data_15606 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; SOCS box elonginBC ternary complex ; _BMRB_accession_number 15606 _BMRB_flat_file_name bmr15606.str _Entry_type original _Submission_date 2007-12-27 _Accession_date 2007-12-27 _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 Babon Jeffrey J. . 2 Sabo Jennifer . . 3 Soetopo Alfreda . . 4 Yao Shenggen . . 5 Bailey Micheal F. . 6 Zhang Jian-guo . . 7 Nicola Nicos A. . 8 Norton Raymond S. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 3 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 577 "13C chemical shifts" 639 "15N chemical shifts" 202 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-10-24 update BMRB 'complete entry citation' 2008-07-29 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The SOCS Box Domain of SOCS3: Structure and Interaction with the ElonginBC-Cullin5 Ubiquitin Ligase' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18590740 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Babon Jeffrey J. . 2 Sabo Jennifer K. . 3 Soetopo Alfreda . . 4 Yao Shenggen . . 5 Bailey Micheal F. . 6 Zhang Jian-Guo . . 7 Nicola Nicos A. . 8 Norton Raymond S. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 381 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 928 _Page_last 940 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name socsbox/elonginBC _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'chain a' $socs_box 'chain b' $elonginB 'chain c' $elonginC stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_socs_box _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common socs_box _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 40 _Mol_residue_sequence ; VATLQHLCRKTVNGHLDSYE KVTQLPGPIREFLDQYDAPL ; loop_ _Residue_seq_code _Residue_label 1 VAL 2 ALA 3 THR 4 LEU 5 GLN 6 HIS 7 LEU 8 CYS 9 ARG 10 LYS 11 THR 12 VAL 13 ASN 14 GLY 15 HIS 16 LEU 17 ASP 18 SER 19 TYR 20 GLU 21 LYS 22 VAL 23 THR 24 GLN 25 LEU 26 PRO 27 GLY 28 PRO 29 ILE 30 ARG 31 GLU 32 PHE 33 LEU 34 ASP 35 GLN 36 TYR 37 ASP 38 ALA 39 PRO 40 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-30 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 PDB 2JZ3 "Socs Box Elonginbc Ternary Complex" 100.00 40 100.00 100.00 2.20e-20 DBJ BAA22430 "STAT induced STAT inhibitor-3 [Homo sapiens]" 100.00 225 100.00 100.00 1.67e-19 DBJ BAA22537 "CIS3 [Homo sapiens]" 100.00 225 100.00 100.00 1.76e-19 DBJ BAC32977 "unnamed protein product [Mus musculus]" 100.00 225 100.00 100.00 1.79e-19 DBJ BAD42435 "suppressor of cytokine signaling 3 [Canis lupus familiaris]" 100.00 225 97.50 97.50 3.74e-18 DBJ BAE23929 "unnamed protein product [Mus musculus]" 100.00 225 100.00 100.00 1.79e-19 EMBL CAB56083 "suppressor of cytokine signaling 3 [Rattus norvegicus]" 100.00 225 100.00 100.00 1.95e-19 EMBL CAG38736 "SOCS3 [Homo sapiens]" 100.00 225 100.00 100.00 1.76e-19 EMBL CAG46495 "SOCS3 [Homo sapiens]" 100.00 225 100.00 100.00 1.76e-19 EMBL CAL37774 "hypothetical protein [synthetic construct]" 100.00 225 100.00 100.00 1.76e-19 EMBL CAL38024 "hypothetical protein [synthetic construct]" 100.00 225 100.00 100.00 1.76e-19 GB AAB62403 "suppressor of cytokine signalling-3 [Mus musculus]" 100.00 225 100.00 100.00 1.79e-19 GB AAC26223 "suppressor of cytokine signaling-3 [Rattus norvegicus]" 100.00 225 100.00 100.00 2.11e-19 GB AAD42231 "cytokine signaling suppressor [Homo sapiens]" 100.00 225 100.00 100.00 1.76e-19 GB AAH52031 "Suppressor of cytokine signaling 3 [Mus musculus]" 100.00 225 100.00 100.00 1.79e-19 GB AAH60858 "Suppressor of cytokine signaling 3 [Homo sapiens]" 100.00 225 100.00 100.00 1.76e-19 REF NP_001026801 "suppressor of cytokine signaling 3 [Canis lupus familiaris]" 100.00 225 97.50 97.50 3.74e-18 REF NP_001116668 "suppressor of cytokine signaling 3 [Sus scrofa]" 100.00 229 100.00 100.00 1.58e-19 REF NP_001116851 "suppressor of cytokine signaling 3 [Equus caballus]" 100.00 229 100.00 100.00 1.92e-19 REF NP_001181255 "suppressor of cytokine signaling 3 [Macaca mulatta]" 100.00 225 100.00 100.00 2.34e-19 REF NP_003946 "suppressor of cytokine signaling 3 [Homo sapiens]" 100.00 225 100.00 100.00 1.76e-19 SP O14543 "RecName: Full=Suppressor of cytokine signaling 3; Short=SOCS-3; AltName: Full=Cytokine-inducible SH2 protein 3; Short=CIS-3; Al" 100.00 225 100.00 100.00 1.76e-19 SP O35718 "RecName: Full=Suppressor of cytokine signaling 3; Short=SOCS-3; AltName: Full=Cytokine-inducible SH2 protein 3; Short=CIS-3; Al" 100.00 225 100.00 100.00 1.79e-19 SP O88583 "RecName: Full=Suppressor of cytokine signaling 3; Short=SOCS-3; AltName: Full=Cytokine-inducible SH2 protein 3" 100.00 225 100.00 100.00 2.11e-19 SP Q68AM8 "RecName: Full=Suppressor of cytokine signaling 3; Short=SOCS-3" 100.00 225 97.50 97.50 3.74e-18 SP Q9BEG9 "RecName: Full=Suppressor of cytokine signaling 3; Short=SOCS-3" 100.00 229 100.00 100.00 1.59e-19 TPG DAA18184 "TPA: suppressor of cytokine signaling 3 [Bos taurus]" 100.00 229 100.00 100.00 1.59e-19 stop_ save_ save_elonginB _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common elonginB _Molecular_mass . _Mol_thiol_state 'all free' _Details . _Residue_count 118 _Mol_residue_sequence ; MDVFLMIRRHKTTIFTDAKE SSTVFELKRIVEGILKRPPD EQRLYKDDQLLDDGKTLGEC GFTSQTARPQAPATVGLAFR ADDTFEALCIEPFSSPPELP DVMKPQDSGSSANEQAVQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 51 MET 2 52 ASP 3 53 VAL 4 54 PHE 5 55 LEU 6 56 MET 7 57 ILE 8 58 ARG 9 59 ARG 10 60 HIS 11 61 LYS 12 62 THR 13 63 THR 14 64 ILE 15 65 PHE 16 66 THR 17 67 ASP 18 68 ALA 19 69 LYS 20 70 GLU 21 71 SER 22 72 SER 23 73 THR 24 74 VAL 25 75 PHE 26 76 GLU 27 77 LEU 28 78 LYS 29 79 ARG 30 80 ILE 31 81 VAL 32 82 GLU 33 83 GLY 34 84 ILE 35 85 LEU 36 86 LYS 37 87 ARG 38 88 PRO 39 89 PRO 40 90 ASP 41 91 GLU 42 92 GLN 43 93 ARG 44 94 LEU 45 95 TYR 46 96 LYS 47 97 ASP 48 98 ASP 49 99 GLN 50 100 LEU 51 101 LEU 52 102 ASP 53 103 ASP 54 104 GLY 55 105 LYS 56 106 THR 57 107 LEU 58 108 GLY 59 109 GLU 60 110 CYS 61 111 GLY 62 112 PHE 63 113 THR 64 114 SER 65 115 GLN 66 116 THR 67 117 ALA 68 118 ARG 69 119 PRO 70 120 GLN 71 121 ALA 72 122 PRO 73 123 ALA 74 124 THR 75 125 VAL 76 126 GLY 77 127 LEU 78 128 ALA 79 129 PHE 80 130 ARG 81 131 ALA 82 132 ASP 83 133 ASP 84 134 THR 85 135 PHE 86 136 GLU 87 137 ALA 88 138 LEU 89 139 CYS 90 140 ILE 91 141 GLU 92 142 PRO 93 143 PHE 94 144 SER 95 145 SER 96 146 PRO 97 147 PRO 98 148 GLU 99 149 LEU 100 150 PRO 101 151 ASP 102 152 VAL 103 153 MET 104 154 LYS 105 155 PRO 106 156 GLN 107 157 ASP 108 158 SER 109 159 GLY 110 160 SER 111 161 SER 112 162 ALA 113 163 ASN 114 164 GLU 115 165 GLN 116 166 ALA 117 167 VAL 118 168 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 19333 Elongin_B 100.00 118 100.00 100.00 1.45e-79 PDB 1LM8 "Structure Of A Hif-1a-Pvhl-Elonginb-Elonginc Complex" 100.00 118 100.00 100.00 1.45e-79 PDB 1LQB "Crystal Structure Of A Hydroxylated Hif-1 Alpha Peptide Bound To The PvhlELONGIN-CELONGIN-B Complex" 100.00 118 100.00 100.00 1.45e-79 PDB 1VCB "The Vhl-Elonginc-Elonginb Structure" 100.00 118 100.00 100.00 1.45e-79 PDB 2C9W "Crystal Structure Of Socs-2 In Complex With Elongin-B And Elongin-C At 1.9a Resolution" 100.00 118 100.00 100.00 1.45e-79 PDB 2FNJ "Crystal Structure Of A B30.2SPRY DOMAIN-Containing Protein Gustavus In Complex With Elongin B And Elongin C" 100.00 118 97.46 98.31 1.90e-76 PDB 2IZV "Crystal Structure Of Socs-4 In Complex With Elongin-B And Elongin-C At 2.55a Resolution" 100.00 118 100.00 100.00 1.45e-79 PDB 2JZ3 "Socs Box Elonginbc Ternary Complex" 100.00 118 100.00 100.00 1.45e-79 PDB 2MA9 "Hiv-1 Vif Socs-box And Elongin Bc Solution Structure" 100.00 118 100.00 100.00 1.45e-79 PDB 3DCG "Crystal Structure Of The Hiv Vif Bc-Box In Complex With Human Elonginb And Elonginc" 100.00 118 100.00 100.00 1.45e-79 PDB 3ZKJ "Crystal Structure Of Ankyrin Repeat And Socs Box-containing Protein 9 (asb9) In Complex With Elonginb And Elonginc" 100.00 118 100.00 100.00 1.45e-79 PDB 3ZNG "Ankyrin Repeat And Socs-box Protein 9 (asb9) In Complex With Elonginb And Elonginc" 100.00 118 100.00 100.00 1.45e-79 PDB 3ZRC "Pvhl54-213-Elob-Eloc Complex (4r)-4-Hydroxy-1-[(3-Methylisoxazol-5- Yl)acetyl]-N-[4-(1,3-Oxazol-5-Yl)benzyl]-L-Prolinamide Boun" 100.00 118 100.00 100.00 1.45e-79 PDB 3ZRF "Pvhl54-213-Elob-Eloc Complex_apo" 100.00 118 100.00 100.00 1.45e-79 PDB 3ZTC "Pvhl54-213-Elob-Eloc Complex _ (2s,4r)-N-((1,1'-Biphenyl)-4- Ylmethyl)-4-Hydroxy-1-(2-(3-Methylisoxazol-5-Yl)acetyl) Pyrrolidin" 100.00 118 100.00 100.00 1.45e-79 PDB 3ZTD "Pvhl54-213-Elob-Eloc Complex _ Methyl 4-(((2s,4r)-4-Hydroxy- 1-(2-(3-Methylisoxazol-5-Yl)acetyl)pyrrolidine-2- Carboxamido)meth" 100.00 118 100.00 100.00 1.45e-79 PDB 3ZUN "Pvhl54-213-Elob-Eloc Complex_(2s,4r)-4-Hydroxy-1-(2-(3- Methylisoxazol-5-Yl)acetyl)-N-(4-Nitrobenzyl)pyrrolidine-2- Carboxamide" 100.00 118 100.00 100.00 1.45e-79 PDB 4AJY "Von Hippel-Lindau Protein-Elonginb-Elonginc Complex, Bound To Hif1- Alpha Peptide" 100.00 118 100.00 100.00 1.45e-79 PDB 4AWJ "Pvhl:elob:eloc Complex, In Complex With Capped Hydroxyproline" 88.14 104 98.08 98.08 6.95e-66 PDB 4B95 "Pvhl-Elob-Elob-Elocc Complex_(2s,4r)-1-(2-Chlorophenyl)carbonyl-N-[ (4-Chlorophenyl)methyl]-4-Oxidanyl-Pyrrolidine-2-Carboxamid" 100.00 118 100.00 100.00 1.45e-79 PDB 4B9K "Pvhl-elob-eloc Complex_(2s,4r)-1-(3-amino-2-methylbenzoyl)-4- Hydroxy-n-(4-(4-methylthiazol-5-yl)benzyl) Pyrrolidine-2-carboxam" 88.14 104 98.08 98.08 6.95e-66 PDB 4BKS "Von Hippel Lindau Protein:elonginb:elonginc Complex, In Complex With (2s,4r)-1-ethanoyl-n-[[4-(1,3-oxazol-5-yl)phenyl]methyl]-4" 88.14 104 100.00 100.00 1.23e-68 PDB 4BKT "Von Hippel Lindau Protein:elonginb:elonginc Complex, In Complex With (2s,4r)-n-methyl-1-[2-(3-methyl-1,2-oxazol-5-yl)ethanoyl]-" 88.14 104 99.04 99.04 4.08e-67 PDB 4JGH "Structure Of The Socs2-elongin Bc Complex Bound To An N-terminal Fragment Of Cullin5" 100.00 118 97.46 98.31 1.90e-76 PDB 4N9F "Crystal Structure Of The Vif-cbfbeta-cul5-elob-eloc Pentameric Complex" 86.44 102 100.00 100.00 7.31e-67 PDB 4W9C "Pvhl:elob:eloc In Complex With (2s,4r)-1-(3,3-dimethylbutanoyl)-4- Hydroxy-n-(4-(oxazol-5-yl)benzyl)pyrrolidine-2-carboxamide (" 88.14 104 98.08 98.08 6.95e-66 PDB 4W9D "Pvhl:elob:eloc In Complex With (2s,4r)-1-(3,3-dimethylbutanoyl)-4- Hydroxy-n-(4-(4-methyloxazol-5-yl)benzyl)pyrrolidine-2-carbo" 88.14 104 98.08 98.08 6.95e-66 PDB 4W9E "Pvhl:elob:eloc In Complex With (2s,4r)-1-(3,3-dimethylbutanoyl)-4- Hydroxy-n-(4-(thiazol-5-yl)benzyl)pyrrolidine-2-carboxamide " 88.14 104 98.08 98.08 6.95e-66 PDB 4W9F "Pvhl:elob:eloc In Complex With (2s,4r)-1-(3,3-dimethylbutanoyl)-4- Hydroxy-n-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carb" 88.14 104 99.04 99.04 4.08e-67 PDB 4W9G "Pvhl:elob:eloc In Complex With (2s,4r)-1-(3,3-dimethylbutanoyl)-4- Hydroxy-n-(3-methyl-4-(thiazol-5-yl)benzyl)pyrrolidine-2-car" 88.14 104 98.08 98.08 6.95e-66 PDB 4W9H "Pvhl:elob:eloc In Complex With (2s,4r)-1-((s)-2-acetamido-3,3- Dimethylbutanoyl)-4-hydroxy-n-(4-(4-methylthiazol-5-yl)benzyl) P" 88.14 104 98.08 98.08 6.95e-66 PDB 4W9I "Pvhl:elob:eloc In Complex With (2s,4r)-1-((2s,4r)-1-acetyl-4- Hydroxypyrrolidine-2-carbonyl)-4-hydroxy-n-(4-(4-methylthiazol-5-" 88.14 104 98.08 98.08 6.95e-66 PDB 4W9J "Pvhl:elob:eloc In Complex With (2s,4r)-1-((s)-2-((s)-2-acetamido-4- Methylpentanamido)-3,3-dimethylbutanoyl)-4-hydroxy-n-(4-(4-" 88.14 104 98.08 98.08 6.95e-66 PDB 4W9K "Pvhl:elob:eloc In Complex With (2s,4r)-1-((s)-2-((s)-2-acetamido-3- Phenylpropanamido)-3,3-dimethylbutanoyl)-4-hydroxy-n-(4-(4-" 88.14 104 98.08 98.08 6.95e-66 PDB 4W9L "Pvhl:elob:eloc In Complex With (2s,4r)-1-((s)-2-((s)-2-acetamido-3,3- Dimethylbutanamido)-3,3-dimethylbutanoyl)-4-hydroxy-n-(4-" 88.14 104 98.08 98.08 6.95e-66 DBJ BAB21946 "unnamed protein product [Mus musculus]" 100.00 118 97.46 98.31 1.90e-76 DBJ BAB22417 "unnamed protein product [Mus musculus]" 100.00 118 97.46 98.31 1.90e-76 DBJ BAB22684 "unnamed protein product [Mus musculus]" 100.00 118 97.46 98.31 1.90e-76 DBJ BAB25690 "unnamed protein product [Mus musculus]" 100.00 118 97.46 98.31 1.90e-76 DBJ BAB25727 "unnamed protein product [Mus musculus]" 100.00 118 97.46 98.31 1.90e-76 GB AAA75522 "RNA polymerase II transcription factor SIII p18 subunit [Homo sapiens]" 100.00 118 100.00 100.00 1.45e-79 GB AAA80968 "RNA polymerase II transcription factor SIII p18 subunit [Rattus norvegicus]" 100.00 118 97.46 98.31 1.90e-76 GB AAC08452 "elongin B [Homo sapiens]" 61.02 72 100.00 100.00 4.13e-43 GB AAH13306 "Transcription elongation factor B (SIII), polypeptide 2 (18kDa, elongin B) [Homo sapiens]" 100.00 118 100.00 100.00 1.45e-79 GB AAH51927 "Transcription elongation factor B (SIII), polypeptide 2 [Mus musculus]" 100.00 118 97.46 98.31 1.90e-76 PRF 2119399A "elongin B" 100.00 118 100.00 100.00 1.45e-79 REF NP_001029972 "transcription elongation factor B polypeptide 2 [Bos taurus]" 100.00 118 97.46 98.31 1.34e-76 REF NP_009039 "transcription elongation factor B polypeptide 2 isoform a [Homo sapiens]" 100.00 118 100.00 100.00 1.45e-79 REF NP_080581 "transcription elongation factor B polypeptide 2 [Mus musculus]" 100.00 118 97.46 98.31 1.90e-76 REF NP_112391 "transcription elongation factor B polypeptide 2 [Rattus norvegicus]" 100.00 118 97.46 98.31 1.90e-76 REF NP_996896 "transcription elongation factor B polypeptide 2 isoform b [Homo sapiens]" 100.00 161 99.15 99.15 1.42e-78 SP P62869 "RecName: Full=Transcription elongation factor B polypeptide 2; AltName: Full=Elongin 18 kDa subunit; AltName: Full=Elongin-B; S" 100.00 118 97.46 98.31 1.90e-76 SP P62870 "RecName: Full=Transcription elongation factor B polypeptide 2; AltName: Full=Elongin 18 kDa subunit; AltName: Full=Elongin-B; S" 100.00 118 97.46 98.31 1.90e-76 SP Q15370 "RecName: Full=Transcription elongation factor B polypeptide 2; AltName: Full=Elongin 18 kDa subunit; AltName: Full=Elongin-B; S" 100.00 118 100.00 100.00 1.45e-79 TPG DAA15620 "TPA: elongin B [Bos taurus]" 100.00 118 97.46 98.31 1.34e-76 stop_ save_ save_elonginC _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common elonginC _Molecular_mass . _Mol_thiol_state 'all free' _Details . _Residue_count 96 _Mol_residue_sequence ; MYVKLISSDGHEFIVKREHA LTSGTIKAMLSGPGQFAENE TNEVNFREIPSHVLSKVCMY FTYKVRYTNSSTEIPEFPIA PEIALELLMAANFLDC ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 217 MET 2 218 TYR 3 219 VAL 4 220 LYS 5 221 LEU 6 222 ILE 7 223 SER 8 224 SER 9 225 ASP 10 226 GLY 11 227 HIS 12 228 GLU 13 229 PHE 14 230 ILE 15 231 VAL 16 232 LYS 17 233 ARG 18 234 GLU 19 235 HIS 20 236 ALA 21 237 LEU 22 238 THR 23 239 SER 24 240 GLY 25 241 THR 26 242 ILE 27 243 LYS 28 244 ALA 29 245 MET 30 246 LEU 31 247 SER 32 248 GLY 33 249 PRO 34 250 GLY 35 251 GLN 36 252 PHE 37 253 ALA 38 254 GLU 39 255 ASN 40 256 GLU 41 257 THR 42 258 ASN 43 259 GLU 44 260 VAL 45 261 ASN 46 262 PHE 47 263 ARG 48 264 GLU 49 265 ILE 50 266 PRO 51 267 SER 52 268 HIS 53 269 VAL 54 270 LEU 55 271 SER 56 272 LYS 57 273 VAL 58 274 CYS 59 275 MET 60 276 TYR 61 277 PHE 62 278 THR 63 279 TYR 64 280 LYS 65 281 VAL 66 282 ARG 67 283 TYR 68 284 THR 69 285 ASN 70 286 SER 71 287 SER 72 288 THR 73 289 GLU 74 290 ILE 75 291 PRO 76 292 GLU 77 293 PHE 78 294 PRO 79 295 ILE 80 296 ALA 81 297 PRO 82 298 GLU 83 299 ILE 84 300 ALA 85 301 LEU 86 302 GLU 87 303 LEU 88 304 LEU 89 305 MET 90 306 ALA 91 307 ALA 92 308 ASN 93 309 PHE 94 310 LEU 95 311 ASP 96 312 CYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 19333 Elongin_C 94.79 91 100.00 100.00 4.29e-59 PDB 1LM8 "Structure Of A Hif-1a-Pvhl-Elonginb-Elonginc Complex" 100.00 96 100.00 100.00 6.90e-64 PDB 1LQB "Crystal Structure Of A Hydroxylated Hif-1 Alpha Peptide Bound To The PvhlELONGIN-CELONGIN-B Complex" 100.00 96 100.00 100.00 6.90e-64 PDB 1VCB "The Vhl-Elonginc-Elonginb Structure" 100.00 112 100.00 100.00 2.10e-63 PDB 2C9W "Crystal Structure Of Socs-2 In Complex With Elongin-B And Elongin-C At 1.9a Resolution" 100.00 97 100.00 100.00 6.88e-64 PDB 2FNJ "Crystal Structure Of A B30.2SPRY DOMAIN-Containing Protein Gustavus In Complex With Elongin B And Elongin C" 100.00 96 100.00 100.00 6.90e-64 PDB 2IZV "Crystal Structure Of Socs-4 In Complex With Elongin-B And Elongin-C At 2.55a Resolution" 100.00 97 100.00 100.00 6.88e-64 PDB 2JZ3 "Socs Box Elonginbc Ternary Complex" 100.00 96 100.00 100.00 6.90e-64 PDB 2MA9 "Hiv-1 Vif Socs-box And Elongin Bc Solution Structure" 94.79 91 100.00 100.00 4.29e-59 PDB 3DCG "Crystal Structure Of The Hiv Vif Bc-Box In Complex With Human Elonginb And Elonginc" 100.00 97 100.00 100.00 6.88e-64 PDB 3ZKJ "Crystal Structure Of Ankyrin Repeat And Socs Box-containing Protein 9 (asb9) In Complex With Elonginb And Elonginc" 100.00 96 100.00 100.00 6.90e-64 PDB 3ZNG "Ankyrin Repeat And Socs-box Protein 9 (asb9) In Complex With Elonginb And Elonginc" 100.00 97 100.00 100.00 6.88e-64 PDB 3ZRC "Pvhl54-213-Elob-Eloc Complex (4r)-4-Hydroxy-1-[(3-Methylisoxazol-5- Yl)acetyl]-N-[4-(1,3-Oxazol-5-Yl)benzyl]-L-Prolinamide Boun" 100.00 97 100.00 100.00 6.88e-64 PDB 3ZRF "Pvhl54-213-Elob-Eloc Complex_apo" 100.00 97 100.00 100.00 6.88e-64 PDB 3ZTC "Pvhl54-213-Elob-Eloc Complex _ (2s,4r)-N-((1,1'-Biphenyl)-4- Ylmethyl)-4-Hydroxy-1-(2-(3-Methylisoxazol-5-Yl)acetyl) Pyrrolidin" 100.00 97 100.00 100.00 6.88e-64 PDB 3ZTD "Pvhl54-213-Elob-Eloc Complex _ Methyl 4-(((2s,4r)-4-Hydroxy- 1-(2-(3-Methylisoxazol-5-Yl)acetyl)pyrrolidine-2- Carboxamido)meth" 100.00 97 100.00 100.00 6.88e-64 PDB 3ZUN "Pvhl54-213-Elob-Eloc Complex_(2s,4r)-4-Hydroxy-1-(2-(3- Methylisoxazol-5-Yl)acetyl)-N-(4-Nitrobenzyl)pyrrolidine-2- Carboxamide" 100.00 97 100.00 100.00 6.88e-64 PDB 4AJY "Von Hippel-Lindau Protein-Elonginb-Elonginc Complex, Bound To Hif1- Alpha Peptide" 100.00 97 100.00 100.00 6.88e-64 PDB 4AWJ "Pvhl:elob:eloc Complex, In Complex With Capped Hydroxyproline" 100.00 97 100.00 100.00 6.88e-64 PDB 4B95 "Pvhl-Elob-Elob-Elocc Complex_(2s,4r)-1-(2-Chlorophenyl)carbonyl-N-[ (4-Chlorophenyl)methyl]-4-Oxidanyl-Pyrrolidine-2-Carboxamid" 100.00 97 100.00 100.00 6.88e-64 PDB 4B9K "Pvhl-elob-eloc Complex_(2s,4r)-1-(3-amino-2-methylbenzoyl)-4- Hydroxy-n-(4-(4-methylthiazol-5-yl)benzyl) Pyrrolidine-2-carboxam" 100.00 97 100.00 100.00 6.88e-64 PDB 4BKS "Von Hippel Lindau Protein:elonginb:elonginc Complex, In Complex With (2s,4r)-1-ethanoyl-n-[[4-(1,3-oxazol-5-yl)phenyl]methyl]-4" 100.00 97 100.00 100.00 6.88e-64 PDB 4BKT "Von Hippel Lindau Protein:elonginb:elonginc Complex, In Complex With (2s,4r)-n-methyl-1-[2-(3-methyl-1,2-oxazol-5-yl)ethanoyl]-" 100.00 97 100.00 100.00 6.88e-64 PDB 4JGH "Structure Of The Socs2-elongin Bc Complex Bound To An N-terminal Fragment Of Cullin5" 100.00 96 98.96 98.96 7.19e-63 PDB 4N9F "Crystal Structure Of The Vif-cbfbeta-cul5-elob-eloc Pentameric Complex" 100.00 96 100.00 100.00 6.90e-64 PDB 4W9C "Pvhl:elob:eloc In Complex With (2s,4r)-1-(3,3-dimethylbutanoyl)-4- Hydroxy-n-(4-(oxazol-5-yl)benzyl)pyrrolidine-2-carboxamide (" 100.00 97 100.00 100.00 6.88e-64 PDB 4W9D "Pvhl:elob:eloc In Complex With (2s,4r)-1-(3,3-dimethylbutanoyl)-4- Hydroxy-n-(4-(4-methyloxazol-5-yl)benzyl)pyrrolidine-2-carbo" 100.00 97 100.00 100.00 6.88e-64 PDB 4W9E "Pvhl:elob:eloc In Complex With (2s,4r)-1-(3,3-dimethylbutanoyl)-4- Hydroxy-n-(4-(thiazol-5-yl)benzyl)pyrrolidine-2-carboxamide " 100.00 97 100.00 100.00 6.88e-64 PDB 4W9F "Pvhl:elob:eloc In Complex With (2s,4r)-1-(3,3-dimethylbutanoyl)-4- Hydroxy-n-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carb" 98.96 97 100.00 100.00 1.03e-62 PDB 4W9G "Pvhl:elob:eloc In Complex With (2s,4r)-1-(3,3-dimethylbutanoyl)-4- Hydroxy-n-(3-methyl-4-(thiazol-5-yl)benzyl)pyrrolidine-2-car" 100.00 97 100.00 100.00 6.88e-64 PDB 4W9H "Pvhl:elob:eloc In Complex With (2s,4r)-1-((s)-2-acetamido-3,3- Dimethylbutanoyl)-4-hydroxy-n-(4-(4-methylthiazol-5-yl)benzyl) P" 100.00 97 100.00 100.00 6.88e-64 PDB 4W9I "Pvhl:elob:eloc In Complex With (2s,4r)-1-((2s,4r)-1-acetyl-4- Hydroxypyrrolidine-2-carbonyl)-4-hydroxy-n-(4-(4-methylthiazol-5-" 100.00 97 100.00 100.00 6.88e-64 PDB 4W9J "Pvhl:elob:eloc In Complex With (2s,4r)-1-((s)-2-((s)-2-acetamido-4- Methylpentanamido)-3,3-dimethylbutanoyl)-4-hydroxy-n-(4-(4-" 100.00 97 100.00 100.00 6.88e-64 PDB 4W9K "Pvhl:elob:eloc In Complex With (2s,4r)-1-((s)-2-((s)-2-acetamido-3- Phenylpropanamido)-3,3-dimethylbutanoyl)-4-hydroxy-n-(4-(4-" 100.00 97 100.00 100.00 6.88e-64 PDB 4W9L "Pvhl:elob:eloc In Complex With (2s,4r)-1-((s)-2-((s)-2-acetamido-3,3- Dimethylbutanamido)-3,3-dimethylbutanoyl)-4-hydroxy-n-(4-" 100.00 97 100.00 100.00 6.88e-64 DBJ BAB27825 "unnamed protein product [Mus musculus]" 100.00 112 100.00 100.00 2.10e-63 DBJ BAB27939 "unnamed protein product [Mus musculus]" 100.00 112 100.00 100.00 2.10e-63 DBJ BAB28546 "unnamed protein product [Mus musculus]" 100.00 112 100.00 100.00 2.10e-63 DBJ BAB28641 "unnamed protein product [Mus musculus]" 100.00 112 100.00 100.00 2.10e-63 DBJ BAC30437 "unnamed protein product [Mus musculus]" 100.00 112 100.00 100.00 2.10e-63 EMBL CAG32006 "hypothetical protein RCJMB04_15n2 [Gallus gallus]" 100.00 112 100.00 100.00 2.10e-63 EMBL CAJ81641 "transcription elongation factor B (SIII), polypeptide 1 (15kDa, elongin C) [Xenopus (Silurana) tropicalis]" 100.00 112 100.00 100.00 2.10e-63 EMBL CBN81906 "Transcription elongation factor B polypeptide 1 [Dicentrarchus labrax]" 100.00 112 100.00 100.00 2.34e-63 EMBL CDQ94726 "unnamed protein product, partial [Oncorhynchus mykiss]" 100.00 167 100.00 100.00 1.62e-62 EMBL CDQ97243 "unnamed protein product [Oncorhynchus mykiss]" 100.00 96 100.00 100.00 6.90e-64 GB AAA41109 "elongation factor SIII p15 subunit [Rattus norvegicus]" 100.00 112 100.00 100.00 2.10e-63 GB AAA67650 "RNA polymerase II elongation factor SIII, p15 subunit [Homo sapiens]" 100.00 112 100.00 100.00 2.10e-63 GB AAH09104 "Transcription elongation factor B (SIII), polypeptide 1 [Mus musculus]" 100.00 112 100.00 100.00 2.10e-63 GB AAH13809 "Transcription elongation factor B (SIII), polypeptide 1 (15kDa, elongin C) [Homo sapiens]" 100.00 112 100.00 100.00 2.10e-63 GB AAH28545 "Transcription elongation factor B (SIII), polypeptide 1 [Mus musculus]" 100.00 112 100.00 100.00 2.10e-63 PRF 2119399B "elongin C" 100.00 112 100.00 100.00 2.10e-63 REF NP_001002440 "transcription elongation factor B polypeptide 1 [Danio rerio]" 100.00 112 100.00 100.00 1.86e-63 REF NP_001004673 "transcription elongation factor B polypeptide 1 [Danio rerio]" 100.00 113 100.00 100.00 1.92e-63 REF NP_001007889 "transcription elongation factor B polypeptide 1 [Gallus gallus]" 100.00 112 100.00 100.00 2.10e-63 REF NP_001016420 "transcription elongation factor B (SIII), polypeptide 1 (15kDa, elongin C) [Xenopus (Silurana) tropicalis]" 100.00 112 100.00 100.00 2.10e-63 REF NP_001039958 "transcription elongation factor B polypeptide 1 [Bos taurus]" 100.00 112 100.00 100.00 2.10e-63 SP P83940 "RecName: Full=Transcription elongation factor B polypeptide 1; AltName: Full=Elongin 15 kDa subunit; AltName: Full=Elongin-C; S" 100.00 112 100.00 100.00 2.10e-63 SP P83941 "RecName: Full=Transcription elongation factor B polypeptide 1; AltName: Full=Elongin 15 kDa subunit; AltName: Full=Elongin-C; S" 100.00 112 100.00 100.00 2.10e-63 SP Q15369 "RecName: Full=Transcription elongation factor B polypeptide 1; AltName: Full=Elongin 15 kDa subunit; AltName: Full=Elongin-C; S" 100.00 112 100.00 100.00 2.10e-63 SP Q2KII4 "RecName: Full=Transcription elongation factor B polypeptide 1; AltName: Full=Elongin 15 kDa subunit; AltName: Full=Elongin-C; S" 100.00 112 100.00 100.00 2.10e-63 TPG DAA22672 "TPA: transcription elongation factor B polypeptide 1 [Bos taurus]" 100.00 112 100.00 100.00 2.10e-63 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $socs_box Mouse 10090 Eukaryota Metazoa Mus musculus $elonginB Mouse 10090 Eukaryota Metazoa Mus musculus $elonginC Mouse 10090 Eukaryota Metazoa Mus musculus 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 $socs_box 'recombinant technology' . Escherichia coli . pGEX-4T $elonginB 'recombinant technology' . Escherichia coli . pGEX-4T $elonginC 'recombinant technology' . Escherichia coli . pBB75eloC 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 $socs_box 1 mM '[U-100% 13C; U-100% 15N]' $elonginB 1 mM 'natural abundance' $elonginC 1 mM 'natural abundance' 'potassium chloride' 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.05 . M pH 6.7 . pH pressure 1 . atm temperature 310 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water C 13 protons ppm 4.657 internal indirect . . . 0.251449530 water H 1 protons ppm 4.657 internal direct . . . 1 water N 15 protons ppm 4.657 internal indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts _Details ; note that the numbering is not identical to the pdb file. Residues 1-15 = chain A, 1-15. Residues 40-158 = chain B 1-118. Residues 217-312 = chain C 17-112 ; loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HN(CO)CA' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'chain a' _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 VAL H H 8.539 0.020 1 2 1 1 VAL HA H 3.972 0.020 1 3 1 1 VAL HB H 1.812 0.020 1 4 1 1 VAL HG1 H 0.740 0.020 1 5 1 1 VAL HG2 H 1.083 0.020 1 6 1 1 VAL C C 172.831 0.3 1 7 1 1 VAL CA C 62.402 0.3 1 8 1 1 VAL CB C 32.454 0.3 1 9 1 1 VAL CG1 C 22.302 0.3 1 10 1 1 VAL CG2 C 22.302 0.3 1 11 1 1 VAL N N 123.578 0.3 1 12 2 2 ALA H H 8.633 0.020 1 13 2 2 ALA HA H 4.357 0.020 1 14 2 2 ALA C C 175.167 0.3 1 15 2 2 ALA CA C 52.170 0.3 1 16 2 2 ALA CB C 20.423 0.3 1 17 2 2 ALA N N 131.458 0.3 1 18 3 3 THR H H 8.315 0.020 1 19 3 3 THR HA H 4.326 0.020 1 20 3 3 THR C C 171.594 0.3 1 21 3 3 THR CA C 61.539 0.3 1 22 3 3 THR CB C 69.585 0.3 1 23 3 3 THR N N 111.063 0.3 1 24 4 4 LEU H H 11.327 0.020 1 25 4 4 LEU HA H 3.538 0.020 1 26 4 4 LEU HB2 H 1.307 0.020 2 27 4 4 LEU HB3 H 1.323 0.020 2 28 4 4 LEU HD1 H 0.306 0.020 1 29 4 4 LEU HD2 H 0.306 0.020 1 30 4 4 LEU C C 177.924 0.3 1 31 4 4 LEU CA C 57.326 0.3 1 32 4 4 LEU CB C 38.545 0.3 1 33 4 4 LEU CD1 C 25.348 0.3 1 34 4 4 LEU N N 129.773 0.3 1 35 5 5 GLN H H 8.634 0.020 1 36 5 5 GLN HA H 3.559 0.020 1 37 5 5 GLN HB2 H 2.663 0.020 1 38 5 5 GLN HB3 H 2.663 0.020 1 39 5 5 GLN HG2 H 2.001 0.020 1 40 5 5 GLN HG3 H 2.001 0.020 1 41 5 5 GLN C C 175.448 0.3 1 42 5 5 GLN CA C 60.372 0.3 1 43 5 5 GLN CB C 35.499 0.3 1 44 5 5 GLN N N 118.512 0.3 1 45 6 6 HIS H H 8.023 0.020 1 46 7 7 LEU H H 8.480 0.020 1 47 7 7 LEU HA H 3.923 0.020 1 48 7 7 LEU HD1 H 0.339 0.020 1 49 7 7 LEU HD2 H 0.952 0.020 1 50 7 7 LEU C C 178.318 0.3 1 51 7 7 LEU CA C 58.247 0.3 1 52 7 7 LEU CB C 42.300 0.3 1 53 7 7 LEU N N 119.634 0.3 1 54 8 8 CYS H H 8.691 0.020 1 55 8 8 CYS HA H 3.955 0.020 1 56 8 8 CYS HB2 H 2.591 0.020 2 57 8 8 CYS HB3 H 3.010 0.020 2 58 8 8 CYS C C 174.013 0.3 1 59 8 8 CYS CA C 64.741 0.3 1 60 8 8 CYS N N 117.355 0.3 1 61 9 9 ARG H H 8.333 0.020 1 62 9 9 ARG C C 175.560 0.3 1 63 9 9 ARG CA C 59.884 0.3 1 64 9 9 ARG N N 121.608 0.3 1 65 10 10 LYS H H 7.873 0.020 1 66 10 10 LYS HA H 4.028 0.020 1 67 10 10 LYS HB2 H 1.783 0.020 1 68 10 10 LYS HB3 H 1.783 0.020 1 69 10 10 LYS C C 176.517 0.3 1 70 10 10 LYS CA C 58.874 0.3 1 71 10 10 LYS CB C 31.596 0.3 1 72 10 10 LYS N N 117.105 0.3 1 73 11 11 THR H H 7.394 0.020 1 74 11 11 THR HA H 4.114 0.020 1 75 11 11 THR HG2 H 1.161 0.020 1 76 11 11 THR C C 174.270 0.3 1 77 11 11 THR CA C 66.970 0.3 1 78 11 11 THR N N 115.979 0.3 1 79 12 12 VAL H H 8.194 0.020 1 80 12 12 VAL HA H 3.789 0.020 1 81 12 12 VAL HB H 2.069 0.020 1 82 12 12 VAL HG1 H 0.819 0.020 1 83 12 12 VAL HG2 H 0.819 0.020 1 84 12 12 VAL C C 171.600 0.3 1 85 12 12 VAL CA C 65.955 0.3 1 86 12 12 VAL CB C 28.865 0.3 1 87 12 12 VAL N N 121.789 0.3 1 88 13 13 ASN H H 8.321 0.020 1 89 13 13 ASN HA H 4.439 0.020 1 90 13 13 ASN C C 175.470 0.3 1 91 13 13 ASN CA C 56.959 0.3 1 92 13 13 ASN CB C 41.114 0.3 1 93 13 13 ASN N N 119.100 0.3 1 94 14 14 GLY H H 7.774 0.020 1 95 14 14 GLY HA2 H 3.842 0.020 1 96 14 14 GLY C C 174.013 0.3 1 97 14 14 GLY CA C 45.957 0.3 1 98 14 14 GLY N N 105.866 0.3 1 99 15 15 HIS H H 8.040 0.020 1 100 15 15 HIS C C 174.013 0.3 1 101 15 15 HIS CA C 56.507 0.3 1 102 15 15 HIS N N 118.231 0.3 1 103 17 17 ASP CB C 41.528 0.3 1 104 18 18 SER H H 8.423 0.020 1 105 18 18 SER C C 171.734 0.3 1 106 18 18 SER CA C 59.018 0.3 1 107 18 18 SER CB C 64.122 0.3 1 108 18 18 SER N N 116.907 0.3 1 109 19 19 TYR H H 7.787 0.020 1 110 19 19 TYR C C 174.632 0.3 1 111 19 19 TYR CA C 60.550 0.3 1 112 19 19 TYR N N 113.461 0.3 1 113 20 20 GLU CB C 30.272 0.3 1 114 21 21 LYS H H 7.783 0.020 1 115 21 21 LYS C C 174.660 0.3 1 116 21 21 LYS CA C 57.254 0.3 1 117 21 21 LYS CB C 33.003 0.3 1 118 21 21 LYS N N 118.231 0.3 1 119 22 22 VAL H H 7.706 0.020 1 120 22 22 VAL HA H 4.130 0.020 1 121 22 22 VAL HB H 2.176 0.020 1 122 22 22 VAL HG1 H 0.979 0.020 1 123 22 22 VAL C C 173.338 0.3 1 124 22 22 VAL CA C 63.417 0.3 1 125 22 22 VAL CB C 32.176 0.3 1 126 22 22 VAL CG1 C 20.272 0.3 1 127 22 22 VAL N N 118.794 0.3 1 128 23 23 THR H H 7.975 0.020 1 129 23 23 THR C C 172.972 0.3 1 130 23 23 THR CA C 63.014 0.3 1 131 23 23 THR CB C 69.750 0.3 1 132 23 23 THR N N 115.710 0.3 1 133 24 24 GLN H H 7.985 0.020 1 134 24 24 GLN CA C 56.760 0.3 1 135 24 24 GLN N N 120.177 0.3 1 136 26 26 PRO CB C 32.176 0.3 1 137 27 27 GLY H H 8.447 0.020 1 138 27 27 GLY CA C 45.731 0.3 1 139 27 27 GLY N N 109.523 0.3 1 140 33 33 LEU CB C 41.694 0.3 1 141 34 34 ASP H H 7.998 0.020 1 142 34 34 ASP CA C 55.713 0.3 1 143 34 34 ASP CB C 41.197 0.3 1 144 34 34 ASP N N 118.813 0.3 1 145 35 35 GLN H H 7.497 0.020 1 146 35 35 GLN CA C 56.054 0.3 1 147 35 35 GLN CB C 29.362 0.3 1 148 35 35 GLN N N 118.231 0.3 1 149 36 36 TYR H H 7.790 0.020 1 150 36 36 TYR C C 174.294 0.3 1 151 36 36 TYR CA C 58.770 0.3 1 152 36 36 TYR CB C 39.211 0.3 1 153 36 36 TYR N N 121.608 0.3 1 154 37 37 ASP H H 8.009 0.020 1 155 37 37 ASP C C 172.269 0.3 1 156 37 37 ASP CA C 54.000 0.3 1 157 37 37 ASP CB C 41.445 0.3 1 158 37 37 ASP N N 122.452 0.3 1 159 38 38 ALA H H 7.780 0.020 1 160 38 38 ALA C C 173.310 0.3 1 161 38 38 ALA CA C 50.657 0.3 1 162 38 38 ALA N N 125.266 0.3 1 163 39 39 PRO CB C 32.258 0.3 1 164 40 40 LEU H H 7.797 0.020 1 165 40 40 LEU CA C 56.905 0.3 1 166 40 40 LEU N N 128.152 0.3 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details ; note that the numbering is not identical to the pdb file. Residues 1-15 = chain A, 1-15. Residues 40-158 = chain B 1-118. Residues 217-312 = chain C 17-112 ; loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HN(CO)CA' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'chain b' _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 51 1 MET C C 173.197 0.3 1 2 52 2 ASP H H 8.544 0.020 1 3 52 2 ASP C C 172.634 0.3 1 4 52 2 ASP CA C 54.905 0.3 1 5 52 2 ASP CB C 42.273 0.3 1 6 52 2 ASP N N 121.277 0.3 1 7 53 3 VAL H H 8.447 0.020 1 8 53 3 VAL HA H 4.644 0.020 1 9 53 3 VAL HB H 1.684 0.020 1 10 53 3 VAL HG1 H 0.502 0.020 1 11 53 3 VAL HG2 H 0.502 0.020 1 12 53 3 VAL C C 170.243 0.3 1 13 53 3 VAL CA C 60.372 0.3 1 14 53 3 VAL CB C 34.992 0.3 1 15 53 3 VAL CG1 C 19.256 0.3 1 16 53 3 VAL CG2 C 21.794 0.3 1 17 53 3 VAL N N 115.148 0.3 1 18 54 4 PHE H H 7.660 0.020 1 19 54 4 PHE HA H 4.493 0.020 1 20 54 4 PHE HB2 H 2.913 0.020 1 21 54 4 PHE HB3 H 2.913 0.020 1 22 54 4 PHE HD1 H 7.552 0.020 1 23 54 4 PHE HD2 H 7.552 0.020 1 24 54 4 PHE C C 171.425 0.3 1 25 54 4 PHE CA C 59.013 0.3 1 26 54 4 PHE CB C 39.873 0.3 1 27 54 4 PHE N N 121.608 0.3 1 28 55 5 LEU H H 8.666 0.020 1 29 55 5 LEU HA H 5.304 0.020 1 30 55 5 LEU HD1 H 0.987 0.020 1 31 55 5 LEU HD2 H 0.987 0.020 1 32 55 5 LEU C C 174.126 0.3 1 33 55 5 LEU CA C 53.265 0.3 1 34 55 5 LEU CB C 46.577 0.3 1 35 55 5 LEU CD1 C 22.911 0.3 1 36 55 5 LEU N N 121.455 0.3 1 37 56 6 MET H H 8.751 0.020 1 38 56 6 MET C C 171.931 0.3 1 39 56 6 MET CA C 54.717 0.3 1 40 56 6 MET CB C 35.983 0.3 1 41 56 6 MET N N 119.852 0.3 1 42 57 7 ILE H H 9.573 0.020 1 43 57 7 ILE HA H 5.008 0.020 1 44 57 7 ILE HD1 H 0.654 0.020 1 45 57 7 ILE HG12 H 1.336 0.020 1 46 57 7 ILE HG13 H 1.336 0.020 1 47 57 7 ILE HG2 H 0.904 0.020 1 48 57 7 ILE C C 173.591 0.3 1 49 57 7 ILE CA C 60.371 0.3 1 50 57 7 ILE CB C 38.383 0.3 1 51 57 7 ILE CD1 C 14.180 0.3 1 52 57 7 ILE CG1 C 26.870 0.3 1 53 57 7 ILE CG2 C 18.241 0.3 1 54 57 7 ILE N N 126.111 0.3 1 55 58 8 ARG H H 9.016 0.020 1 56 58 8 ARG C C 174.491 0.3 1 57 58 8 ARG CA C 55.999 0.3 1 58 58 8 ARG CB C 35.983 0.3 1 59 58 8 ARG N N 126.036 0.3 1 60 59 9 ARG H H 8.137 0.020 1 61 59 9 ARG HA H 4.342 0.020 1 62 59 9 ARG C C 172.944 0.3 1 63 59 9 ARG CA C 55.984 0.3 1 64 59 9 ARG CB C 34.245 0.3 1 65 59 9 ARG N N 118.182 0.3 1 66 60 10 HIS H H 9.963 0.020 1 67 60 10 HIS HA H 4.084 0.020 1 68 60 10 HIS C C 173.197 0.3 1 69 60 10 HIS CA C 58.322 0.3 1 70 60 10 HIS CB C 27.789 0.3 1 71 60 10 HIS N N 126.023 0.3 1 72 61 11 LYS H H 8.613 0.020 1 73 61 11 LYS C C 171.706 0.3 1 74 61 11 LYS CA C 56.715 0.3 1 75 61 11 LYS CB C 31.679 0.3 1 76 61 11 LYS N N 126.618 0.3 1 77 62 12 THR H H 8.992 0.020 1 78 62 12 THR HA H 4.993 0.020 1 79 62 12 THR HB H 4.682 0.020 1 80 62 12 THR HG2 H 1.237 0.020 1 81 62 12 THR C C 171.087 0.3 1 82 62 12 THR CA C 63.925 0.3 1 83 62 12 THR CB C 71.031 0.3 1 84 62 12 THR CG2 C 21.287 0.3 1 85 62 12 THR N N 119.671 0.3 1 86 63 13 THR H H 8.880 0.020 1 87 63 13 THR HA H 4.912 0.020 1 88 63 13 THR HG2 H 0.934 0.020 1 89 63 13 THR C C 170.553 0.3 1 90 63 13 THR CA C 63.128 0.3 1 91 63 13 THR CB C 71.488 0.3 1 92 63 13 THR N N 125.783 0.3 1 93 64 14 ILE H H 9.626 0.020 1 94 64 14 ILE HA H 4.755 0.020 1 95 64 14 ILE HB H 1.781 0.020 1 96 64 14 ILE HD1 H 0.654 0.020 1 97 64 14 ILE HG2 H 0.888 0.020 1 98 64 14 ILE C C 173.113 0.3 1 99 64 14 ILE CA C 60.284 0.3 1 100 64 14 ILE CB C 41.591 0.3 1 101 64 14 ILE CD1 C 14.180 0.3 1 102 64 14 ILE CG2 C 17.226 0.3 1 103 64 14 ILE N N 127.242 0.3 1 104 65 15 PHE H H 9.153 0.020 1 105 65 15 PHE HB2 H 3.319 0.020 1 106 65 15 PHE HB3 H 3.319 0.020 1 107 65 15 PHE HD1 H 7.477 0.020 1 108 65 15 PHE HD2 H 7.477 0.020 1 109 65 15 PHE C C 173.028 0.3 1 110 65 15 PHE CA C 58.242 0.3 1 111 65 15 PHE CB C 40.287 0.3 1 112 65 15 PHE N N 128.648 0.3 1 113 66 16 THR H H 8.500 0.020 1 114 66 16 THR HA H 4.986 0.020 1 115 66 16 THR HB H 4.675 0.020 1 116 66 16 THR HG2 H 0.850 0.020 1 117 66 16 THR C C 172.972 0.3 1 118 66 16 THR CA C 61.834 0.3 1 119 66 16 THR CB C 69.668 0.3 1 120 66 16 THR N N 118.231 0.3 1 121 67 17 ASP H H 8.139 0.020 1 122 67 17 ASP HA H 5.063 0.020 1 123 67 17 ASP HB2 H 2.327 0.020 2 124 67 17 ASP HB3 H 1.812 0.020 2 125 67 17 ASP C C 171.200 0.3 1 126 67 17 ASP CA C 51.742 0.3 1 127 67 17 ASP CB C 44.129 0.3 1 128 67 17 ASP N N 119.565 0.3 1 129 68 18 ALA H H 8.416 0.020 1 130 68 18 ALA HA H 4.311 0.020 1 131 68 18 ALA HB H 1.313 0.020 1 132 68 18 ALA C C 174.700 0.3 1 133 68 18 ALA CA C 51.489 0.3 1 134 68 18 ALA CB C 20.258 0.3 1 135 68 18 ALA N N 121.045 0.3 1 136 69 19 LYS H H 8.318 0.020 1 137 69 19 LYS C C 175.870 0.3 1 138 69 19 LYS CA C 54.877 0.3 1 139 69 19 LYS CB C 35.155 0.3 1 140 69 19 LYS N N 118.335 0.3 1 141 70 20 GLU H H 9.053 0.020 1 142 70 20 GLU HA H 3.879 0.020 1 143 70 20 GLU HB2 H 2.105 0.020 1 144 70 20 GLU HB3 H 2.105 0.020 1 145 70 20 GLU HG2 H 2.423 0.020 1 146 70 20 GLU HG3 H 2.423 0.020 1 147 70 20 GLU C C 174.266 0.3 1 148 70 20 GLU CA C 60.372 0.3 1 149 70 20 GLU CB C 30.852 0.3 1 150 70 20 GLU N N 122.171 0.3 1 151 71 21 SER H H 7.478 0.020 1 152 71 21 SER HA H 4.685 0.020 1 153 71 21 SER C C 172.888 0.3 1 154 71 21 SER CA C 58.042 0.3 1 155 71 21 SER CB C 63.709 0.3 1 156 71 21 SER N N 105.988 0.3 1 157 72 22 SER H H 7.819 0.020 1 158 72 22 SER HA H 3.941 0.020 1 159 72 22 SER C C 170.862 0.3 1 160 72 22 SER CA C 59.764 0.3 1 161 72 22 SER CB C 63.460 0.3 1 162 72 22 SER N N 121.040 0.3 1 163 73 23 THR H H 8.660 0.020 1 164 73 23 THR HA H 5.106 0.020 1 165 73 23 THR HG2 H 1.237 0.020 1 166 73 23 THR C C 173.788 0.3 1 167 73 23 THR CA C 60.721 0.3 1 168 73 23 THR CB C 72.482 0.3 1 169 73 23 THR N N 112.021 0.3 1 170 74 24 VAL H H 8.402 0.020 1 171 74 24 VAL HA H 3.317 0.020 1 172 74 24 VAL HB H 2.479 0.020 1 173 74 24 VAL HG1 H 0.828 0.020 1 174 74 24 VAL HG2 H 1.093 0.020 1 175 74 24 VAL C C 175.786 0.3 1 176 74 24 VAL CA C 66.970 0.3 1 177 74 24 VAL CB C 31.439 0.3 1 178 74 24 VAL CG1 C 21.287 0.3 1 179 74 24 VAL CG2 C 24.840 0.3 1 180 74 24 VAL N N 123.000 0.3 1 181 75 25 PHE H H 8.649 0.020 1 182 75 25 PHE HA H 3.827 0.020 1 183 75 25 PHE HB2 H 2.918 0.020 2 184 75 25 PHE HB3 H 3.130 0.020 2 185 75 25 PHE HD1 H 7.098 0.020 1 186 75 25 PHE HD2 H 7.098 0.020 1 187 75 25 PHE C C 174.154 0.3 1 188 75 25 PHE CA C 62.909 0.3 1 189 75 25 PHE CB C 40.783 0.3 1 190 75 25 PHE N N 119.895 0.3 1 191 76 26 GLU H H 7.854 0.020 1 192 76 26 GLU HA H 3.781 0.020 1 193 76 26 GLU HB2 H 2.531 0.020 1 194 76 26 GLU HB3 H 2.531 0.020 1 195 76 26 GLU HG2 H 2.070 0.020 1 196 76 26 GLU HG3 H 2.070 0.020 1 197 76 26 GLU C C 177.614 0.3 1 198 76 26 GLU CA C 60.192 0.3 1 199 76 26 GLU CB C 33.086 0.3 1 200 76 26 GLU N N 117.398 0.3 1 201 77 27 LEU H H 7.925 0.020 1 202 77 27 LEU HA H 4.076 0.020 1 203 77 27 LEU HD1 H 0.631 0.020 1 204 77 27 LEU HD2 H 0.858 0.020 1 205 77 27 LEU C C 176.300 0.3 1 206 77 27 LEU CA C 57.795 0.3 1 207 77 27 LEU N N 121.608 0.3 1 208 78 28 LYS H H 8.004 0.020 1 209 78 28 LYS C C 178.177 0.3 1 210 78 28 LYS CA C 59.102 0.3 1 211 78 28 LYS CB C 33.334 0.3 1 212 78 28 LYS N N 119.356 0.3 1 213 79 29 ARG H H 7.747 0.020 1 214 79 29 ARG C C 176.911 0.3 1 215 79 29 ARG CA C 59.003 0.3 1 216 79 29 ARG CB C 29.279 0.3 1 217 79 29 ARG N N 119.764 0.3 1 218 80 30 ILE H H 7.579 0.020 1 219 80 30 ILE HA H 3.804 0.020 1 220 80 30 ILE HB H 2.282 0.020 1 221 80 30 ILE HD1 H 0.904 0.020 1 222 80 30 ILE HG2 H 0.813 0.020 1 223 80 30 ILE C C 176.517 0.3 1 224 80 30 ILE CA C 64.940 0.3 1 225 80 30 ILE CB C 41.197 0.3 1 226 80 30 ILE CD1 C 12.658 0.3 1 227 80 30 ILE CG2 C 16.211 0.3 1 228 80 30 ILE N N 123.529 0.3 1 229 81 31 VAL H H 7.943 0.020 1 230 81 31 VAL HA H 3.206 0.020 1 231 81 31 VAL HB H 2.570 0.020 1 232 81 31 VAL HG1 H 0.783 0.020 1 233 81 31 VAL HG2 H 0.919 0.020 1 234 81 31 VAL C C 175.673 0.3 1 235 81 31 VAL CA C 67.478 0.3 1 236 81 31 VAL CB C 30.677 0.3 1 237 81 31 VAL CG1 C 21.794 0.3 1 238 81 31 VAL CG2 C 23.317 0.3 1 239 81 31 VAL N N 120.474 0.3 1 240 82 32 GLU H H 8.768 0.020 1 241 82 32 GLU HA H 3.827 0.020 1 242 82 32 GLU C C 176.320 0.3 1 243 82 32 GLU CA C 59.864 0.3 1 244 82 32 GLU CB C 30.355 0.3 1 245 82 32 GLU N N 123.055 0.3 1 246 83 33 GLY H H 7.569 0.020 1 247 83 33 GLY HA2 H 4.024 0.020 1 248 83 33 GLY C C 171.312 0.3 1 249 83 33 GLY CA C 46.666 0.3 1 250 83 33 GLY N N 105.282 0.3 1 251 84 34 ILE H H 7.233 0.020 1 252 84 34 ILE HA H 3.857 0.020 1 253 84 34 ILE HB H 1.373 0.020 1 254 84 34 ILE HD1 H 0.136 0.020 1 255 84 34 ILE HG2 H 0.681 0.020 1 256 84 34 ILE C C 174.013 0.3 1 257 84 34 ILE CA C 63.925 0.3 1 258 84 34 ILE CB C 41.083 0.3 1 259 84 34 ILE CD1 C 14.180 0.3 1 260 84 34 ILE CG2 C 18.241 0.3 1 261 84 34 ILE N N 119.075 0.3 1 262 85 35 LEU H H 8.796 0.020 1 263 85 35 LEU HA H 4.145 0.020 1 264 85 35 LEU C C 174.182 0.3 1 265 85 35 LEU CA C 54.280 0.3 1 266 85 35 LEU CB C 42.687 0.3 1 267 85 35 LEU N N 115.979 0.3 1 268 86 36 LYS H H 7.891 0.020 1 269 86 36 LYS C C 172.831 0.3 1 270 86 36 LYS CA C 57.120 0.3 1 271 86 36 LYS CB C 28.369 0.3 1 272 86 36 LYS N N 112.899 0.3 1 273 87 37 ARG H H 6.303 0.020 1 274 87 37 ARG C C 174.998 0.3 1 275 87 37 ARG CA C 50.952 0.3 1 276 87 37 ARG N N 116.299 0.3 1 277 89 39 PRO CB C 32.921 0.3 1 278 90 40 ASP H H 8.527 0.020 1 279 90 40 ASP C C 174.491 0.3 1 280 90 40 ASP CA C 55.598 0.3 1 281 90 40 ASP CB C 39.956 0.3 1 282 90 40 ASP N N 112.283 0.3 1 283 91 41 GLU H H 8.145 0.020 1 284 91 41 GLU C C 171.059 0.3 1 285 91 41 GLU CA C 55.949 0.3 1 286 91 41 GLU CB C 30.189 0.3 1 287 91 41 GLU N N 118.182 0.3 1 288 92 42 GLN H H 7.756 0.020 1 289 92 42 GLN HA H 5.371 0.020 1 290 92 42 GLN HB2 H 1.979 0.020 1 291 92 42 GLN HB3 H 1.979 0.020 1 292 92 42 GLN HG2 H 1.812 0.020 1 293 92 42 GLN HG3 H 1.812 0.020 1 294 92 42 GLN C C 173.704 0.3 1 295 92 42 GLN CA C 55.296 0.3 1 296 92 42 GLN CB C 34.741 0.3 1 297 92 42 GLN N N 117.105 0.3 1 298 93 43 ARG H H 9.210 0.020 1 299 93 43 ARG HA H 5.402 0.020 1 300 93 43 ARG C C 172.128 0.3 1 301 93 43 ARG CA C 56.119 0.3 1 302 93 43 ARG N N 122.735 0.3 1 303 94 44 LEU H H 8.104 0.020 1 304 94 44 LEU HA H 5.727 0.020 1 305 94 44 LEU HB2 H 1.199 0.020 2 306 94 44 LEU HB3 H 1.479 0.020 2 307 94 44 LEU HD1 H 0.752 0.020 1 308 94 44 LEU HD2 H 0.956 0.020 1 309 94 44 LEU C C 172.550 0.3 1 310 94 44 LEU CA C 52.250 0.3 1 311 94 44 LEU CB C 44.129 0.3 1 312 94 44 LEU CD1 C 24.332 0.3 1 313 94 44 LEU CD2 C 27.886 0.3 1 314 94 44 LEU N N 120.492 0.3 1 315 95 45 TYR H H 9.126 0.020 1 316 95 45 TYR HA H 5.216 0.020 1 317 95 45 TYR HB2 H 2.555 0.020 2 318 95 45 TYR HB3 H 2.555 0.020 2 319 95 45 TYR HD1 H 6.559 0.020 1 320 95 45 TYR HD2 H 6.559 0.020 1 321 95 45 TYR C C 173.479 0.3 1 322 95 45 TYR CA C 56.818 0.3 1 323 95 45 TYR CB C 44.507 0.3 1 324 95 45 TYR N N 118.242 0.3 1 325 96 46 LYS H H 8.715 0.020 1 326 96 46 LYS C C 173.675 0.3 1 327 96 46 LYS CA C 55.713 0.3 1 328 96 46 LYS CB C 35.735 0.3 1 329 96 46 LYS N N 121.358 0.3 1 330 97 47 ASP H H 9.719 0.020 1 331 97 47 ASP HA H 4.034 0.020 1 332 97 47 ASP HB2 H 2.827 0.020 2 333 97 47 ASP HB3 H 2.937 0.020 2 334 97 47 ASP C C 172.972 0.3 1 335 97 47 ASP CA C 57.326 0.3 1 336 97 47 ASP CB C 39.624 0.3 1 337 97 47 ASP N N 129.203 0.3 1 338 98 48 ASP H H 8.344 0.020 1 339 98 48 ASP C C 173.085 0.3 1 340 98 48 ASP CA C 54.134 0.3 1 341 98 48 ASP CB C 40.452 0.3 1 342 98 48 ASP N N 118.794 0.3 1 343 99 49 GLN H H 8.467 0.020 1 344 99 49 GLN HA H 4.440 0.020 1 345 99 49 GLN HB2 H 2.260 0.020 1 346 99 49 GLN HB3 H 2.260 0.020 1 347 99 49 GLN C C 171.762 0.3 1 348 99 49 GLN CA C 54.788 0.3 1 349 99 49 GLN CB C 30.189 0.3 1 350 99 49 GLN N N 121.277 0.3 1 351 100 50 LEU H H 8.405 0.020 1 352 100 50 LEU HA H 3.594 0.020 1 353 100 50 LEU HB2 H 1.161 0.020 2 354 100 50 LEU HB3 H 1.365 0.020 2 355 100 50 LEU HD1 H 0.343 0.020 1 356 100 50 LEU HD2 H 0.570 0.020 1 357 100 50 LEU C C 174.294 0.3 1 358 100 50 LEU CA C 55.296 0.3 1 359 100 50 LEU CB C 42.098 0.3 1 360 100 50 LEU CD1 C 23.317 0.3 1 361 100 50 LEU CD2 C 25.348 0.3 1 362 100 50 LEU N N 128.563 0.3 1 363 101 51 LEU H H 8.738 0.020 1 364 101 51 LEU HA H 4.478 0.020 1 365 101 51 LEU HD1 H 0.858 0.020 1 366 101 51 LEU HD2 H 0.858 0.020 1 367 101 51 LEU C C 172.494 0.3 1 368 101 51 LEU CA C 53.805 0.3 1 369 101 51 LEU N N 128.367 0.3 1 370 102 52 ASP CB C 43.266 0.3 1 371 103 53 ASP H H 8.104 0.020 1 372 103 53 ASP HA H 4.463 0.020 1 373 103 53 ASP HB2 H 2.549 0.020 1 374 103 53 ASP HB3 H 2.549 0.020 1 375 103 53 ASP C C 174.351 0.3 1 376 103 53 ASP CA C 57.853 0.3 1 377 103 53 ASP CB C 42.356 0.3 1 378 103 53 ASP N N 122.742 0.3 1 379 104 54 GLY H H 8.439 0.020 1 380 104 54 GLY HA2 H 3.653 0.020 1 381 104 54 GLY C C 172.466 0.3 1 382 104 54 GLY CA C 45.144 0.3 1 383 104 54 GLY N N 102.850 0.3 1 384 105 55 LYS H H 7.584 0.020 1 385 105 55 LYS HA H 4.417 0.020 1 386 105 55 LYS C C 173.816 0.3 1 387 105 55 LYS CA C 55.678 0.3 1 388 105 55 LYS CB C 34.907 0.3 1 389 105 55 LYS N N 120.482 0.3 1 390 106 56 THR H H 8.667 0.020 1 391 106 56 THR HA H 4.963 0.020 1 392 106 56 THR HB H 4.899 0.020 1 393 106 56 THR HG2 H 1.230 0.020 1 394 106 56 THR C C 174.294 0.3 1 395 106 56 THR CA C 60.653 0.3 1 396 106 56 THR CB C 71.157 0.3 1 397 106 56 THR CG2 C 22.302 0.3 1 398 106 56 THR N N 109.982 0.3 1 399 107 57 LEU H H 9.109 0.020 1 400 107 57 LEU HA H 4.099 0.020 1 401 107 57 LEU HB2 H 1.525 0.020 1 402 107 57 LEU HB3 H 1.525 0.020 1 403 107 57 LEU HD1 H 0.601 0.020 1 404 107 57 LEU HD2 H 0.601 0.020 1 405 107 57 LEU C C 178.318 0.3 1 406 107 57 LEU CA C 59.043 0.3 1 407 107 57 LEU CB C 39.053 0.3 1 408 107 57 LEU CD1 C 24.840 0.3 1 409 107 57 LEU CD2 C 24.332 0.3 1 410 107 57 LEU N N 121.874 0.3 1 411 108 58 GLY H H 9.559 0.020 1 412 108 58 GLY HA2 H 4.099 0.020 1 413 108 58 GLY HA3 H 4.000 0.020 2 414 108 58 GLY C C 175.701 0.3 1 415 108 58 GLY CA C 47.174 0.3 1 416 108 58 GLY N N 108.381 0.3 1 417 109 59 GLU H H 7.941 0.020 1 418 109 59 GLU HA H 4.084 0.020 1 419 109 59 GLU HB2 H 1.706 0.020 2 420 109 59 GLU HB3 H 2.024 0.020 2 421 109 59 GLU C C 176.039 0.3 1 422 109 59 GLU CA C 58.916 0.3 1 423 109 59 GLU CB C 30.423 0.3 1 424 109 59 GLU N N 123.279 0.3 1 425 110 60 CYS H H 7.686 0.020 1 426 110 60 CYS HB2 H 2.668 0.020 2 427 110 60 CYS HB3 H 3.221 0.020 2 428 110 60 CYS C C 171.059 0.3 1 429 110 60 CYS CA C 60.685 0.3 1 430 110 60 CYS CB C 27.886 0.3 1 431 110 60 CYS N N 116.160 0.3 1 432 111 61 GLY H H 7.595 0.020 1 433 111 61 GLY HA2 H 4.061 0.020 1 434 111 61 GLY C C 171.678 0.3 1 435 111 61 GLY CA C 44.636 0.3 1 436 111 61 GLY N N 104.223 0.3 1 437 112 62 PHE H H 8.107 0.020 1 438 112 62 PHE HD1 H 7.090 0.020 1 439 112 62 PHE HD2 H 7.090 0.020 1 440 112 62 PHE C C 169.596 0.3 1 441 112 62 PHE CA C 56.190 0.3 1 442 112 62 PHE CB C 38.135 0.3 1 443 112 62 PHE N N 122.991 0.3 1 444 113 63 THR H H 7.526 0.020 1 445 113 63 THR HA H 4.910 0.020 1 446 113 63 THR HB H 4.644 0.020 1 447 113 63 THR HG2 H 1.116 0.020 1 448 113 63 THR C C 173.338 0.3 1 449 113 63 THR CA C 58.341 0.3 1 450 113 63 THR N N 109.638 0.3 1 451 114 64 SER H H 9.581 0.020 1 452 114 64 SER HA H 4.668 0.020 1 453 114 64 SER HB2 H 4.023 0.020 1 454 114 64 SER HB3 H 4.023 0.020 1 455 114 64 SER C C 173.422 0.3 1 456 114 64 SER CA C 61.726 0.3 1 457 114 64 SER CB C 63.417 0.3 1 458 114 64 SER N N 117.672 0.3 1 459 115 65 GLN H H 8.022 0.020 1 460 115 65 GLN HA H 4.326 0.020 1 461 115 65 GLN HB2 H 2.070 0.020 1 462 115 65 GLN HB3 H 2.070 0.020 1 463 115 65 GLN HG2 H 2.441 0.020 1 464 115 65 GLN HG3 H 2.441 0.020 1 465 115 65 GLN C C 174.041 0.3 1 466 115 65 GLN CA C 57.834 0.3 1 467 115 65 GLN CB C 29.693 0.3 1 468 115 65 GLN N N 115.992 0.3 1 469 116 66 THR H H 7.567 0.020 1 470 116 66 THR HA H 4.629 0.020 1 471 116 66 THR HG2 H 1.207 0.020 1 472 116 66 THR C C 171.847 0.3 1 473 116 66 THR CA C 61.806 0.3 1 474 116 66 THR CB C 70.330 0.3 1 475 116 66 THR N N 107.702 0.3 1 476 117 67 ALA H H 8.368 0.020 1 477 117 67 ALA HA H 5.099 0.020 1 478 117 67 ALA HB H 1.661 0.020 1 479 117 67 ALA C C 172.972 0.3 1 480 117 67 ALA CA C 51.742 0.3 1 481 117 67 ALA CB C 18.749 0.3 1 482 117 67 ALA N N 130.898 0.3 1 483 118 68 ARG H H 7.385 0.020 1 484 118 68 ARG HB2 H 1.676 0.020 1 485 118 68 ARG HB3 H 1.676 0.020 1 486 118 68 ARG C C 173.450 0.3 1 487 118 68 ARG CA C 54.797 0.3 1 488 118 68 ARG N N 123.304 0.3 1 489 119 69 PRO CB C 31.596 0.3 1 490 120 70 GLN H H 9.560 0.020 1 491 120 70 GLN C C 170.778 0.3 1 492 120 70 GLN CA C 55.441 0.3 1 493 120 70 GLN CB C 28.700 0.3 1 494 120 70 GLN N N 110.299 0.3 1 495 121 71 ALA H H 7.478 0.020 1 496 121 71 ALA HA H 4.675 0.020 1 497 121 71 ALA HB H 1.222 0.020 1 498 121 71 ALA C C 174.323 0.3 1 499 121 71 ALA CA C 51.393 0.3 1 500 121 71 ALA N N 122.592 0.3 1 501 122 72 PRO HA H 4.690 0.020 1 502 122 72 PRO CB C 33.003 0.3 1 503 123 73 ALA H H 7.945 0.020 1 504 123 73 ALA HA H 5.129 0.020 1 505 123 73 ALA HB H 1.706 0.020 1 506 123 73 ALA C C 174.013 0.3 1 507 123 73 ALA CA C 51.667 0.3 1 508 123 73 ALA CB C 21.416 0.3 1 509 123 73 ALA N N 122.452 0.3 1 510 124 74 THR H H 8.420 0.020 1 511 124 74 THR HA H 5.053 0.020 1 512 124 74 THR HB H 4.743 0.020 1 513 124 74 THR HG2 H 0.995 0.020 1 514 124 74 THR C C 171.819 0.3 1 515 124 74 THR CA C 63.925 0.3 1 516 124 74 THR CB C 70.081 0.3 1 517 124 74 THR CG2 C 20.779 0.3 1 518 124 74 THR N N 117.668 0.3 1 519 125 75 VAL H H 9.334 0.020 1 520 125 75 VAL HA H 4.735 0.020 1 521 125 75 VAL HB H 1.797 0.020 1 522 125 75 VAL HG1 H 0.533 0.020 1 523 125 75 VAL HG2 H 0.533 0.020 1 524 125 75 VAL C C 172.550 0.3 1 525 125 75 VAL CA C 60.405 0.3 1 526 125 75 VAL CB C 34.990 0.3 1 527 125 75 VAL N N 131.461 0.3 1 528 126 76 GLY H H 9.381 0.020 1 529 126 76 GLY HA2 H 4.372 0.020 1 530 126 76 GLY HA3 H 4.372 0.020 1 531 126 76 GLY C C 168.864 0.3 1 532 126 76 GLY CA C 45.666 0.3 1 533 126 76 GLY N N 115.710 0.3 1 534 127 77 LEU H H 8.082 0.020 1 535 127 77 LEU HA H 5.417 0.020 1 536 127 77 LEU C C 170.187 0.3 1 537 127 77 LEU CA C 53.265 0.3 1 538 127 77 LEU CB C 45.749 0.3 1 539 127 77 LEU N N 126.018 0.3 1 540 128 78 ALA H H 9.040 0.020 1 541 128 78 ALA HA H 4.804 0.020 1 542 128 78 ALA HB H 1.509 0.020 1 543 128 78 ALA C C 173.310 0.3 1 544 128 78 ALA CA C 50.352 0.3 1 545 128 78 ALA CB C 23.734 0.3 1 546 128 78 ALA N N 127.449 0.3 1 547 129 79 PHE H H 8.825 0.020 1 548 129 79 PHE HA H 6.245 0.020 1 549 129 79 PHE HD1 H 7.182 0.020 1 550 129 79 PHE HD2 H 7.182 0.020 1 551 129 79 PHE C C 174.013 0.3 1 552 129 79 PHE CA C 53.269 0.3 1 553 129 79 PHE N N 118.465 0.3 1 554 130 80 ARG H H 7.903 0.020 1 555 130 80 ARG C C 171.847 0.3 1 556 130 80 ARG CA C 56.802 0.3 1 557 130 80 ARG CB C 31.348 0.3 1 558 130 80 ARG N N 121.889 0.3 1 559 131 81 ALA H H 8.388 0.020 1 560 131 81 ALA C C 174.351 0.3 1 561 131 81 ALA CA C 51.874 0.3 1 562 131 81 ALA CB C 19.347 0.3 1 563 131 81 ALA N N 131.246 0.3 1 564 132 82 ASP H H 8.520 0.020 1 565 132 82 ASP C C 172.438 0.3 1 566 132 82 ASP CA C 56.439 0.3 1 567 132 82 ASP CB C 39.624 0.3 1 568 132 82 ASP N N 121.329 0.3 1 569 133 83 ASP H H 8.479 0.020 1 570 133 83 ASP C C 173.028 0.3 1 571 133 83 ASP CA C 55.238 0.3 1 572 133 83 ASP CB C 40.949 0.3 1 573 133 83 ASP N N 119.193 0.3 1 574 134 84 THR H H 7.836 0.020 1 575 134 84 THR C C 172.269 0.3 1 576 134 84 THR CA C 60.084 0.3 1 577 134 84 THR N N 113.472 0.3 1 578 135 85 PHE H H 7.908 0.020 1 579 135 85 PHE C C 171.819 0.3 1 580 135 85 PHE CA C 57.705 0.3 1 581 135 85 PHE N N 121.580 0.3 1 582 137 87 ALA H H 8.262 0.020 1 583 137 87 ALA C C 175.279 0.3 1 584 137 87 ALA CA C 51.713 0.3 1 585 137 87 ALA CB C 18.685 0.3 1 586 137 87 ALA N N 122.702 0.3 1 587 138 88 LEU H H 8.144 0.020 1 588 138 88 LEU C C 174.210 0.3 1 589 138 88 LEU CA C 55.706 0.3 1 590 138 88 LEU CB C 41.445 0.3 1 591 138 88 LEU N N 124.141 0.3 1 592 139 89 CYS H H 9.134 0.020 1 593 139 89 CYS C C 170.187 0.3 1 594 139 89 CYS CA C 58.609 0.3 1 595 139 89 CYS CB C 28.617 0.3 1 596 139 89 CYS N N 130.037 0.3 1 597 140 90 ILE H H 8.675 0.020 1 598 140 90 ILE HA H 3.865 0.020 1 599 140 90 ILE HB H 1.453 0.020 1 600 140 90 ILE HD1 H 0.678 0.020 1 601 140 90 ILE HG2 H 0.548 0.020 1 602 140 90 ILE C C 173.085 0.3 1 603 140 90 ILE CA C 61.387 0.3 1 604 140 90 ILE CB C 40.068 0.3 1 605 140 90 ILE CD1 C 13.673 0.3 1 606 140 90 ILE CG2 C 17.734 0.3 1 607 140 90 ILE N N 130.376 0.3 1 608 141 91 GLU H H 8.226 0.020 1 609 141 91 GLU C C 176.320 0.3 1 610 141 91 GLU CA C 54.237 0.3 1 611 141 91 GLU N N 130.835 0.3 1 612 142 92 PRO CB C 32.424 0.3 1 613 143 93 PHE H H 7.805 0.020 1 614 143 93 PHE C C 173.366 0.3 1 615 143 93 PHE CA C 54.998 0.3 1 616 143 93 PHE CB C 38.714 0.3 1 617 143 93 PHE N N 119.356 0.3 1 618 144 94 SER H H 8.321 0.020 1 619 144 94 SER C C 170.356 0.3 1 620 144 94 SER CA C 59.123 0.3 1 621 144 94 SER CB C 64.205 0.3 1 622 144 94 SER N N 113.902 0.3 1 623 145 95 SER H H 8.210 0.020 1 624 145 95 SER C C 172.550 0.3 1 625 145 95 SER CA C 55.959 0.3 1 626 145 95 SER N N 113.472 0.3 1 627 158 108 SER CB C 64.288 0.3 1 628 159 109 GLY H H 8.482 0.020 1 629 159 109 GLY C C 171.650 0.3 1 630 159 109 GLY CA C 45.706 0.3 1 631 159 109 GLY N N 110.901 0.3 1 632 160 110 SER H H 8.140 0.020 1 633 160 110 SER C C 172.184 0.3 1 634 160 110 SER CA C 58.562 0.3 1 635 160 110 SER CB C 64.205 0.3 1 636 160 110 SER N N 115.623 0.3 1 637 161 111 SER H H 8.339 0.020 1 638 161 111 SER C C 172.719 0.3 1 639 161 111 SER CA C 58.541 0.3 1 640 161 111 SER CB C 64.205 0.3 1 641 161 111 SER N N 117.925 0.3 1 642 162 112 ALA H H 8.241 0.020 1 643 162 112 ALA C C 174.773 0.3 1 644 162 112 ALA CA C 52.988 0.3 1 645 162 112 ALA CB C 19.099 0.3 1 646 162 112 ALA N N 125.567 0.3 1 647 163 113 ASN H H 8.328 0.020 1 648 163 113 ASN C C 172.578 0.3 1 649 163 113 ASN CA C 53.512 0.3 1 650 163 113 ASN CB C 38.962 0.3 1 651 163 113 ASN N N 117.386 0.3 1 652 164 114 GLU H H 8.269 0.020 1 653 164 114 GLU C C 173.647 0.3 1 654 164 114 GLU CA C 57.080 0.3 1 655 164 114 GLU CB C 30.438 0.3 1 656 164 114 GLU N N 121.229 0.3 1 657 165 115 GLN H H 8.234 0.020 1 658 165 115 GLN C C 172.916 0.3 1 659 165 115 GLN CA C 55.919 0.3 1 660 165 115 GLN CB C 30.272 0.3 1 661 165 115 GLN N N 120.636 0.3 1 662 166 116 ALA H H 8.180 0.020 1 663 166 116 ALA C C 174.801 0.3 1 664 166 116 ALA CA C 52.647 0.3 1 665 166 116 ALA CB C 19.513 0.3 1 666 166 116 ALA N N 125.463 0.3 1 667 167 117 VAL H H 8.023 0.020 1 668 167 117 VAL C C 172.606 0.3 1 669 167 117 VAL CA C 62.459 0.3 1 670 167 117 VAL CB C 32.921 0.3 1 671 167 117 VAL N N 119.611 0.3 1 672 168 118 GLN H H 7.893 0.020 1 673 168 118 GLN CA C 57.485 0.3 1 674 168 118 GLN N N 128.925 0.3 1 stop_ save_ save_assigned_chem_shift_list_1_3 _Saveframe_category assigned_chemical_shifts _Details ; note that the numbering is not identical to the pdb file. Residues 1-15 = chain A, 1-15. Residues 40-158 = chain B 1-118. Residues 217-312 = chain C 17-112 ; loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HN(CO)CA' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'chain c' _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 1 218 2 TYR HA H 5.144 0.020 1 2 218 2 TYR HB2 H 2.918 0.020 1 3 218 2 TYR HB3 H 2.918 0.020 1 4 218 2 TYR HD1 H 6.947 0.020 1 5 218 2 TYR HD2 H 6.947 0.020 1 6 218 2 TYR C C 172.550 0.3 1 7 218 2 TYR CB C 41.776 0.3 1 8 219 3 VAL H H 9.541 0.020 1 9 219 3 VAL HA H 4.735 0.020 1 10 219 3 VAL HB H 1.888 0.020 1 11 219 3 VAL HG1 H 0.828 0.020 1 12 219 3 VAL HG2 H 0.828 0.020 1 13 219 3 VAL C C 169.652 0.3 1 14 219 3 VAL CA C 60.284 0.3 1 15 219 3 VAL CB C 35.499 0.3 1 16 219 3 VAL CG1 C 20.779 0.3 1 17 219 3 VAL CG2 C 21.287 0.3 1 18 219 3 VAL N N 118.425 0.3 1 19 220 4 LYS H H 8.580 0.020 1 20 220 4 LYS HA H 5.351 0.020 1 21 220 4 LYS HB2 H 1.691 0.020 2 22 220 4 LYS HB3 H 1.858 0.020 2 23 220 4 LYS HG2 H 1.176 0.020 2 24 220 4 LYS HG3 H 1.252 0.020 2 25 220 4 LYS C C 171.228 0.3 1 26 220 4 LYS CA C 54.788 0.3 1 27 220 4 LYS CB C 34.992 0.3 1 28 220 4 LYS CG C 24.840 0.3 1 29 220 4 LYS N N 124.384 0.3 1 30 221 5 LEU H H 9.894 0.020 1 31 221 5 LEU HA H 5.402 0.020 1 32 221 5 LEU HB2 H 2.034 0.020 2 33 221 5 LEU HB3 H 2.018 0.020 2 34 221 5 LEU C C 173.507 0.3 1 35 221 5 LEU CA C 52.758 0.3 1 36 221 5 LEU CB C 43.621 0.3 1 37 221 5 LEU CD1 C 26.870 0.3 1 38 221 5 LEU CD2 C 24.332 0.3 1 39 221 5 LEU N N 127.451 0.3 1 40 222 6 ILE H H 8.970 0.020 1 41 222 6 ILE HA H 5.538 0.020 1 42 222 6 ILE HB H 1.789 0.020 1 43 222 6 ILE HD1 H 0.821 0.020 1 44 222 6 ILE HG12 H 1.524 0.020 1 45 222 6 ILE HG13 H 1.524 0.020 1 46 222 6 ILE HG2 H 1.055 0.020 1 47 222 6 ILE C C 173.535 0.3 1 48 222 6 ILE CA C 60.371 0.3 1 49 222 6 ILE CB C 40.068 0.3 1 50 222 6 ILE CD1 C 14.180 0.3 1 51 222 6 ILE CG1 C 28.393 0.3 1 52 222 6 ILE CG2 C 17.734 0.3 1 53 222 6 ILE N N 124.332 0.3 1 54 223 7 SER H H 9.427 0.020 1 55 223 7 SER HA H 4.993 0.020 1 56 223 7 SER HB2 H 4.054 0.020 1 57 223 7 SER HB3 H 4.054 0.020 1 58 223 7 SER C C 175.082 0.3 1 59 223 7 SER CA C 59.610 0.3 1 60 223 7 SER CB C 66.605 0.3 1 61 223 7 SER N N 121.328 0.3 1 62 224 8 SER H H 9.305 0.020 1 63 224 8 SER HA H 5.000 0.020 1 64 224 8 SER HB2 H 4.069 0.020 2 65 224 8 SER HB3 H 3.834 0.020 2 66 224 8 SER C C 172.972 0.3 1 67 224 8 SER CA C 61.806 0.3 1 68 224 8 SER CB C 63.709 0.3 1 69 224 8 SER N N 121.141 0.3 1 70 225 9 ASP H H 9.739 0.020 1 71 225 9 ASP HA H 6.144 0.020 1 72 225 9 ASP HB2 H 2.933 0.020 2 73 225 9 ASP HB3 H 3.251 0.020 2 74 225 9 ASP C C 173.310 0.3 1 75 225 9 ASP CA C 52.758 0.3 1 76 225 9 ASP CB C 37.886 0.3 1 77 225 9 ASP N N 116.483 0.3 1 78 226 10 GLY H H 8.296 0.020 1 79 226 10 GLY HA2 H 3.872 0.020 1 80 226 10 GLY C C 172.494 0.3 1 81 226 10 GLY CA C 46.666 0.3 1 82 226 10 GLY N N 108.594 0.3 1 83 227 11 HIS H H 7.632 0.020 1 84 227 11 HIS HA H 4.675 0.020 1 85 227 11 HIS C C 171.453 0.3 1 86 227 11 HIS CA C 57.689 0.3 1 87 227 11 HIS CB C 33.997 0.3 1 88 227 11 HIS N N 119.300 0.3 1 89 228 12 GLU H H 9.095 0.020 1 90 228 12 GLU HA H 4.998 0.020 1 91 228 12 GLU C C 172.212 0.3 1 92 228 12 GLU CA C 54.317 0.3 1 93 228 12 GLU CB C 32.672 0.3 1 94 228 12 GLU N N 119.003 0.3 1 95 229 13 PHE H H 9.712 0.020 1 96 229 13 PHE HA H 5.553 0.020 1 97 229 13 PHE HB2 H 3.236 0.020 1 98 229 13 PHE HB3 H 3.236 0.020 1 99 229 13 PHE HD1 H 7.461 0.020 1 100 229 13 PHE HD2 H 7.461 0.020 1 101 229 13 PHE HE1 H 7.037 0.020 1 102 229 13 PHE HE2 H 7.037 0.020 1 103 229 13 PHE C C 172.100 0.3 1 104 229 13 PHE CA C 56.818 0.3 1 105 229 13 PHE CB C 41.591 0.3 1 106 229 13 PHE N N 123.776 0.3 1 107 230 14 ILE H H 9.755 0.020 1 108 230 14 ILE HA H 5.291 0.020 1 109 230 14 ILE HB H 1.911 0.020 1 110 230 14 ILE HD1 H 0.722 0.020 1 111 230 14 ILE HG12 H 1.592 0.020 1 112 230 14 ILE HG13 H 1.592 0.020 1 113 230 14 ILE HG2 H 0.934 0.020 1 114 230 14 ILE C C 172.212 0.3 1 115 230 14 ILE CA C 61.387 0.3 1 116 230 14 ILE CB C 38.545 0.3 1 117 230 14 ILE CD1 C 13.673 0.3 1 118 230 14 ILE CG2 C 18.241 0.3 1 119 230 14 ILE N N 125.807 0.3 1 120 231 15 VAL H H 8.928 0.020 1 121 231 15 VAL HA H 5.402 0.020 1 122 231 15 VAL HB H 2.425 0.020 1 123 231 15 VAL HG1 H 1.070 0.020 1 124 231 15 VAL HG2 H 1.070 0.020 1 125 231 15 VAL C C 172.663 0.3 1 126 231 15 VAL CA C 58.341 0.3 1 127 231 15 VAL CB C 36.515 0.3 1 128 231 15 VAL CG2 C 20.779 0.3 1 129 231 15 VAL N N 120.867 0.3 1 130 232 16 LYS H H 9.513 0.020 1 131 232 16 LYS C C 175.898 0.3 1 132 232 16 LYS CA C 58.202 0.3 1 133 232 16 LYS CB C 32.590 0.3 1 134 232 16 LYS N N 125.273 0.3 1 135 233 17 ARG H H 8.948 0.020 1 136 233 17 ARG HA H 3.827 0.020 1 137 233 17 ARG C C 174.238 0.3 1 138 233 17 ARG CA C 60.879 0.3 1 139 233 17 ARG CB C 30.686 0.3 1 140 233 17 ARG N N 126.607 0.3 1 141 234 18 GLU H H 9.102 0.020 1 142 234 18 GLU HA H 3.807 0.020 1 143 234 18 GLU HB2 H 1.911 0.020 1 144 234 18 GLU HB3 H 1.911 0.020 1 145 234 18 GLU HG2 H 2.214 0.020 1 146 234 18 GLU HG3 H 2.214 0.020 1 147 234 18 GLU C C 175.279 0.3 1 148 234 18 GLU CA C 59.356 0.3 1 149 234 18 GLU CB C 29.408 0.3 1 150 234 18 GLU N N 114.291 0.3 1 151 235 19 HIS H H 7.062 0.020 1 152 235 19 HIS HA H 4.256 0.020 1 153 235 19 HIS HB2 H 2.903 0.020 2 154 235 19 HIS HB3 H 3.486 0.020 2 155 235 19 HIS C C 174.463 0.3 1 156 235 19 HIS CA C 57.834 0.3 1 157 235 19 HIS CB C 30.931 0.3 1 158 235 19 HIS N N 116.198 0.3 1 159 236 20 ALA H H 7.643 0.020 1 160 236 20 ALA HA H 3.179 0.020 1 161 236 20 ALA HB H 1.289 0.020 1 162 236 20 ALA C C 174.323 0.3 1 163 236 20 ALA CA C 53.773 0.3 1 164 236 20 ALA CB C 17.734 0.3 1 165 236 20 ALA N N 122.389 0.3 1 166 237 21 LEU H H 7.343 0.020 1 167 237 21 LEU HA H 3.862 0.020 1 168 237 21 LEU HB2 H 1.789 0.020 2 169 237 21 LEU HB3 H 1.555 0.020 2 170 237 21 LEU HD1 H 0.737 0.020 1 171 237 21 LEU HD2 H 0.737 0.020 1 172 237 21 LEU C C 173.169 0.3 1 173 237 21 LEU CA C 56.311 0.3 1 174 237 21 LEU CB C 40.068 0.3 1 175 237 21 LEU CD1 C 24.840 0.3 1 176 237 21 LEU CD2 C 22.810 0.3 1 177 237 21 LEU N N 113.505 0.3 1 178 238 22 THR H H 7.022 0.020 1 179 238 22 THR HA H 3.804 0.020 1 180 238 22 THR HB H 4.675 0.020 1 181 238 22 THR HG2 H 1.358 0.020 1 182 238 22 THR C C 172.325 0.3 1 183 238 22 THR CA C 65.447 0.3 1 184 238 22 THR CB C 69.337 0.3 1 185 238 22 THR N N 113.722 0.3 1 186 239 23 SER H H 7.155 0.020 1 187 239 23 SER HA H 4.606 0.020 1 188 239 23 SER C C 171.706 0.3 1 189 239 23 SER CA C 56.199 0.3 1 190 239 23 SER CB C 63.709 0.3 1 191 239 23 SER N N 113.134 0.3 1 192 240 24 GLY H H 8.953 0.020 1 193 240 24 GLY HA2 H 4.342 0.020 1 194 240 24 GLY HA3 H 4.326 0.020 2 195 240 24 GLY C C 174.126 0.3 1 196 240 24 GLY CA C 47.682 0.3 1 197 240 24 GLY N N 119.178 0.3 1 198 241 25 THR H H 7.600 0.020 1 199 241 25 THR HA H 3.948 0.020 1 200 241 25 THR HB H 3.721 0.020 1 201 241 25 THR HG2 H 1.010 0.020 1 202 241 25 THR C C 171.790 0.3 1 203 241 25 THR CA C 65.447 0.3 1 204 241 25 THR CB C 69.508 0.3 1 205 241 25 THR CG2 C 21.287 0.3 1 206 241 25 THR N N 119.358 0.3 1 207 242 26 ILE H H 8.257 0.020 1 208 242 26 ILE HA H 3.706 0.020 1 209 242 26 ILE HB H 1.987 0.020 1 210 242 26 ILE HD1 H 0.994 0.020 1 211 242 26 ILE HG12 H 1.010 0.020 1 212 242 26 ILE HG13 H 1.010 0.020 1 213 242 26 ILE HG2 H 0.722 0.020 1 214 242 26 ILE C C 174.520 0.3 1 215 242 26 ILE CA C 66.463 0.3 1 216 242 26 ILE CB C 36.515 0.3 1 217 242 26 ILE CD1 C 13.673 0.3 1 218 242 26 ILE CG2 C 17.734 0.3 1 219 242 26 ILE N N 123.000 0.3 1 220 243 27 LYS H H 8.482 0.020 1 221 243 27 LYS HA H 3.706 0.020 1 222 243 27 LYS C C 176.123 0.3 1 223 243 27 LYS CA C 60.754 0.3 1 224 243 27 LYS CB C 30.024 0.3 1 225 243 27 LYS N N 119.733 0.3 1 226 244 28 ALA H H 7.731 0.020 1 227 244 28 ALA HA H 4.145 0.020 1 228 244 28 ALA HB H 1.533 0.020 1 229 244 28 ALA C C 177.727 0.3 1 230 244 28 ALA CA C 55.296 0.3 1 231 244 28 ALA CB C 18.241 0.3 1 232 244 28 ALA N N 120.366 0.3 1 233 245 29 MET H H 8.014 0.020 1 234 245 29 MET C C 175.504 0.3 1 235 245 29 MET CA C 58.883 0.3 1 236 245 29 MET CB C 34.162 0.3 1 237 245 29 MET N N 117.949 0.3 1 238 246 30 LEU H H 8.000 0.020 1 239 246 30 LEU C C 174.632 0.3 1 240 246 30 LEU CA C 55.598 0.3 1 241 246 30 LEU CB C 39.376 0.3 1 242 246 30 LEU N N 117.009 0.3 1 243 247 31 SER H H 7.532 0.020 1 244 247 31 SER C C 171.650 0.3 1 245 247 31 SER CA C 58.923 0.3 1 246 247 31 SER CB C 64.536 0.3 1 247 247 31 SER N N 113.690 0.3 1 248 248 32 GLY H H 7.922 0.020 1 249 248 32 GLY HA2 H 4.236 0.020 1 250 248 32 GLY C C 172.100 0.3 1 251 248 32 GLY CA C 45.065 0.3 1 252 248 32 GLY N N 110.283 0.3 1 253 251 35 GLN H H 7.963 0.020 1 254 251 35 GLN C C 172.663 0.3 1 255 251 35 GLN CA C 56.332 0.3 1 256 251 35 GLN CB C 29.445 0.3 1 257 251 35 GLN N N 119.638 0.3 1 258 252 36 PHE H H 8.129 0.020 1 259 252 36 PHE C C 171.706 0.3 1 260 252 36 PHE CA C 57.553 0.3 1 261 252 36 PHE CB C 39.790 0.3 1 262 252 36 PHE N N 119.962 0.3 1 263 253 37 ALA H H 8.248 0.020 1 264 253 37 ALA C C 175.026 0.3 1 265 253 37 ALA CA C 52.783 0.3 1 266 253 37 ALA CB C 19.596 0.3 1 267 253 37 ALA N N 125.266 0.3 1 268 254 38 GLU H H 8.455 0.020 1 269 254 38 GLU C C 173.760 0.3 1 270 254 38 GLU CA C 57.671 0.3 1 271 254 38 GLU CB C 30.189 0.3 1 272 254 38 GLU N N 119.638 0.3 1 273 255 39 ASN H H 8.248 0.020 1 274 255 39 ASN C C 174.632 0.3 1 275 255 39 ASN CA C 53.651 0.3 1 276 255 39 ASN CB C 39.211 0.3 1 277 255 39 ASN N N 117.386 0.3 1 278 256 40 GLU H H 8.097 0.020 1 279 256 40 GLU C C 173.535 0.3 1 280 256 40 GLU CA C 56.948 0.3 1 281 256 40 GLU CB C 31.017 0.3 1 282 256 40 GLU N N 120.201 0.3 1 283 257 41 THR H H 8.334 0.020 1 284 257 41 THR C C 171.481 0.3 1 285 257 41 THR CA C 62.167 0.3 1 286 257 41 THR CB C 69.750 0.3 1 287 257 41 THR N N 116.879 0.3 1 288 258 42 ASN H H 8.437 0.020 1 289 258 42 ASN HA H 4.538 0.020 1 290 258 42 ASN HB2 H 2.751 0.020 1 291 258 42 ASN HB3 H 2.751 0.020 1 292 258 42 ASN C C 170.778 0.3 1 293 258 42 ASN CA C 53.773 0.3 1 294 258 42 ASN CB C 40.618 0.3 1 295 258 42 ASN N N 123.015 0.3 1 296 259 43 GLU H H 8.116 0.020 1 297 259 43 GLU HA H 5.543 0.020 1 298 259 43 GLU HB2 H 1.858 0.020 1 299 259 43 GLU HB3 H 1.858 0.020 1 300 259 43 GLU HG2 H 2.115 0.020 2 301 259 43 GLU HG3 H 2.297 0.020 2 302 259 43 GLU C C 172.494 0.3 1 303 259 43 GLU CA C 54.788 0.3 1 304 259 43 GLU CB C 32.961 0.3 1 305 259 43 GLU CG C 36.515 0.3 1 306 259 43 GLU N N 120.201 0.3 1 307 260 44 VAL H H 8.889 0.020 1 308 260 44 VAL HA H 4.122 0.020 1 309 260 44 VAL HB H 1.828 0.020 1 310 260 44 VAL HG1 H 0.593 0.020 1 311 260 44 VAL HG2 H 0.600 0.020 1 312 260 44 VAL C C 170.384 0.3 1 313 260 44 VAL CA C 61.387 0.3 1 314 260 44 VAL CB C 34.484 0.3 1 315 260 44 VAL CG1 C 22.810 0.3 1 316 260 44 VAL CG2 C 20.779 0.3 1 317 260 44 VAL N N 122.461 0.3 1 318 261 45 ASN H H 8.431 0.020 1 319 261 45 ASN HA H 4.862 0.020 1 320 261 45 ASN HB2 H 2.539 0.020 1 321 261 45 ASN HB3 H 2.539 0.020 1 322 261 45 ASN C C 171.453 0.3 1 323 261 45 ASN CA C 52.915 0.3 1 324 261 45 ASN CB C 41.031 0.3 1 325 261 45 ASN N N 124.169 0.3 1 326 262 46 PHE H H 9.065 0.020 1 327 262 46 PHE HD1 H 7.325 0.020 1 328 262 46 PHE HD2 H 7.325 0.020 1 329 262 46 PHE C C 171.481 0.3 1 330 262 46 PHE CA C 57.000 0.3 1 331 262 46 PHE CB C 41.362 0.3 1 332 262 46 PHE N N 124.719 0.3 1 333 263 47 ARG H H 7.973 0.020 1 334 263 47 ARG C C 174.154 0.3 1 335 263 47 ARG CA C 58.122 0.3 1 336 263 47 ARG CB C 30.438 0.3 1 337 263 47 ARG N N 119.675 0.3 1 338 264 48 GLU H H 8.809 0.020 1 339 264 48 GLU C C 173.675 0.3 1 340 264 48 GLU CA C 55.849 0.3 1 341 264 48 GLU CB C 30.934 0.3 1 342 264 48 GLU N N 114.065 0.3 1 343 265 49 ILE H H 6.997 0.020 1 344 265 49 ILE HA H 4.638 0.020 1 345 265 49 ILE HB H 1.665 0.020 1 346 265 49 ILE HD1 H 0.417 0.020 1 347 265 49 ILE HG2 H 0.712 0.020 1 348 265 49 ILE C C 176.123 0.3 1 349 265 49 ILE CA C 58.341 0.3 1 350 265 49 ILE CB C 40.068 0.3 1 351 265 49 ILE CD1 C 12.658 0.3 1 352 265 49 ILE CG2 C 18.241 0.3 1 353 265 49 ILE N N 118.369 0.3 1 354 266 50 PRO CB C 32.424 0.3 1 355 267 51 SER H H 7.494 0.020 1 356 267 51 SER C C 174.942 0.3 1 357 267 51 SER CA C 62.687 0.3 1 358 267 51 SER CB C 63.295 0.3 1 359 267 51 SER N N 117.092 0.3 1 360 268 52 HIS H H 8.808 0.020 1 361 268 52 HIS C C 172.550 0.3 1 362 268 52 HIS CA C 60.834 0.3 1 363 268 52 HIS CB C 28.203 0.3 1 364 268 52 HIS N N 120.764 0.3 1 365 269 53 VAL H H 6.222 0.020 1 366 269 53 VAL HA H 3.423 0.020 1 367 269 53 VAL HB H 1.540 0.020 1 368 269 53 VAL HG1 H 0.185 0.020 1 369 269 53 VAL HG2 H 0.578 0.020 1 370 269 53 VAL C C 174.013 0.3 1 371 269 53 VAL CA C 64.432 0.3 1 372 269 53 VAL CB C 31.946 0.3 1 373 269 53 VAL CG1 C 22.302 0.3 1 374 269 53 VAL CG2 C 22.810 0.3 1 375 269 53 VAL N N 118.673 0.3 1 376 270 54 LEU H H 8.220 0.020 1 377 270 54 LEU C C 174.857 0.3 1 378 270 54 LEU CA C 57.301 0.3 1 379 270 54 LEU CB C 41.362 0.3 1 380 270 54 LEU N N 120.482 0.3 1 381 271 55 SER H H 7.785 0.020 1 382 271 55 SER C C 172.269 0.3 1 383 271 55 SER CA C 61.566 0.3 1 384 271 55 SER CB C 62.136 0.3 1 385 271 55 SER N N 111.465 0.3 1 386 272 56 LYS H H 6.128 0.020 1 387 272 56 LYS HA H 3.403 0.020 1 388 272 56 LYS HB2 H 2.327 0.020 1 389 272 56 LYS C C 176.011 0.3 1 390 272 56 LYS CA C 57.401 0.3 1 391 272 56 LYS CB C 32.010 0.3 1 392 272 56 LYS N N 122.183 0.3 1 393 273 57 VAL H H 7.602 0.020 1 394 273 57 VAL HA H 2.971 0.020 1 395 273 57 VAL HB H 1.828 0.020 1 396 273 57 VAL HG1 H 0.071 0.020 1 397 273 57 VAL HG2 H 0.472 0.020 1 398 273 57 VAL C C 173.704 0.3 1 399 273 57 VAL CA C 66.463 0.3 1 400 273 57 VAL CB C 30.423 0.3 1 401 273 57 VAL CG1 C 22.302 0.3 1 402 273 57 VAL CG2 C 22.302 0.3 1 403 273 57 VAL N N 119.919 0.3 1 404 274 58 CYS H H 7.313 0.020 1 405 274 58 CYS HA H 3.373 0.020 1 406 274 58 CYS HB2 H 2.358 0.020 2 407 274 58 CYS HB3 H 1.093 0.020 2 408 274 58 CYS C C 174.407 0.3 1 409 274 58 CYS CA C 63.925 0.3 1 410 274 58 CYS CB C 26.363 0.3 1 411 274 58 CYS N N 115.533 0.3 1 412 275 59 MET H H 7.309 0.020 1 413 275 59 MET HA H 4.235 0.020 1 414 275 59 MET C C 174.013 0.3 1 415 275 59 MET CA C 59.356 0.3 1 416 275 59 MET N N 118.512 0.3 1 417 276 60 TYR H H 8.077 0.020 1 418 276 60 TYR HA H 3.645 0.020 1 419 276 60 TYR HB2 H 3.175 0.020 2 420 276 60 TYR HB3 H 2.267 0.020 2 421 276 60 TYR HD1 H 6.773 0.020 1 422 276 60 TYR HD2 H 6.773 0.020 1 423 276 60 TYR C C 174.013 0.3 1 424 276 60 TYR CA C 62.402 0.3 1 425 276 60 TYR CB C 36.515 0.3 1 426 276 60 TYR N N 120.482 0.3 1 427 277 61 PHE H H 8.250 0.020 1 428 277 61 PHE HA H 4.259 0.020 1 429 277 61 PHE HB2 H 3.054 0.020 2 430 277 61 PHE HB3 H 3.441 0.020 2 431 277 61 PHE HD1 H 7.037 0.020 1 432 277 61 PHE HD2 H 7.037 0.020 1 433 277 61 PHE C C 174.857 0.3 1 434 277 61 PHE CA C 57.834 0.3 1 435 277 61 PHE CB C 37.530 0.3 1 436 277 61 PHE N N 118.472 0.3 1 437 278 62 THR H H 7.610 0.020 1 438 278 62 THR HA H 3.485 0.020 1 439 278 62 THR HB H 4.311 0.020 1 440 278 62 THR HG2 H 1.282 0.020 1 441 278 62 THR C C 172.888 0.3 1 442 278 62 THR CA C 65.955 0.3 1 443 278 62 THR CB C 69.001 0.3 1 444 278 62 THR N N 112.300 0.3 1 445 279 63 TYR H H 8.061 0.020 1 446 279 63 TYR HA H 4.266 0.020 1 447 279 63 TYR HB2 H 3.009 0.020 2 448 279 63 TYR HB3 H 3.266 0.020 2 449 279 63 TYR C C 172.016 0.3 1 450 279 63 TYR CA C 61.387 0.3 1 451 279 63 TYR CB C 39.053 0.3 1 452 279 63 TYR N N 123.467 0.3 1 453 280 64 LYS H H 9.141 0.020 1 454 280 64 LYS HA H 3.441 0.020 1 455 280 64 LYS HB2 H 1.646 0.020 1 456 280 64 LYS HB3 H 1.646 0.020 1 457 280 64 LYS C C 176.855 0.3 1 458 280 64 LYS CA C 59.356 0.3 1 459 280 64 LYS CB C 32.507 0.3 1 460 280 64 LYS N N 120.930 0.3 1 461 281 65 VAL H H 7.795 0.020 1 462 281 65 VAL HA H 3.448 0.020 1 463 281 65 VAL HB H 1.600 0.020 1 464 281 65 VAL HG1 H 0.722 0.020 1 465 281 65 VAL HG2 H 0.722 0.020 1 466 281 65 VAL C C 175.729 0.3 1 467 281 65 VAL CA C 66.463 0.3 1 468 281 65 VAL CB C 31.439 0.3 1 469 281 65 VAL CG2 C 22.810 0.3 1 470 281 65 VAL N N 118.714 0.3 1 471 282 66 ARG H H 7.827 0.020 1 472 282 66 ARG HA H 3.988 0.020 1 473 282 66 ARG HB2 H 1.252 0.020 1 474 282 66 ARG HB3 H 1.252 0.020 1 475 282 66 ARG C C 175.504 0.3 1 476 282 66 ARG CA C 57.326 0.3 1 477 282 66 ARG CB C 28.901 0.3 1 478 282 66 ARG N N 118.794 0.3 1 479 283 67 TYR H H 7.683 0.020 1 480 283 67 TYR HA H 4.069 0.020 1 481 283 67 TYR HB2 H 3.296 0.020 2 482 283 67 TYR HB3 H 3.069 0.020 2 483 283 67 TYR HD1 H 6.826 0.020 1 484 283 67 TYR HD2 H 6.826 0.020 1 485 283 67 TYR C C 172.550 0.3 1 486 283 67 TYR CA C 60.040 0.3 1 487 283 67 TYR CB C 38.052 0.3 1 488 283 67 TYR N N 113.640 0.3 1 489 284 68 THR H H 7.264 0.020 1 490 284 68 THR HA H 4.024 0.020 1 491 284 68 THR HB H 4.675 0.020 1 492 284 68 THR HG2 H 1.214 0.020 1 493 284 68 THR C C 171.819 0.3 1 494 284 68 THR CA C 66.082 0.3 1 495 284 68 THR CB C 69.668 0.3 1 496 284 68 THR CG2 C 20.779 0.3 1 497 284 68 THR N N 118.231 0.3 1 498 285 69 ASN H H 8.701 0.020 1 499 285 69 ASN C C 171.931 0.3 1 500 285 69 ASN CA C 54.419 0.3 1 501 285 69 ASN CB C 37.473 0.3 1 502 285 69 ASN N N 122.452 0.3 1 503 286 70 SER H H 7.684 0.020 1 504 286 70 SER C C 172.438 0.3 1 505 286 70 SER CA C 58.916 0.3 1 506 286 70 SER N N 112.979 0.3 1 507 294 78 PRO CB C 32.176 0.3 1 508 295 79 ILE H H 8.009 0.020 1 509 295 79 ILE HB H 1.815 0.020 1 510 295 79 ILE C C 171.537 0.3 1 511 295 79 ILE CA C 60.511 0.3 1 512 295 79 ILE CB C 40.575 0.3 1 513 295 79 ILE CD1 C 14.688 0.3 1 514 295 79 ILE CG2 C 17.734 0.3 1 515 295 79 ILE N N 123.859 0.3 1 516 296 80 ALA H H 8.268 0.020 1 517 296 80 ALA C C 176.067 0.3 1 518 296 80 ALA CA C 50.672 0.3 1 519 296 80 ALA N N 132.300 0.3 1 520 297 81 PRO CB C 31.762 0.3 1 521 298 82 GLU H H 9.898 0.020 1 522 298 82 GLU C C 174.323 0.3 1 523 298 82 GLU CA C 59.665 0.3 1 524 298 82 GLU CB C 33.831 0.3 1 525 298 82 GLU N N 115.135 0.3 1 526 299 83 ILE H H 7.397 0.020 1 527 299 83 ILE HA H 4.887 0.020 1 528 299 83 ILE HB H 2.024 0.020 1 529 299 83 ILE HD1 H 1.040 0.020 1 530 299 83 ILE C C 173.366 0.3 1 531 299 83 ILE CA C 60.372 0.3 1 532 299 83 ILE CB C 41.083 0.3 1 533 299 83 ILE CD1 C 15.196 0.3 1 534 299 83 ILE CG1 C 28.393 0.3 1 535 299 83 ILE CG2 C 17.734 0.3 1 536 299 83 ILE N N 112.898 0.3 1 537 300 84 ALA H H 7.191 0.020 1 538 300 84 ALA C C 175.054 0.3 1 539 300 84 ALA CA C 56.633 0.3 1 540 300 84 ALA N N 123.867 0.3 1 541 301 85 LEU H H 8.218 0.020 1 542 301 85 LEU C C 176.798 0.3 1 543 301 85 LEU CA C 58.202 0.3 1 544 301 85 LEU N N 116.554 0.3 1 545 302 86 GLU H H 8.039 0.020 1 546 302 86 GLU HA H 3.915 0.020 1 547 302 86 GLU C C 177.400 0.3 1 548 302 86 GLU CA C 59.919 0.3 1 549 302 86 GLU CB C 31.450 0.3 1 550 302 86 GLU N N 119.086 0.3 1 551 303 87 LEU H H 8.726 0.020 1 552 303 87 LEU HA H 3.648 0.020 1 553 303 87 LEU CA C 57.377 0.3 1 554 303 87 LEU N N 121.889 0.3 1 555 305 89 MET H H 8.143 0.020 1 556 306 90 ALA H H 7.745 0.020 1 557 306 90 ALA C C 175.926 0.3 1 558 306 90 ALA CA C 55.304 0.3 1 559 306 90 ALA CB C 18.520 0.3 1 560 306 90 ALA N N 122.200 0.3 1 561 307 91 ALA H H 9.034 0.020 1 562 307 91 ALA C C 176.742 0.3 1 563 307 91 ALA CA C 55.288 0.3 1 564 307 91 ALA CB C 17.527 0.3 1 565 307 91 ALA N N 121.889 0.3 1 566 308 92 ASN H H 8.573 0.020 1 567 308 92 ASN C C 175.167 0.3 1 568 308 92 ASN CA C 56.680 0.3 1 569 308 92 ASN N N 116.417 0.3 1 570 309 93 PHE H H 8.078 0.020 1 571 309 93 PHE C C 175.504 0.3 1 572 309 93 PHE CA C 61.326 0.3 1 573 309 93 PHE CB C 39.707 0.3 1 574 309 93 PHE N N 121.553 0.3 1 575 310 94 LEU H H 8.991 0.020 1 576 310 94 LEU C C 172.888 0.3 1 577 310 94 LEU CA C 55.288 0.3 1 578 310 94 LEU N N 116.261 0.3 1 stop_ save_