H 6.450 0.02 3 1224 115 115 TYR C C 174.366 0.3 1 1225 115 115 TYR CA C 57.482 0.3 1 1226 115 115 TYR CB C 41.277 0.3 1 1227 115 115 TYR CD1 C 133.165 0.3 3 1228 115 115 TYR CE1 C 118.916 0.3 3 1229 115 115 TYR N N 121.871 0.02 1 1230 116 116 VAL H H 9.072 0.02 1 1231 116 116 VAL HA H 5.032 0.02 1 1232 116 116 VAL HB H 2.091 0.02 1 1233 116 116 VAL HG1 H 0.837 0.02 2 1234 116 116 VAL HG2 H 0.806 0.02 2 1235 116 116 VAL C C 174.436 0.3 1 1236 116 116 VAL CA C 61.000 0.3 1 1237 116 116 VAL CB C 33.480 0.3 1 1238 116 116 VAL CG1 C 21.729 0.3 1 1239 116 116 VAL CG2 C 21.480 0.3 1 1240 116 116 VAL N N 122.393 0.02 1 1241 117 117 PHE H H 10.124 0.02 1 1242 117 117 PHE HA H 5.287 0.02 1 1243 117 117 PHE HB2 H 3.025 0.02 2 1244 117 117 PHE HB3 H 2.851 0.02 2 1245 117 117 PHE HD1 H 7.197 0.02 3 1246 117 117 PHE HE1 H 7.285 0.02 3 1247 117 117 PHE C C 176.328 0.3 1 1248 117 117 PHE CA C 56.286 0.3 1 1249 117 117 PHE CB C 42.070 0.3 1 1250 117 117 PHE N N 129.195 0.02 1 1251 118 118 ASP H H 8.590 0.02 1 1252 118 118 ASP HA H 4.623 0.02 1 1253 118 118 ASP HB2 H 3.627 0.02 2 1254 118 118 ASP HB3 H 2.737 0.02 2 1255 118 118 ASP C C 178.465 0.3 1 1256 118 118 ASP CA C 53.040 0.3 1 1257 118 118 ASP CB C 41.480 0.3 1 1258 118 118 ASP N N 118.860 0.02 1 1259 119 119 LYS H H 9.360 0.02 1 1260 119 119 LYS HA H 4.183 0.02 1 1261 119 119 LYS HB2 H 1.635 0.02 2 1262 119 119 LYS HB3 H 1.323 0.02 2 1263 119 119 LYS HG2 H 1.110 0.02 2 1264 119 119 LYS HG3 H 1.474 0.02 2 1265 119 119 LYS HD2 H 1.525 0.02 2 1266 119 119 LYS HD3 H 1.582 0.02 2 1267 119 119 LYS HE2 H 2.733 0.02 2 1268 119 119 LYS HE3 H 2.915 0.02 2 1269 119 119 LYS C C 176.083 0.3 1 1270 119 119 LYS CA C 58.540 0.3 1 1271 119 119 LYS CB C 32.230 0.3 1 1272 119 119 LYS CG C 23.800 0.3 1 1273 119 119 LYS CD C 29.853 0.3 1 1274 119 119 LYS CE C 41.941 0.3 1 1275 119 119 LYS N N 118.878 0.02 1 1276 120 120 THR H H 8.266 0.02 1 1277 120 120 THR HA H 4.549 0.02 1 1278 120 120 THR HB H 4.411 0.02 1 1279 120 120 THR HG2 H 1.180 0.02 1 1280 120 120 THR C C 175.907 0.3 1 1281 120 120 THR CA C 61.730 0.3 1 1282 120 120 THR CB C 69.569 0.3 1 1283 120 120 THR CG2 C 22.230 0.3 1 1284 120 120 THR N N 111.378 0.02 1 1285 121 121 GLY H H 8.557 0.02 1 1286 121 121 GLY HA2 H 4.260 0.02 2 1287 121 121 GLY HA3 H 3.504 0.02 2 1288 121 121 GLY C C 172.650 0.3 1 1289 121 121 GLY CA C 45.730 0.3 1 1290 121 121 GLY N N 110.260 0.02 1 1291 122 122 GLN H H 7.892 0.02 1 1292 122 122 GLN HA H 4.584 0.02 1 1293 122 122 GLN HB2 H 2.056 0.02 2 1294 122 122 GLN HB3 H 1.640 0.02 2 1295 122 122 GLN HG2 H 2.300 0.02 2 1296 122 122 GLN HG3 H 2.056 0.02 2 1297 122 122 GLN HE21 H 7.600 0.02 2 1298 122 122 GLN HE22 H 6.641 0.02 2 1299 122 122 GLN C C 177.659 0.3 1 1300 122 122 GLN CA C 55.230 0.3 1 1301 122 122 GLN CB C 30.480 0.3 1 1302 122 122 GLN CG C 34.502 0.3 1 1303 122 122 GLN N N 120.518 0.02 1 1304 122 122 GLN NE2 N 111.138 0.02 1 1305 123 123 LEU H H 8.749 0.02 1 1306 123 123 LEU HA H 3.673 0.02 1 1307 123 123 LEU HB2 H 1.984 0.02 2 1308 123 123 LEU HB3 H 1.357 0.02 2 1309 123 123 LEU HG H 1.268 0.02 1 1310 123 123 LEU HD1 H 0.800 0.02 2 1311 123 123 LEU HD2 H 0.518 0.02 2 1312 123 123 LEU C C 177.274 0.3 1 1313 123 123 LEU CA C 56.730 0.3 1 1314 123 123 LEU CB C 40.980 0.3 1 1315 123 123 LEU CG C 27.259 0.3 1 1316 123 123 LEU CD1 C 26.230 0.3 1 1317 123 123 LEU CD2 C 24.009 0.3 1 1318 123 123 LEU N N 125.206 0.02 1 1319 124 124 ARG H H 9.477 0.02 1 1320 124 124 ARG HA H 4.770 0.02 1 1321 124 124 ARG HB2 H 1.471 0.02 2 1322 124 124 ARG HB3 H 1.978 0.02 2 1323 124 124 ARG HG2 H 1.671 0.02 2 1324 124 124 ARG HG3 H 1.857 0.02 2 1325 124 124 ARG HD2 H 3.022 0.02 2 1326 124 124 ARG HD3 H 3.378 0.02 2 1327 124 124 ARG C C 176.503 0.3 1 1328 124 124 ARG CA C 53.340 0.3 1 1329 124 124 ARG CB C 31.430 0.3 1 1330 124 124 ARG CG C 26.916 0.3 1 1331 124 124 ARG CD C 40.008 0.3 1 1332 124 124 ARG N N 127.087 0.02 1 1333 125 125 HIS H H 7.621 0.02 1 1334 125 125 HIS HA H 4.796 0.02 1 1335 125 125 HIS HB2 H 3.154 0.02 2 1336 125 125 HIS HB3 H 2.295 0.02 2 1337 125 125 HIS HD2 H 6.240 0.02 1 1338 125 125 HIS C C 171.038 0.3 1 1339 125 125 HIS CA C 57.310 0.3 1 1340 125 125 HIS CB C 34.237 0.3 1 1341 125 125 HIS N N 117.002 0.02 1 1342 126 126 PHE H H 7.270 0.02 1 1343 126 126 PHE HA H 5.278 0.02 1 1344 126 126 PHE HB2 H 2.739 0.02 2 1345 126 126 PHE HB3 H 2.397 0.02 2 1346 126 126 PHE HD1 H 6.344 0.02 3 1347 126 126 PHE HE1 H 7.192 0.02 3 1348 126 126 PHE C C 172.930 0.3 1 1349 126 126 PHE CA C 54.692 0.3 1 1350 126 126 PHE CB C 43.300 0.3 1 1351 126 126 PHE CD1 C 132.290 0.3 3 1352 126 126 PHE N N 127.438 0.02 1 1353 127 127 GLN H H 7.737 0.02 1 1354 127 127 GLN HA H 3.798 0.02 1 1355 127 127 GLN HB2 H 1.818 0.02 2 1356 127 127 GLN HB3 H 1.927 0.02 2 1357 127 127 GLN C C 171.354 0.3 1 1358 127 127 GLN CA C 54.490 0.3 1 1359 127 127 GLN CB C 33.050 0.3 1 1360 127 127 GLN CG C 36.329 0.3 1 1361 127 127 GLN N N 120.284 0.02 1 1362 128 128 ALA H H 8.393 0.02 1 1363 128 128 ALA HA H 4.818 0.02 1 1364 128 128 ALA HB H 1.356 0.02 1 1365 128 128 ALA C C 177.274 0.3 1 1366 128 128 ALA CA C 51.260 0.3 1 1367 128 128 ALA CB C 22.479 0.3 1 1368 128 128 ALA N N 123.799 0.02 1 1369 129 129 GLY H H 8.111 0.02 1 1370 129 129 GLY HA2 H 3.765 0.02 2 1371 129 129 GLY HA3 H 4.333 0.02 2 1372 129 129 GLY C C 175.032 0.3 1 1373 129 129 GLY CA C 44.730 0.3 1 1374 129 129 GLY N N 106.456 0.02 1 1375 130 130 GLY H H 8.563 0.02 1 1376 130 130 GLY HA2 H 3.887 0.02 2 1377 130 130 GLY HA3 H 4.081 0.02 2 1378 130 130 GLY CA C 45.660 0.3 1 1379 130 130 GLY N N 107.774 0.02 1 1380 131 131 SER HA H 4.350 0.02 1 1381 131 131 SER HB2 H 3.860 0.02 2 1382 131 131 SER HB3 H 4.060 0.02 2 1383 131 131 SER CA C 58.411 0.3 1 1384 131 131 SER CB C 62.980 0.3 1 1385 132 132 GLY H H 8.715 0.02 1 1386 132 132 GLY HA2 H 4.080 0.02 2 1387 132 132 GLY HA3 H 3.888 0.02 2 1388 132 132 GLY CA C 45.980 0.3 1 1389 132 132 GLY N N 123.250 0.02 1 1390 133 133 MET HA H 4.396 0.02 1 1391 133 133 MET HB2 H 1.914 0.02 2 1392 133 133 MET HB3 H 1.984 0.02 2 1393 133 133 MET HG2 H 2.477 0.02 2 1394 133 133 MET HG3 H 2.539 0.02 2 1395 133 133 MET HE H 1.457 0.02 1 1396 133 133 MET CG C 31.712 0.3 1 1397 133 133 MET CE C 17.979 0.3 1 1398 134 134 LYS HD2 H 1.390 0.02 2 1399 134 134 LYS HE2 H 2.725 0.02 2 1400 134 134 LYS HE3 H 2.902 0.02 2 1401 134 134 LYS CA C 57.350 0.3 1 1402 134 134 LYS CB C 32.260 0.3 1 1403 134 134 LYS CD C 25.602 0.3 1 1404 134 134 LYS CE C 41.675 0.3 1 1405 135 135 MET H H 7.712 0.02 1 1406 135 135 MET HA H 4.098 0.02 1 1407 135 135 MET HB2 H 2.477 0.02 2 1408 135 135 MET HB3 H 2.393 0.02 2 1409 135 135 MET HE H 2.070 0.02 1 1410 135 135 MET CA C 57.980 0.3 1 1411 135 135 MET CB C 31.720 0.3 1 1412 135 135 MET CG C 36.748 0.3 1 1413 135 135 MET CE C 16.729 0.3 1 1414 135 135 MET N N 120.752 0.02 1 1415 136 136 LEU H H 7.482 0.02 1 1416 136 136 LEU HA H 3.625 0.02 1 1417 136 136 LEU HB2 H 1.826 0.02 2 1418 136 136 LEU HB3 H 1.196 0.02 2 1419 136 136 LEU HG H 1.182 0.02 1 1420 136 136 LEU HD1 H 0.575 0.02 2 1421 136 136 LEU HD2 H 0.250 0.02 2 1422 136 136 LEU C C 178.184 0.3 1 1423 136 136 LEU CA C 58.330 0.3 1 1424 136 136 LEU CB C 40.480 0.3 1 1425 136 136 LEU CG C 26.533 0.3 1 1426 136 136 LEU CD1 C 23.730 0.3 1 1427 136 136 LEU CD2 C 25.730 0.3 1 1428 136 136 LEU N N 121.455 0.02 1 1429 137 137 GLU H H 8.100 0.02 1 1430 137 137 GLU HA H 3.395 0.02 1 1431 137 137 GLU HB2 H 2.120 0.02 2 1432 137 137 GLU HB3 H 2.057 0.02 2 1433 137 137 GLU HG2 H 2.176 0.02 2 1434 137 137 GLU HG3 H 2.096 0.02 2 1435 137 137 GLU C C 177.974 0.3 1 1436 137 137 GLU CA C 60.005 0.3 1 1437 137 137 GLU CB C 29.480 0.3 1 1438 137 137 GLU CG C 36.230 0.3 1 1439 137 137 GLU N N 119.112 0.02 1 1440 138 138 LYS H H 7.650 0.02 1 1441 138 138 LYS HA H 3.978 0.02 1 1442 138 138 LYS HB2 H 1.915 0.02 2 1443 138 138 LYS HB3 H 1.845 0.02 2 1444 138 138 LYS HG2 H 1.366 0.02 2 1445 138 138 LYS HG3 H 1.548 0.02 2 1446 138 138 LYS HD2 H 1.636 0.02 2 1447 138 138 LYS HE2 H 2.885 0.02 2 1448 138 138 LYS C C 180.041 0.3 1 1449 138 138 LYS CA C 59.740 0.3 1 1450 138 138 LYS CB C 32.310 0.3 1 1451 138 138 LYS CG C 25.213 0.3 1 1452 138 138 LYS CD C 29.450 0.3 1 1453 138 138 LYS CE C 42.142 0.3 1 1454 138 138 LYS N N 119.080 0.02 1 1455 139 139 ARG H H 7.930 0.02 1 1456 139 139 ARG HA H 3.865 0.02 1 1457 139 139 ARG HB2 H 1.495 0.02 2 1458 139 139 ARG HB3 H 1.197 0.02 2 1459 139 139 ARG HG2 H 0.057 0.02 2 1460 139 139 ARG HG3 H 1.401 0.02 2 1461 139 139 ARG HD2 H 2.878 0.02 2 1462 139 139 ARG HD3 H 2.731 0.02 2 1463 139 139 ARG C C 179.410 0.3 1 1464 139 139 ARG CA C 57.349 0.3 1 1465 139 139 ARG CB C 29.040 0.3 1 1466 139 139 ARG CG C 25.479 0.3 1 1467 139 139 ARG CD C 41.480 0.3 1 1468 139 139 ARG N N 119.112 0.02 1 1469 140 140 VAL H H 8.504 0.02 1 1470 140 140 VAL HA H 3.299 0.02 1 1471 140 140 VAL HB H 1.892 0.02 1 1472 140 140 VAL HG1 H 0.668 0.02 2 1473 140 140 VAL HG2 H 0.438 0.02 2 1474 140 140 VAL C C 177.204 0.3 1 1475 140 140 VAL CA C 67.178 0.3 1 1476 140 140 VAL CB C 31.230 0.3 1 1477 140 140 VAL CG1 C 23.730 0.3 1 1478 140 140 VAL CG2 C 21.485 0.3 1 1479 140 140 VAL N N 121.640 0.02 1 1480 141 141 ASN H H 8.392 0.02 1 1481 141 141 ASN HA H 4.205 0.02 1 1482 141 141 ASN HB2 H 2.846 0.02 2 1483 141 141 ASN HB3 H 2.679 0.02 2 1484 141 141 ASN HD21 H 7.318 0.02 2 1485 141 141 ASN HD22 H 7.086 0.02 2 1486 141 141 ASN C C 178.149 0.3 1 1487 141 141 ASN CA C 56.685 0.3 1 1488 141 141 ASN CB C 38.090 0.3 1 1489 141 141 ASN N N 118.410 0.02 1 1490 141 141 ASN ND2 N 111.377 0.02 1 1491 142 142 ARG H H 7.710 0.02 1 1492 142 142 ARG HA H 4.088 0.02 1 1493 142 142 ARG HB2 H 1.944 0.02 2 1494 142 142 ARG HG2 H 1.727 0.02 2 1495 142 142 ARG HG3 H 1.695 0.02 2 1496 142 142 ARG HD2 H 3.139 0.02 2 1497 142 142 ARG C C 178.675 0.3 1 1498 142 142 ARG CA C 59.180 0.3 1 1499 142 142 ARG CB C 29.979 0.3 1 1500 142 142 ARG CG C 27.007 0.3 1 1501 142 142 ARG CD C 43.268 0.3 1 1502 142 142 ARG N N 120.000 0.02 1 1503 143 143 VAL H H 7.486 0.02 1 1504 143 143 VAL HA H 3.925 0.02 1 1505 143 143 VAL HB H 2.145 0.02 1 1506 143 143 VAL HG1 H 0.957 0.02 2 1507 143 143 VAL HG2 H 0.931 0.02 2 1508 143 143 VAL C C 178.990 0.3 1 1509 143 143 VAL CA C 65.584 0.3 1 1510 143 143 VAL CB C 31.479 0.3 1 1511 143 143 VAL CG1 C 22.479 0.3 1 1512 143 143 VAL CG2 C 21.730 0.3 1 1513 143 143 VAL N N 117.940 0.02 1 1514 144 144 LEU H H 8.170 0.02 1 1515 144 144 LEU HA H 4.063 0.02 1 1516 144 144 LEU HB2 H 1.415 0.02 2 1517 144 144 LEU HB3 H 1.808 0.02 2 1518 144 144 LEU HG H 1.553 0.02 1 1519 144 144 LEU HD1 H 0.754 0.02 2 1520 144 144 LEU HD2 H 0.388 0.02 2 1521 144 144 LEU C C 178.394 0.3 1 1522 144 144 LEU CA C 57.420 0.3 1 1523 144 144 LEU CB C 41.730 0.3 1 1524 144 144 LEU CG C 26.729 0.3 1 1525 144 144 LEU CD1 C 24.000 0.3 1 1526 144 144 LEU CD2 C 25.730 0.3 1 1527 144 144 LEU N N 121.924 0.02 1 1528 145 145 ALA H H 7.585 0.02 1 1529 145 145 ALA HA H 4.303 0.02 1 1530 145 145 ALA HB H 1.476 0.02 1 1531 145 145 ALA C C 178.149 0.3 1 1532 145 145 ALA CA C 52.965 0.3 1 1533 145 145 ALA CB C 19.094 0.3 1 1534 145 145 ALA N N 120.518 0.02 1 1535 146 146 GLU H H 7.559 0.02 1 1536 146 146 GLU HA H 4.288 0.02 1 1537 146 146 GLU HB2 H 2.167 0.02 2 1538 146 146 GLU HG2 H 2.555 0.02 2 1539 146 146 GLU HG3 H 2.325 0.02 2 1540 146 146 GLU C C 176.853 0.3 1 1541 146 146 GLU CA C 57.230 0.3 1 1542 146 146 GLU CB C 29.540 0.3 1 1543 146 146 GLU CG C 36.730 0.3 1 1544 146 146 GLU N N 118.654 0.02 1 1545 147 147 THR H H 8.012 0.02 1 1546 147 147 THR HA H 4.390 0.02 1 1547 147 147 THR HB H 4.337 0.02 1 1548 147 147 THR HG2 H 1.263 0.02 1 1549 147 147 THR C C 173.876 0.3 1 1550 147 147 THR CA C 61.980 0.3 1 1551 147 147 THR CB C 69.968 0.3 1 1552 147 147 THR CG2 C 21.730 0.3 1 1553 147 147 THR N N 115.356 0.02 1 1554 148 148 GLU H H 7.982 0.02 1 1555 148 148 GLU HA H 4.133 0.02 1 1556 148 148 GLU HB2 H 2.060 0.02 2 1557 148 148 GLU HB3 H 1.908 0.02 2 1558 148 148 GLU HG2 H 2.214 0.02 2 1559 148 148 GLU C C 175.297 0.3 1 1560 148 148 GLU CA C 58.230 0.3 1 1561 148 148 GLU CB C 31.000 0.3 1 1562 148 148 GLU CG C 36.827 0.3 1 1563 148 148 GLU N N 128.953 0.02 1 stop_ save_