data_19854 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structural Characterization of the Mengovirus Leader Protein Bound to Ran GTPase by Nuclear Magnetic Resonance ; _BMRB_accession_number 19854 _BMRB_flat_file_name bmr19854.str _Entry_type original _Submission_date 2014-03-15 _Accession_date 2014-03-15 _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 Bacot-Davis Valjean R. . 2 Palmenberg Ann C. . 3 Cornilescu Claudia C. . 4 Markley John L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1150 "13C chemical shifts" 899 "15N chemical shifts" 294 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-10-07 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 19855 'Mengovirus Leader Protein Bound to Ran GTPase' 19857 'Phosphorylated Mengovirus Leader Protein' 19858 'Phosphorylated Mengovirus Leader Protein' stop_ _Original_release_date 2014-10-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Structures of Mengovirus Leader Protein, its Phosphorylated Derivatives, and in Complex with Nuclear Transport Protein, RanGTPase' _Citation_status 'in press' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bacot-Davis Valjean R. . 2 Ciomperlik J. J. . 3 Basta H. A. . 4 Cornilescu Claudia C. . 5 Palmenberg Ann C. . stop_ _Journal_abbreviation 'Proc. Nat. Acad. Sci, U.S.A.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Mengovirus Leader Protein Bound to Ran GTPase' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 24456.295 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 216 _Mol_residue_sequence ; MAAQGEPQVQFKLVLVGDGG TGKTTFVKRHLTGEFEKKYV ATLGVEVHPLVFHTNRGPIK FNVWDTAGQEKFGGLRDGYY IQAQCAIIMFDVTSRVTYKN VPNWHRDLVRVCENIPIVLC GNKVDIKDRKVKAKSIVFHR KKNLQYYDISAKSNYNFEKP FLWLARKLIGDPNLEFVAMP ALAPPEVVMDPALAAQYEHD LEVAQTTALPDEDDDL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 ALA 3 3 ALA 4 4 GLN 5 5 GLY 6 6 GLU 7 7 PRO 8 8 GLN 9 9 VAL 10 10 GLN 11 11 PHE 12 12 LYS 13 13 LEU 14 14 VAL 15 15 LEU 16 16 VAL 17 17 GLY 18 18 ASP 19 19 GLY 20 20 GLY 21 21 THR 22 22 GLY 23 23 LYS 24 24 THR 25 25 THR 26 26 PHE 27 27 VAL 28 28 LYS 29 29 ARG 30 30 HIS 31 31 LEU 32 32 THR 33 33 GLY 34 34 GLU 35 35 PHE 36 36 GLU 37 37 LYS 38 38 LYS 39 39 TYR 40 40 VAL 41 41 ALA 42 42 THR 43 43 LEU 44 44 GLY 45 45 VAL 46 46 GLU 47 47 VAL 48 48 HIS 49 49 PRO 50 50 LEU 51 51 VAL 52 52 PHE 53 53 HIS 54 54 THR 55 55 ASN 56 56 ARG 57 57 GLY 58 58 PRO 59 59 ILE 60 60 LYS 61 61 PHE 62 62 ASN 63 63 VAL 64 64 TRP 65 65 ASP 66 66 THR 67 67 ALA 68 68 GLY 69 69 GLN 70 70 GLU 71 71 LYS 72 72 PHE 73 73 GLY 74 74 GLY 75 75 LEU 76 76 ARG 77 77 ASP 78 78 GLY 79 79 TYR 80 80 TYR 81 81 ILE 82 82 GLN 83 83 ALA 84 84 GLN 85 85 CYS 86 86 ALA 87 87 ILE 88 88 ILE 89 89 MET 90 90 PHE 91 91 ASP 92 92 VAL 93 93 THR 94 94 SER 95 95 ARG 96 96 VAL 97 97 THR 98 98 TYR 99 99 LYS 100 100 ASN 101 101 VAL 102 102 PRO 103 103 ASN 104 104 TRP 105 105 HIS 106 106 ARG 107 107 ASP 108 108 LEU 109 109 VAL 110 110 ARG 111 111 VAL 112 112 CYS 113 113 GLU 114 114 ASN 115 115 ILE 116 116 PRO 117 117 ILE 118 118 VAL 119 119 LEU 120 120 CYS 121 121 GLY 122 122 ASN 123 123 LYS 124 124 VAL 125 125 ASP 126 126 ILE 127 127 LYS 128 128 ASP 129 129 ARG 130 130 LYS 131 131 VAL 132 132 LYS 133 133 ALA 134 134 LYS 135 135 SER 136 136 ILE 137 137 VAL 138 138 PHE 139 139 HIS 140 140 ARG 141 141 LYS 142 142 LYS 143 143 ASN 144 144 LEU 145 145 GLN 146 146 TYR 147 147 TYR 148 148 ASP 149 149 ILE 150 150 SER 151 151 ALA 152 152 LYS 153 153 SER 154 154 ASN 155 155 TYR 156 156 ASN 157 157 PHE 158 158 GLU 159 159 LYS 160 160 PRO 161 161 PHE 162 162 LEU 163 163 TRP 164 164 LEU 165 165 ALA 166 166 ARG 167 167 LYS 168 168 LEU 169 169 ILE 170 170 GLY 171 171 ASP 172 172 PRO 173 173 ASN 174 174 LEU 175 175 GLU 176 176 PHE 177 177 VAL 178 178 ALA 179 179 MET 180 180 PRO 181 181 ALA 182 182 LEU 183 183 ALA 184 184 PRO 185 185 PRO 186 186 GLU 187 187 VAL 188 188 VAL 189 189 MET 190 190 ASP 191 191 PRO 192 192 ALA 193 193 LEU 194 194 ALA 195 195 ALA 196 196 GLN 197 197 TYR 198 198 GLU 199 199 HIS 200 200 ASP 201 201 LEU 202 202 GLU 203 203 VAL 204 204 ALA 205 205 GLN 206 206 THR 207 207 THR 208 208 ALA 209 209 LEU 210 210 PRO 211 211 ASP 212 212 GLU 213 213 ASP 214 214 ASP 215 215 ASP 216 216 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 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 19852 entity 100.00 216 100.00 100.00 1.48e-158 PDB 1A2K "Gdpran-Ntf2 Complex" 100.00 216 100.00 100.00 1.48e-158 PDB 1BYU "Canine Gdp-Ran" 100.00 216 99.54 99.54 1.31e-157 PDB 1I2M "Ran-Rcc1-So4 Complex" 100.00 216 100.00 100.00 1.48e-158 PDB 1IBR "Complex Of Ran With Importin Beta" 100.00 216 100.00 100.00 1.48e-158 PDB 1K5D "Crystal Structure Of Ran-Gppnhp-Ranbp1-Rangap Complex" 100.00 216 100.00 100.00 1.48e-158 PDB 1K5G "Crystal Structure Of Ran-Gdp-Alfx-Ranbp1-Rangap Complex" 100.00 216 100.00 100.00 1.48e-158 PDB 1QBK "Structure Of The Karyopherin Beta2-ran Gppnhp Nuclear Transport Complex" 100.00 216 98.61 98.61 2.14e-155 PDB 1QG2 "Canine Gdp-Ran R76e Mutant" 100.00 216 99.54 99.54 1.10e-157 PDB 1QG4 "Canine Gdp-Ran F72y Mutant" 100.00 216 99.54 100.00 4.78e-158 PDB 1RRP "Structure Of The Ran-Gppnhp-Ranbd1 Complex" 94.44 204 100.00 100.00 8.97e-149 PDB 1WA5 "Crystal Structure Of The Exportin Cse1p Complexed With Its Cargo (Kap60p) And Rangtp" 81.48 176 100.00 100.00 3.46e-127 PDB 2BKU "Kap95p:rangtp Complex" 81.94 177 99.44 99.44 1.14e-126 PDB 2MMC "Nucleotide-free Human Ran Gtpase" 100.00 216 100.00 100.00 1.48e-158 PDB 2MMG "Structural Characterization Of The Mengovirus Leader Protein Bound To Ran Gtpase By Nuclear Magnetic Resonance" 100.00 216 100.00 100.00 1.48e-158 PDB 3A6P "Crystal Structure Of Exportin-5:rangtp:pre-Mirna Complex" 100.00 216 100.00 100.00 1.48e-158 PDB 3CH5 "The Crystal Structure Of The Rangdp-Nup153znf2 Complex" 100.00 216 100.00 100.00 1.48e-158 PDB 3EA5 "Kap95p Binding Induces The Switch Loops Of Rangdp To Adopt The Gtp- Bound Conformation: Implications For Nuclear Import Complex" 100.00 216 99.54 99.54 1.07e-157 PDB 3GJ0 "Crystal Structure Of Human Rangdp" 99.54 221 100.00 100.00 1.91e-157 PDB 3GJ3 "Crystal Structure Of Human Rangdp-Nup153znf2 Complex" 99.54 221 100.00 100.00 1.91e-157 PDB 3GJ4 "Crystal Structure Of Human Rangdp-Nup153znf3 Complex" 99.54 221 99.53 99.53 2.60e-156 PDB 3GJ5 "Crystal Structure Of Human Rangdp-Nup153znf4 Complex" 99.54 221 99.53 99.53 2.60e-156 PDB 3GJ6 "Crystal Structure Of Human Rangdp-Nup153znf1 Complex" 99.54 221 99.53 99.53 2.60e-156 PDB 3GJ7 "Crystal Structure Of Human Rangdp-Nup153znf12 Complex" 99.54 221 99.53 99.53 2.60e-156 PDB 3GJ8 "Crystal Structure Of Human Rangdp-Nup153znf34 Complex" 99.54 221 99.53 99.53 2.60e-156 PDB 3GJX "Crystal Structure Of The Nuclear Export Complex Crm1- Snurportin1-Rangtp" 100.00 216 99.54 99.54 2.14e-157 PDB 3NBY "Crystal Structure Of The Pki Nes-Crm1-Rangtp Nuclear Export Complex" 81.48 176 99.43 99.43 6.92e-126 PDB 3NBZ "Crystal Structure Of The Hiv-1 Rev Nes-Crm1-Rangtp Nuclear Export Complex (Crystal I)" 81.48 176 99.43 99.43 6.92e-126 PDB 3NC0 "Crystal Structure Of The Hiv-1 Rev Nes-Crm1-Rangtp Nuclear Export Complex (Crystal Ii)" 81.48 176 99.43 99.43 6.92e-126 PDB 3NC1 "Crystal Structure Of The Crm1-Rangtp Complex" 83.33 182 99.44 99.44 2.77e-129 PDB 3RAN "Canine Gdp-Ran Q69l Mutant" 100.00 216 99.54 99.54 2.14e-157 PDB 3W3Z "Crystal Structure Of Kap121p Bound To Rangtp" 81.48 176 100.00 100.00 3.46e-127 PDB 3ZJY "Crystal Structure Of Importin 13 - Rangtp - Eif1a Complex" 83.33 180 99.44 99.44 3.66e-129 PDB 4C0Q "Transportin 3 In Complex With Ran(q69l)gtp" 99.54 215 99.53 99.53 2.56e-156 PDB 4GMX "Crystal Structure Of Kpt185 In Complex With Crm1-Ran-Ranbp1" 100.00 216 100.00 100.00 1.48e-158 PDB 4GPT "Crystal Structure Of Kpt251 In Complex With Crm1-ran-ranbp1" 100.00 216 100.00 100.00 1.48e-158 PDB 4HAT "Crystal Structure Of Crm1 Inhibitor Leptomycin B In Complex With Crm1- Ran-ranbp1" 100.00 216 100.00 100.00 1.48e-158 PDB 4HAU "Crystal Structure Of Crm1 Inhibitor Ratjadone A In Complex With Crm1- Ran-ranbp1" 100.00 216 100.00 100.00 1.48e-158 PDB 4HAV "Crystal Structure Of Crm1 Inhibitor Anguinomycin A In Complex With Crm1-ran-ranbp1" 100.00 216 100.00 100.00 1.48e-158 PDB 4HAW "Crystal Structure Of Crm1 Inhibitor Leptomycin B In Complex With Crm1(k548a)-ran-ranbp1" 100.00 216 100.00 100.00 1.48e-158 PDB 4HAX "Crystal Structure Of Crm1 Inhibitor Ratjadone A In Complex With Crm1(k579a)-ran-ranbp1" 100.00 216 100.00 100.00 1.48e-158 PDB 4HAY "Crystal Structure Of Crm1 Inhibitor Leptomycin B In Complex With Crm1(k548e,k579q)-ran-ranbp1" 100.00 216 100.00 100.00 1.48e-158 PDB 4HAZ "Crystal Structure Of Crm1 Inhibitor Leptomycin B In Complex With Crm1(r543s,k548e,k579q)-ran-ranbp1" 100.00 216 100.00 100.00 1.48e-158 PDB 4HB0 "Crystal Structure Of Crm1 Inhibitor Leptomycin B In Complex With Crm1(k541q,k542q,r543s,k545q,k548q,k579q)-ran-ranbp1" 100.00 216 100.00 100.00 1.48e-158 PDB 4HB2 "Crystal Structure Of Crm1-ran-ranbp1" 100.00 216 100.00 100.00 1.48e-158 PDB 4HB3 "Crystal Structure Of Crm1(t539s)-ran-ranbp1 With Weakly Bound Unmodeled Leptomycin B" 100.00 216 100.00 100.00 1.48e-158 PDB 4HB4 "Crystal Structure Of Crm1 Inhibitor Leptomycin B In Complex With Crm1(537dltvk541/glceq)-ran-ranbp1" 100.00 216 100.00 100.00 1.48e-158 PDB 4OL0 "Crystal Structure Of Transportin-sr2, A Karyopherin Involved In Human Disease, In Complex With Ran" 100.00 216 100.00 100.00 1.48e-158 PDB 4WVF "Crystal Structure Of Kpt276 In Complex With Crm1-ran-ranbp1" 100.00 216 100.00 100.00 1.48e-158 PDB 5BXQ "Structure Of The Ntf2:rangdp Complex" 100.00 216 100.00 100.00 1.48e-158 PDB 5CIQ "Ran Gdp Wild Type Tetragonal Crystal Form" 100.00 216 100.00 100.00 1.48e-158 PDB 5CIT "Ran Gdp Wild Type Monoclinic Crystal Form" 100.00 216 100.00 100.00 1.48e-158 PDB 5CIW "Ran Gdp Y39a Mutant Monoclinic Crystal Form" 100.00 216 99.54 99.54 2.31e-157 PDB 5CJ2 "Ran Gdp Y39a Mutant Triclinic Crystal Form" 100.00 216 99.54 99.54 2.31e-157 PDB 5CLL "Truncated Ran Wild Type In Complex With Gdp-bef And Ranbd1" 88.43 191 100.00 100.00 5.89e-139 PDB 5CLQ "Ran Y39a In Complex With Gppnhp And Ranbd1" 100.00 216 99.54 99.54 2.31e-157 PDB 5DH9 "Crystal Structure Of Pki Nes Flip Mutant Peptide In Complex With Crm1- Ran-ranbp1" 100.00 237 100.00 100.00 1.23e-158 PDB 5DHA "Crystal Structure Of Cpeb4 Nes Reverse Mutant Peptide In Complex With Crm1-ran-ranbp1" 100.00 237 100.00 100.00 1.23e-158 PDB 5DHF "Crystal Structure Of Hrio2 Nes Peptide In Complex With Crm1-ran-ranbp1" 100.00 237 100.00 100.00 1.23e-158 PDB 5DI9 "Crystal Structure Of Hrio2 Nes Reverse Mutant Peptide In Complex With Crm1-ran-ranbp1" 100.00 237 100.00 100.00 1.23e-158 PDB 5DIF "Crystal Structure Of Cpeb4 Nes Peptide In Complex With Crm1-ran-ranbp1" 100.00 237 100.00 100.00 1.23e-158 PDB 5DIS "Crystal Structure Of A Crm1-rangtp-spn1 Export Complex Bound To A 113 Amino Acid Fg-repeat Containing Fragment Of Nup214" 79.63 172 99.42 99.42 1.87e-122 DBJ BAA89696 "ran GTP-binding protein [Xenopus laevis]" 100.00 216 98.15 98.61 2.24e-155 DBJ BAB27034 "unnamed protein product [Mus musculus]" 100.00 216 100.00 100.00 1.48e-158 DBJ BAB27105 "unnamed protein product [Mus musculus]" 100.00 216 99.07 99.07 3.68e-156 DBJ BAB93486 "member RAS oncogene family [Homo sapiens]" 59.26 128 100.00 100.00 1.07e-87 DBJ BAC36040 "unnamed protein product [Mus musculus]" 100.00 216 100.00 100.00 1.48e-158 EMBL CAA10191 "Ran protein [Salmo salar]" 71.76 156 98.06 99.35 3.50e-108 EMBL CAA47355 "ras-like protein [Gallus gallus]" 100.00 216 98.61 99.54 5.86e-157 EMBL CAA77980 "Ran [Canis lupus familiaris]" 100.00 216 100.00 100.00 1.48e-158 EMBL CAG29343 "RAN [Homo sapiens]" 100.00 216 100.00 100.00 1.48e-158 EMBL CAH92646 "hypothetical protein [Pongo abelii]" 59.26 128 100.00 100.00 1.07e-87 GB AAA36546 "ras-like protein [Homo sapiens]" 100.00 216 100.00 100.00 1.48e-158 GB AAA64247 "Ran [Mus musculus]" 100.00 216 100.00 100.00 1.48e-158 GB AAB24940 "Ran/TC4 gene product nuclear GTP-binding protein [human, Peptide, 216 aa]" 100.00 216 100.00 100.00 1.48e-158 GB AAB50841 "GTP-binding protein [Mus sp.]" 100.00 216 100.00 100.00 1.48e-158 GB AAC05840 "androgen receptor associated protein 24 [Homo sapiens]" 100.00 216 100.00 100.00 1.48e-158 PRF 1814339A "ras-like protein [Gallus gallus]" 100.00 216 98.61 99.54 5.86e-157 REF NP_001004829 "GTP-binding nuclear protein Ran [Xenopus (Silurana) tropicalis]" 100.00 216 97.69 98.15 1.21e-154 REF NP_001029877 "GTP-binding nuclear protein Ran [Bos taurus]" 100.00 216 100.00 100.00 1.48e-158 REF NP_001080182 "GTP-binding nuclear protein Ran [Xenopus laevis]" 100.00 216 98.15 98.61 4.51e-155 REF NP_001126549 "GTP-binding nuclear protein Ran isoform 2 [Pongo abelii]" 59.26 128 100.00 100.00 1.07e-87 REF NP_001128547 "RAN, member RAS oncogene family [Xenopus laevis]" 100.00 216 98.15 98.61 2.24e-155 SP P42558 "RecName: Full=GTP-binding nuclear protein Ran; AltName: Full=GTPase Ran; AltName: Full=Ras-like protein TC4; AltName: Full=Ras-" 100.00 216 98.61 99.54 5.86e-157 SP P52301 "RecName: Full=GTP-binding nuclear protein Ran; AltName: Full=GTPase Ran; AltName: Full=Ras-like protein TC4; AltName: Full=Ras-" 100.00 216 98.15 98.61 2.24e-155 SP P62825 "RecName: Full=GTP-binding nuclear protein Ran; AltName: Full=GTPase Ran; AltName: Full=Ras-like protein TC4; AltName: Full=Ras-" 100.00 216 100.00 100.00 1.48e-158 SP P62826 "RecName: Full=GTP-binding nuclear protein Ran; AltName: Full=Androgen receptor-associated protein 24; AltName: Full=GTPase Ran;" 100.00 216 100.00 100.00 1.48e-158 SP P62827 "RecName: Full=GTP-binding nuclear protein Ran; AltName: Full=GTPase Ran; AltName: Full=Ras-like protein TC4; AltName: Full=Ras-" 100.00 216 100.00 100.00 1.48e-158 TPG DAA20795 "TPA: GTP-binding nuclear protein Ran [Bos taurus]" 65.28 141 100.00 100.00 1.49e-98 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity Human 9606 Eukaryota Metazoa Homo sapiens 'RAN GTPASE' 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 _Details $entity 'recombinant technology' . Escherichia coli BL21 pET23A 'HEXA-HISTIDINE TAGGED HUMAN RAN GTPASE' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'RAN GTPASE TITRATED WITH UNLABELED L MENGO. BUFFER:20mM HEPES (pH 7.4), 100mM KCl (99.9% purity), 2mM MgCl2 (99.9% purity), 2mM DTT, and 0.04% NaN3.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.5 mM '[U-100% 13C; U-100% 15N]' 'L MENGO' 0.5 mM 'natural abundance' HEPES 20 mM 'natural abundance' 'potassium chloride' 100 mM 'natural abundance' 'magnesium chloride' 2 mM 'natural abundance' DTT 2 mM 'natural abundance' 'sodium azide' 0.04 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_SPARTA+ _Saveframe_category software _Name SPARTA+ _Version . loop_ _Vendor _Address _Electronic_address 'Shen and Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Kurt W. Thrich, Swiss Federal Institute of Technology ETH' . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'Dexter, NMR FAM Madison, WI' 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_HCCH-TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_31-P_10 _Saveframe_category NMR_applied_experiment _Experiment_name 31-P _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' 102 . mM pH 7.4 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 DSS P 31 'methyl protons' ppm 0.00 na indirect . . . 0.404808636 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HCCH-TOCSY' '3D CBCA(CO)NH' '3D C(CO)NH' '3D H(CCO)NH' '3D HNCACB' '3D 1H-15N NOESY' '3D 1H-13C NOESY' 31-P 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 entity _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 HB2 H 1.862 0.020 2 2 1 1 MET HB3 H 1.993 0.020 2 3 1 1 MET HG2 H 2.253 0.020 2 4 1 1 MET HG3 H 2.386 0.020 2 5 1 1 MET H H 8.113 0.020 1 6 1 1 MET C C 175.979 0.3 1 7 1 1 MET CA C 52.236 0.3 1 8 1 1 MET CB C 33.496 0.3 1 9 1 1 MET N N 112.170 0.3 1 10 2 2 ALA H H 10.644 0.020 1 11 2 2 ALA HB H 1.300 0.020 1 12 2 2 ALA C C 187.031 0.3 1 13 2 2 ALA CA C 53.407 0.3 1 14 2 2 ALA CB C 20.027 0.3 1 15 2 2 ALA N N 131.228 0.3 1 16 3 3 ALA H H 8.669 0.020 1 17 3 3 ALA HB H 1.343 0.020 1 18 3 3 ALA C C 176.566 0.3 1 19 3 3 ALA CA C 49.894 0.3 1 20 3 3 ALA CB C 18.270 0.3 1 21 3 3 ALA N N 124.521 0.3 1 22 4 4 GLN H H 8.919 0.020 1 23 4 4 GLN HB2 H 1.999 0.020 2 24 4 4 GLN HB3 H 2.092 0.020 2 25 4 4 GLN HG2 H 2.147 0.020 2 26 4 4 GLN HG3 H 2.186 0.020 2 27 4 4 GLN HE21 H 7.384 0.020 1 28 4 4 GLN HE22 H 6.875 0.020 1 29 4 4 GLN C C 176.273 0.3 1 30 4 4 GLN CA C 54.579 0.3 1 31 4 4 GLN CB C 27.054 0.3 1 32 4 4 GLN N N 118.080 0.3 1 33 4 4 GLN NE2 N 114.539 0.3 1 34 5 5 GLY H H 8.082 0.020 1 35 5 5 GLY HA2 H 4.069 0.020 2 36 5 5 GLY HA3 H 4.147 0.020 2 37 5 5 GLY C C 181.877 0.3 1 38 5 5 GLY CA C 45.794 0.3 1 39 5 5 GLY N N 121.002 0.3 1 40 6 6 GLU H H 9.267 0.020 1 41 6 6 GLU HB2 H 1.920 0.020 2 42 6 6 GLU HB3 H 1.960 0.020 2 43 6 6 GLU HG2 H 2.260 0.020 2 44 6 6 GLU HG3 H 2.240 0.020 2 45 6 6 GLU C C 176.566 0.3 1 46 6 6 GLU CA C 56.336 0.3 1 47 6 6 GLU CB C 28.811 0.3 1 48 6 6 GLU N N 129.435 0.3 1 49 7 7 PRO HB2 H 2.069 0.020 2 50 7 7 PRO HB3 H 2.249 0.020 2 51 7 7 PRO HG2 H 1.868 0.020 2 52 7 7 PRO HG3 H 1.932 0.020 2 53 7 7 PRO HD2 H 3.673 0.020 2 54 7 7 PRO HD3 H 3.837 0.020 2 55 7 7 PRO C C 176.566 0.3 1 56 7 7 PRO CA C 63.672 0.3 1 57 7 7 PRO CB C 31.146 0.3 1 58 7 7 PRO N N 118.677 0.3 1 59 8 8 GLN H H 6.220 0.020 1 60 8 8 GLN HB2 H 1.727 0.020 2 61 8 8 GLN HB3 H 1.853 0.020 2 62 8 8 GLN HG2 H 2.001 0.020 2 63 8 8 GLN HG3 H 2.267 0.020 2 64 8 8 GLN HE21 H 7.316 0.020 1 65 8 8 GLN HE22 H 6.875 0.020 1 66 8 8 GLN C C 177.445 0.3 1 67 8 8 GLN CA C 50.479 0.3 1 68 8 8 GLN CB C 28.811 0.3 1 69 8 8 GLN N N 112.502 0.3 1 70 8 8 GLN NE2 N 119.882 0.3 1 71 9 9 VAL H H 6.561 0.020 1 72 9 9 VAL HG1 H 0.682 0.020 2 73 9 9 VAL HG2 H 0.932 0.020 2 74 9 9 VAL C C 178.324 0.3 1 75 9 9 VAL CA C 63.363 0.3 1 76 9 9 VAL CB C 34.668 0.3 1 77 9 9 VAL CG1 C 20.304 0.3 1 78 9 9 VAL CG2 C 21.476 0.3 1 79 9 9 VAL N N 117.416 0.3 1 80 10 10 GLN H H 7.847 0.020 1 81 10 10 GLN HB2 H 2.086 0.020 2 82 10 10 GLN HB3 H 2.172 0.020 2 83 10 10 GLN HG2 H 2.274 0.020 2 84 10 10 GLN HG3 H 2.571 0.020 2 85 10 10 GLN HE21 H 7.433 0.020 1 86 10 10 GLN HE22 H 7.042 0.020 1 87 10 10 GLN C C 176.273 0.3 1 88 10 10 GLN CA C 55.164 0.3 1 89 10 10 GLN CB C 28.226 0.3 1 90 10 10 GLN N N 113.896 0.3 1 91 10 10 GLN NE2 N 111.231 0.3 1 92 11 11 PHE H H 8.262 0.020 1 93 11 11 PHE HB2 H 3.009 0.020 2 94 11 11 PHE HB3 H 3.189 0.020 2 95 11 11 PHE HD1 H 7.061 0.020 3 96 11 11 PHE HD2 H 7.042 0.020 3 97 11 11 PHE HE1 H 7.120 0.020 3 98 11 11 PHE HE2 H 7.100 0.020 3 99 11 11 PHE HZ H 6.983 0.020 1 100 11 11 PHE C C 176.566 0.3 1 101 11 11 PHE CA C 59.849 0.3 1 102 11 11 PHE CB C 41.109 0.3 1 103 11 11 PHE CD1 C 131.439 0.3 1 104 11 11 PHE CD2 C 129.388 0.3 1 105 11 11 PHE CE1 C 132.904 0.3 1 106 11 11 PHE CE2 C 132.025 0.3 1 107 11 11 PHE CZ C 128.509 0.3 1 108 11 11 PHE N N 118.744 0.3 1 109 12 12 LYS H H 10.015 0.020 1 110 12 12 LYS HB2 H 1.790 0.020 2 111 12 12 LYS HB3 H 1.829 0.020 2 112 12 12 LYS HG2 H 1.399 0.020 2 113 12 12 LYS HG3 H 1.418 0.020 2 114 12 12 LYS HD2 H 1.604 0.020 2 115 12 12 LYS HD3 H 1.624 0.020 2 116 12 12 LYS HE2 H 2.829 0.020 2 117 12 12 LYS HE3 H 2.907 0.020 2 118 12 12 LYS HZ H 7.452 0.020 1 119 12 12 LYS C C 178.609 0.3 1 120 12 12 LYS CA C 57.808 0.3 1 121 12 12 LYS N N 129.437 0.3 1 122 12 12 LYS NZ N 49.890 0.3 1 123 13 13 LEU H H 6.905 0.020 1 124 13 13 LEU HB2 H 1.829 0.020 2 125 13 13 LEU HB3 H 1.945 0.020 2 126 13 13 LEU HD1 H 1.704 0.020 2 127 13 13 LEU HD2 H 1.978 0.020 2 128 13 13 LEU C C 177.738 0.3 1 129 13 13 LEU CA C 54.579 0.3 1 130 13 13 LEU CB C 42.866 0.3 1 131 13 13 LEU CD1 C 22.062 0.3 1 132 13 13 LEU CD2 C 22.941 0.3 1 133 13 13 LEU N N 112.103 0.3 1 134 14 14 VAL H H 8.305 0.020 1 135 14 14 VAL HG1 H 0.820 0.020 2 136 14 14 VAL HG2 H 0.931 0.020 2 137 14 14 VAL C C 175.393 0.3 1 138 14 14 VAL CA C 70.976 0.3 1 139 14 14 VAL CB C 28.811 0.3 1 140 14 14 VAL CG1 C 21.183 0.3 1 141 14 14 VAL CG2 C 22.062 0.3 1 142 14 14 VAL N N 127.310 0.3 1 143 15 15 LEU H H 7.718 0.020 1 144 15 15 LEU HB2 H 1.228 0.020 2 145 15 15 LEU HB3 H 1.355 0.020 2 146 15 15 LEU HD1 H 0.729 0.020 2 147 15 15 LEU HD2 H 0.758 0.020 2 148 15 15 LEU C C 177.730 0.3 1 149 15 15 LEU CA C 55.758 0.3 1 150 15 15 LEU CD1 C 24.410 0.3 1 151 15 15 LEU CD2 C 20.308 0.3 1 152 15 15 LEU N N 128.640 0.3 1 153 16 16 VAL H H 8.935 0.020 1 154 16 16 VAL HG1 H 0.820 0.020 2 155 16 16 VAL HG2 H 0.945 0.020 2 156 16 16 VAL C C 178.324 0.3 1 157 16 16 VAL CA C 63.363 0.3 1 158 16 16 VAL CB C 35.839 0.3 1 159 16 16 VAL CG1 C 20.304 0.3 1 160 16 16 VAL CG2 C 20.890 0.3 1 161 16 16 VAL N N 121.267 0.3 1 162 17 17 GLY H H 9.682 0.020 1 163 17 17 GLY HA2 H 3.991 0.020 2 164 17 17 GLY HA3 H 4.171 0.020 2 165 17 17 GLY C C 174.514 0.3 1 166 17 17 GLY CA C 42.281 0.3 1 167 17 17 GLY N N 107.908 0.3 1 168 18 18 ASP H H 8.282 0.020 1 169 18 18 ASP HB2 H 2.774 0.020 2 170 18 18 ASP HB3 H 2.618 0.020 2 171 18 18 ASP C C 176.851 0.3 1 172 18 18 ASP CA C 57.515 0.3 1 173 18 18 ASP CB C 46.090 0.3 1 174 18 18 ASP N N 125.054 0.3 1 175 19 19 GLY H H 8.825 0.020 1 176 19 19 GLY HA2 H 4.171 0.020 2 177 19 19 GLY HA3 H 3.976 0.020 2 178 19 19 GLY C C 178.324 0.3 1 179 19 19 GLY CA C 42.281 0.3 1 180 19 19 GLY N N 120.670 0.3 1 181 20 20 GLY H H 8.477 0.020 1 182 20 20 GLY HA2 H 4.069 0.020 1 183 20 20 GLY HA3 H 4.069 0.020 1 184 20 20 GLY C C 174.221 0.3 1 185 20 20 GLY CA C 41.695 0.3 1 186 20 20 GLY N N 109.369 0.3 1 187 21 21 THR H H 8.059 0.020 1 188 21 21 THR HB H 4.100 0.020 1 189 21 21 THR HG1 H 5.078 0.020 1 190 21 21 THR HG2 H 1.100 0.020 1 191 21 21 THR C C 171.291 0.3 1 192 21 21 THR CA C 61.914 0.3 1 193 21 21 THR CB C 65.137 0.3 1 194 21 21 THR CG2 C 23.234 0.3 1 195 21 21 THR N N 122.199 0.3 1 196 22 22 GLY H H 6.772 0.020 1 197 22 22 GLY HA2 H 3.999 0.020 2 198 22 22 GLY HA3 H 4.178 0.020 2 199 22 22 GLY C C 184.807 0.3 1 200 22 22 GLY CA C 45.209 0.3 1 201 22 22 GLY N N 112.369 0.3 1 202 23 23 LYS H H 7.441 0.020 1 203 23 23 LYS HB2 H 1.770 0.020 2 204 23 23 LYS HB3 H 1.878 0.020 2 205 23 23 LYS HG2 H 1.917 0.020 2 206 23 23 LYS HG3 H 2.299 0.020 2 207 23 23 LYS HD2 H 1.648 0.020 2 208 23 23 LYS HD3 H 1.951 0.020 2 209 23 23 LYS HE2 H 3.017 0.020 2 210 23 23 LYS HE3 H 3.183 0.020 2 211 23 23 LYS HZ H 7.472 0.020 1 212 23 23 LYS C C 178.589 0.3 1 213 23 23 LYS CA C 58.101 0.3 1 214 23 23 LYS CB C 40.230 0.3 1 215 23 23 LYS CD C 29.683 0.3 1 216 23 23 LYS CE C 47.554 0.3 1 217 23 23 LYS N N 122.066 0.3 1 218 23 23 LYS NZ N 53.295 0.3 1 219 24 24 THR H H 8.469 0.020 1 220 24 24 THR HG1 H 5.907 0.020 1 221 24 24 THR HG2 H 1.210 0.020 1 222 24 24 THR C C 178.324 0.3 1 223 24 24 THR CA C 62.192 0.3 1 224 24 24 THR CB C 71.562 0.3 1 225 24 24 THR CG2 C 21.476 0.3 1 226 24 24 THR N N 114.627 0.3 1 227 25 25 THR H H 8.415 0.020 1 228 25 25 THR HG1 H 5.389 0.020 1 229 25 25 THR HG2 H 1.235 0.020 1 230 25 25 THR C C 178.324 0.3 1 231 25 25 THR CA C 64.534 0.3 1 232 25 25 THR CB C 71.562 0.3 1 233 25 25 THR CG2 C 21.769 0.3 1 234 25 25 THR N N 110.377 0.3 1 235 26 26 PHE H H 7.707 0.020 1 236 26 26 PHE HB2 H 2.999 0.020 2 237 26 26 PHE HB3 H 3.045 0.020 2 238 26 26 PHE HD1 H 7.022 0.020 3 239 26 26 PHE HD2 H 7.042 0.020 3 240 26 26 PHE HE1 H 7.110 0.020 3 241 26 26 PHE HE2 H 7.140 0.020 3 242 26 26 PHE HZ H 6.993 0.020 1 243 26 26 PHE C C 174.514 0.3 1 244 26 26 PHE CA C 53.407 0.3 1 245 26 26 PHE CB C 40.524 0.3 1 246 26 26 PHE CD1 C 132.025 0.3 1 247 26 26 PHE CD2 C 132.611 0.3 1 248 26 26 PHE CE1 C 130.560 0.3 1 249 26 26 PHE CE2 C 131.439 0.3 1 250 26 26 PHE CZ C 129.974 0.3 1 251 26 26 PHE N N 114.295 0.3 1 252 27 27 VAL H H 6.967 0.020 1 253 27 27 VAL HG1 H 0.742 0.020 2 254 27 27 VAL HG2 H 0.836 0.020 2 255 27 27 VAL C C 178.031 0.3 1 256 27 27 VAL CA C 67.462 0.3 1 257 27 27 VAL CB C 29.397 0.3 1 258 27 27 VAL CG1 C 20.304 0.3 1 259 27 27 VAL CG2 C 20.890 0.3 1 260 27 27 VAL N N 123.525 0.3 1 261 28 28 LYS H H 7.429 0.020 1 262 28 28 LYS HB2 H 1.767 0.020 2 263 28 28 LYS HB3 H 1.798 0.020 2 264 28 28 LYS HG2 H 1.203 0.020 2 265 28 28 LYS HG3 H 1.227 0.020 2 266 28 28 LYS HD2 H 1.547 0.020 2 267 28 28 LYS HD3 H 1.563 0.020 2 268 28 28 LYS HE2 H 3.030 0.020 2 269 28 28 LYS HE3 H 3.077 0.020 2 270 28 28 LYS HZ H 7.501 0.020 1 271 28 28 LYS C C 176.566 0.3 1 272 28 28 LYS CA C 58.092 0.3 1 273 28 28 LYS CB C 34.082 0.3 1 274 28 28 LYS N N 114.228 0.3 1 275 28 28 LYS NZ N 59.203 0.3 1 276 29 29 ARG H H 6.803 0.020 1 277 29 29 ARG HB2 H 1.679 0.020 2 278 29 29 ARG HB3 H 1.713 0.020 2 279 29 29 ARG HG2 H 1.421 0.020 2 280 29 29 ARG HG3 H 1.538 0.020 2 281 29 29 ARG HD2 H 3.045 0.020 2 282 29 29 ARG HD3 H 3.111 0.020 2 283 29 29 ARG HE H 7.472 0.020 1 284 29 29 ARG HH11 H 6.768 0.020 1 285 29 29 ARG HH12 H 6.915 0.020 1 286 29 29 ARG HH21 H 6.690 0.020 1 287 29 29 ARG HH22 H 6.621 0.020 1 288 29 29 ARG C C 174.221 0.3 1 289 29 29 ARG CA C 72.147 0.3 1 290 29 29 ARG CB C 37.596 0.3 1 291 29 29 ARG CZ C 161.621 0.3 1 292 29 29 ARG N N 112.037 0.3 1 293 29 29 ARG NE N 93.291 0.3 1 294 29 29 ARG NH1 N 79.302 0.3 1 295 29 29 ARG NH2 N 79.392 0.3 1 296 30 30 HIS H H 7.644 0.020 1 297 30 30 HIS HB2 H 3.178 0.020 2 298 30 30 HIS HB3 H 3.296 0.020 2 299 30 30 HIS HD1 H 10.269 0.020 1 300 30 30 HIS HD2 H 7.228 0.020 1 301 30 30 HIS HE1 H 7.814 0.020 1 302 30 30 HIS HE2 H 11.376 0.020 1 303 30 30 HIS C C 172.170 0.3 1 304 30 30 HIS CA C 51.651 0.3 1 305 30 30 HIS CB C 30.568 0.3 1 306 30 30 HIS CD2 C 117.374 0.3 1 307 30 30 HIS CE1 C 139.351 0.3 1 308 30 30 HIS N N 122.396 0.3 1 309 30 30 HIS ND1 N 194.294 0.3 1 310 30 30 HIS NE2 N 177.332 0.3 1 311 31 31 LEU H H 7.894 0.020 1 312 31 31 LEU HB2 H 1.382 0.020 2 313 31 31 LEU HB3 H 1.562 0.020 2 314 31 31 LEU HD1 H 0.815 0.020 2 315 31 31 LEU HD2 H 0.971 0.020 2 316 31 31 LEU C C 178.031 0.3 1 317 31 31 LEU CA C 55.164 0.3 1 318 31 31 LEU CB C 42.281 0.3 1 319 31 31 LEU CD1 C 22.062 0.3 1 320 31 31 LEU CD2 C 22.941 0.3 1 321 31 31 LEU N N 110.377 0.3 1 322 32 32 THR H H 8.372 0.020 1 323 32 32 THR HB H 4.836 0.020 1 324 32 32 THR HG1 H 6.408 0.020 1 325 32 32 THR HG2 H 2.104 0.020 1 326 32 32 THR C C 170.705 0.3 1 327 32 32 THR CA C 63.668 0.3 1 328 32 32 THR CB C 75.679 0.3 1 329 32 32 THR CG2 C 29.976 0.3 1 330 32 32 THR N N 121.468 0.3 1 331 33 33 GLY H H 9.662 0.020 1 332 33 33 GLY HA2 H 3.991 0.020 2 333 33 33 GLY HA3 H 4.171 0.020 2 334 33 33 GLY C C 161.914 0.3 1 335 33 33 GLY CA C 42.866 0.3 1 336 33 33 GLY N N 107.841 0.3 1 337 34 34 GLU H H 8.211 0.020 1 338 34 34 GLU HB2 H 2.487 0.020 2 339 34 34 GLU HB3 H 2.585 0.020 2 340 34 34 GLU HG2 H 2.653 0.020 2 341 34 34 GLU HG3 H 2.829 0.020 2 342 34 34 GLU C C 174.508 0.3 1 343 34 34 GLU CA C 58.101 0.3 1 344 34 34 GLU CB C 34.371 0.3 1 345 34 34 GLU CD C 178.617 0.3 1 346 34 34 GLU N N 120.871 0.3 1 347 35 35 PHE H H 6.772 0.020 1 348 35 35 PHE HB2 H 2.993 0.020 2 349 35 35 PHE HB3 H 3.095 0.020 2 350 35 35 PHE HD1 H 7.022 0.020 3 351 35 35 PHE HD2 H 7.061 0.020 3 352 35 35 PHE HE1 H 7.081 0.020 3 353 35 35 PHE HE2 H 7.100 0.020 3 354 35 35 PHE HZ H 6.924 0.020 1 355 35 35 PHE C C 174.221 0.3 1 356 35 35 PHE CA C 49.308 0.3 1 357 35 35 PHE CB C 41.695 0.3 1 358 35 35 PHE CD1 C 132.611 0.3 1 359 35 35 PHE CD2 C 133.783 0.3 1 360 35 35 PHE CE1 C 130.853 0.3 1 361 35 35 PHE CE2 C 131.732 0.3 1 362 35 35 PHE CZ C 129.681 0.3 1 363 35 35 PHE N N 111.838 0.3 1 364 36 36 GLU H H 8.293 0.020 1 365 36 36 GLU HB2 H 2.308 0.020 2 366 36 36 GLU HB3 H 2.472 0.020 2 367 36 36 GLU HG2 H 2.558 0.020 2 368 36 36 GLU HG3 H 2.832 0.020 2 369 36 36 GLU C C 175.686 0.3 1 370 36 36 GLU CA C 58.980 0.3 1 371 36 36 GLU CB C 48.140 0.3 1 372 36 36 GLU CD C 190.449 0.3 1 373 36 36 GLU N N 120.672 0.3 1 374 37 37 LYS H H 8.509 0.020 1 375 37 37 LYS HB2 H 1.801 0.020 2 376 37 37 LYS HB3 H 1.932 0.020 2 377 37 37 LYS HG2 H 1.296 0.020 2 378 37 37 LYS HG3 H 1.374 0.020 2 379 37 37 LYS HD2 H 1.570 0.020 2 380 37 37 LYS HD3 H 1.656 0.020 2 381 37 37 LYS HE2 H 2.929 0.020 2 382 37 37 LYS HE3 H 3.036 0.020 2 383 37 37 LYS HZ H 7.247 0.020 1 384 37 37 LYS C C 172.756 0.3 1 385 37 37 LYS CA C 48.137 0.3 1 386 37 37 LYS CB C 37.010 0.3 1 387 37 37 LYS N N 118.810 0.3 1 388 37 37 LYS NZ N 53.201 0.3 1 389 38 38 LYS H H 7.715 0.020 1 390 38 38 LYS HB2 H 1.828 0.020 2 391 38 38 LYS HB3 H 1.945 0.020 2 392 38 38 LYS HG2 H 1.210 0.020 2 393 38 38 LYS HG3 H 1.405 0.020 2 394 38 38 LYS HD2 H 1.476 0.020 2 395 38 38 LYS HD3 H 1.601 0.020 2 396 38 38 LYS HE2 H 2.991 0.020 2 397 38 38 LYS HE3 H 3.124 0.020 2 398 38 38 LYS HZ H 7.364 0.020 1 399 38 38 LYS C C 176.273 0.3 1 400 38 38 LYS CA C 59.849 0.3 1 401 38 38 LYS CB C 34.668 0.3 1 402 38 38 LYS CD C 29.095 0.3 1 403 38 38 LYS CE C 41.695 0.3 1 404 38 38 LYS N N 128.052 0.3 1 405 38 38 LYS NZ N 52.396 0.3 1 406 39 39 TYR H H 7.362 0.020 1 407 39 39 TYR HB2 H 2.984 0.020 2 408 39 39 TYR HB3 H 3.117 0.020 2 409 39 39 TYR HD1 H 6.895 0.020 3 410 39 39 TYR HD2 H 6.924 0.020 3 411 39 39 TYR HE1 H 6.641 0.020 3 412 39 39 TYR HE2 H 6.670 0.020 3 413 39 39 TYR HH H 9.193 0.020 1 414 39 39 TYR C C 175.686 0.3 1 415 39 39 TYR CA C 61.020 0.3 1 416 39 39 TYR CB C 36.424 0.3 1 417 39 39 TYR CD1 C 131.146 0.3 1 418 39 39 TYR CD2 C 133.197 0.3 1 419 39 39 TYR CE1 C 117.374 0.3 1 420 39 39 TYR CE2 C 118.546 0.3 1 421 39 39 TYR CZ C 155.174 0.3 1 422 39 39 TYR N N 108.650 0.3 1 423 40 40 VAL H H 8.442 0.020 1 424 40 40 VAL HG1 H 0.813 0.020 2 425 40 40 VAL HG2 H 0.946 0.020 2 426 40 40 VAL C C 175.393 0.3 1 427 40 40 VAL CA C 61.020 0.3 1 428 40 40 VAL CB C 31.154 0.3 1 429 40 40 VAL CG1 C 20.011 0.3 1 430 40 40 VAL CG2 C 21.183 0.3 1 431 40 40 VAL N N 117.947 0.3 1 432 42 42 THR H H 8.192 0.020 1 433 42 42 THR HG1 H 5.311 0.020 1 434 42 42 THR HG2 H 1.045 0.020 1 435 42 42 THR C C 178.910 0.3 1 436 42 42 THR CA C 60.435 0.3 1 437 42 42 THR CB C 70.390 0.3 1 438 42 42 THR CG2 C 21.769 0.3 1 439 42 42 THR N N 117.150 0.3 1 440 43 43 LEU H H 9.260 0.020 1 441 43 43 LEU HB2 H 1.407 0.020 2 442 43 43 LEU HB3 H 1.727 0.020 2 443 43 43 LEU HD1 H 0.774 0.020 2 444 43 43 LEU HD2 H 0.853 0.020 2 445 43 43 LEU C C 174.807 0.3 1 446 43 43 LEU CA C 57.507 0.3 1 447 43 43 LEU CB C 42.866 0.3 1 448 43 43 LEU CD1 C 22.062 0.3 1 449 43 43 LEU CD2 C 22.941 0.3 1 450 43 43 LEU N N 119.209 0.3 1 451 44 44 GLY H H 6.979 0.020 1 452 44 44 GLY HA2 H 4.045 0.020 2 453 44 44 GLY HA3 H 4.108 0.020 2 454 44 44 GLY C C 178.910 0.3 1 455 44 44 GLY CA C 54.579 0.3 1 456 44 44 GLY N N 114.361 0.3 1 457 45 45 VAL H H 8.309 0.020 1 458 45 45 VAL HG1 H 0.876 0.020 2 459 45 45 VAL HG2 H 0.970 0.020 2 460 45 45 VAL C C 174.807 0.3 1 461 45 45 VAL CA C 63.363 0.3 1 462 45 45 VAL CB C 17.099 0.3 1 463 45 45 VAL CG1 C 20.011 0.3 1 464 45 45 VAL CG2 C 20.597 0.3 1 465 45 45 VAL N N 110.244 0.3 1 466 46 46 GLU H H 9.741 0.020 1 467 46 46 GLU HB2 H 1.920 0.020 2 468 46 46 GLU HB3 H 1.950 0.020 2 469 46 46 GLU HG2 H 2.150 0.020 2 470 46 46 GLU HG3 H 2.180 0.020 2 471 46 46 GLU C C 176.859 0.3 1 472 46 46 GLU CA C 55.164 0.3 1 473 46 46 GLU CB C 32.325 0.3 1 474 46 46 GLU N N 130.365 0.3 1 475 47 47 VAL H H 8.250 0.020 1 476 47 47 VAL HB H 1.990 0.020 1 477 47 47 VAL HG1 H 0.866 0.020 2 478 47 47 VAL HG2 H 0.963 0.020 2 479 47 47 VAL C C 175.661 0.3 1 480 47 47 VAL CA C 63.375 0.3 1 481 47 47 VAL CB C 37.300 0.3 1 482 47 47 VAL CG1 C 22.066 0.3 1 483 47 47 VAL CG2 C 23.531 0.3 1 484 47 47 VAL N N 125.254 0.3 1 485 48 48 HIS H H 10.390 0.020 1 486 48 48 HIS HB2 H 3.020 0.020 2 487 48 48 HIS HB3 H 3.092 0.020 2 488 48 48 HIS HD1 H 10.435 0.020 1 489 48 48 HIS HD2 H 7.179 0.020 1 490 48 48 HIS HE1 H 7.971 0.020 1 491 48 48 HIS HE2 H 11.298 0.020 1 492 48 48 HIS C C 169.240 0.3 1 493 48 48 HIS CA C 49.894 0.3 1 494 48 48 HIS CB C 27.640 0.3 1 495 48 48 HIS CD2 C 120.011 0.3 1 496 48 48 HIS CE1 C 139.351 0.3 1 497 48 48 HIS N N 129.236 0.3 1 498 48 48 HIS ND1 N 194.229 0.3 1 499 48 48 HIS NE2 N 178.938 0.3 1 500 49 49 PRO HB2 H 2.155 0.020 2 501 49 49 PRO HB3 H 2.335 0.020 2 502 49 49 PRO HG2 H 2.006 0.020 2 503 49 49 PRO HG3 H 2.172 0.020 2 504 49 49 PRO HD2 H 3.820 0.020 2 505 49 49 PRO HD3 H 3.836 0.020 2 506 49 49 PRO C C 176.273 0.3 1 507 49 49 PRO CA C 62.500 0.3 1 508 49 49 PRO CB C 29.974 0.3 1 509 49 49 PRO N N 123.193 0.3 1 510 50 50 LEU H H 7.492 0.020 1 511 50 50 LEU HB2 H 1.673 0.020 2 512 50 50 LEU HB3 H 1.860 0.020 2 513 50 50 LEU HD1 H 0.507 0.020 2 514 50 50 LEU HD2 H 0.820 0.020 2 515 50 50 LEU C C 177.445 0.3 1 516 50 50 LEU CA C 59.264 0.3 1 517 50 50 LEU CB C 42.281 0.3 1 518 50 50 LEU CD1 C 24.406 0.3 1 519 50 50 LEU CD2 C 24.992 0.3 1 520 50 50 LEU N N 119.408 0.3 1 521 51 51 VAL H H 7.715 0.020 1 522 51 51 VAL HG1 H 0.876 0.020 2 523 51 51 VAL HG2 H 0.907 0.020 2 524 51 51 VAL C C 174.514 0.3 1 525 51 51 VAL CA C 64.534 0.3 1 526 51 51 VAL CB C 37.010 0.3 1 527 51 51 VAL CG1 C 20.011 0.3 1 528 51 51 VAL CG2 C 20.890 0.3 1 529 51 51 VAL N N 117.947 0.3 1 530 52 52 PHE H H 8.935 0.020 1 531 52 52 PHE HB2 H 3.085 0.020 2 532 52 52 PHE HB3 H 3.147 0.020 2 533 52 52 PHE HD1 H 7.022 0.020 3 534 52 52 PHE HD2 H 7.071 0.020 3 535 52 52 PHE HE1 H 6.934 0.020 3 536 52 52 PHE HE2 H 6.954 0.020 3 537 52 52 PHE HZ H 7.100 0.020 1 538 52 52 PHE C C 175.100 0.3 1 539 52 52 PHE CA C 56.336 0.3 1 540 52 52 PHE CB C 39.938 0.3 1 541 52 52 PHE CD1 C 133.197 0.3 1 542 52 52 PHE CD2 C 132.318 0.3 1 543 52 52 PHE CE1 C 130.267 0.3 1 544 52 52 PHE CE2 C 129.095 0.3 1 545 52 52 PHE CZ C 125.871 0.3 1 546 52 52 PHE N N 124.853 0.3 1 547 53 53 HIS H H 8.356 0.020 1 548 53 53 HIS HB2 H 3.077 0.020 2 549 53 53 HIS HB3 H 3.218 0.020 2 550 53 53 HIS HD1 H 10.367 0.020 1 551 53 53 HIS HD2 H 7.384 0.020 1 552 53 53 HIS HE1 H 7.932 0.020 1 553 53 53 HIS HE2 H 11.083 0.020 1 554 53 53 HIS C C 170.119 0.3 1 555 53 53 HIS CA C 55.164 0.3 1 556 53 53 HIS CB C 30.568 0.3 1 557 53 53 HIS CD2 C 117.960 0.3 1 558 53 53 HIS CE1 C 141.695 0.3 1 559 53 53 HIS N N 120.603 0.3 1 560 53 53 HIS ND1 N 197.322 0.3 1 561 53 53 HIS NE2 N 177.382 0.3 1 562 54 54 THR H H 7.574 0.020 1 563 54 54 THR HG1 H 5.594 0.020 1 564 54 54 THR HG2 H 1.147 0.020 1 565 54 54 THR C C 178.910 0.3 1 566 54 54 THR CA C 63.363 0.3 1 567 54 54 THR CB C 72.733 0.3 1 568 54 54 THR CG2 C 21.769 0.3 1 569 54 54 THR N N 112.634 0.3 1 570 55 55 ASN H H 10.187 0.020 1 571 55 55 ASN HB2 H 2.860 0.020 2 572 55 55 ASN HB3 H 2.820 0.020 2 573 55 55 ASN HD21 H 7.413 0.020 1 574 55 55 ASN HD22 H 7.179 0.020 1 575 55 55 ASN C C 176.273 0.3 1 576 55 55 ASN CA C 51.065 0.3 1 577 55 55 ASN CB C 37.010 0.3 1 578 55 55 ASN N N 131.095 0.3 1 579 55 55 ASN ND2 N 114.203 0.3 1 580 56 56 ARG H H 7.433 0.020 1 581 56 56 ARG HB2 H 1.461 0.020 2 582 56 56 ARG HB3 H 1.992 0.020 2 583 56 56 ARG HG2 H 1.343 0.020 2 584 56 56 ARG HG3 H 1.366 0.020 2 585 56 56 ARG HD2 H 3.069 0.020 2 586 56 56 ARG HD3 H 3.186 0.020 2 587 56 56 ARG HH11 H 6.885 0.020 1 588 56 56 ARG HH12 H 6.983 0.020 1 589 56 56 ARG HH21 H 6.797 0.020 1 590 56 56 ARG HH22 H 6.758 0.020 1 591 56 56 ARG C C 175.100 0.3 1 592 56 56 ARG CA C 61.606 0.3 1 593 56 56 ARG CB C 32.911 0.3 1 594 56 56 ARG CZ C 161.914 0.3 1 595 56 56 ARG N N 122.064 0.3 1 596 56 56 ARG NE N 90.393 0.3 1 597 56 56 ARG NH1 N 81.229 0.3 1 598 56 56 ARG NH2 N 81.938 0.3 1 599 57 57 GLY H H 9.373 0.020 1 600 57 57 GLY HA2 H 3.991 0.020 2 601 57 57 GLY HA3 H 4.014 0.020 2 602 57 57 GLY C C 175.979 0.3 1 603 57 57 GLY CA C 42.281 0.3 1 604 57 57 GLY N N 107.709 0.3 1 605 58 58 PRO HB2 H 2.185 0.020 2 606 58 58 PRO HB3 H 2.228 0.020 2 607 58 58 PRO HG2 H 1.868 0.020 2 608 58 58 PRO HG3 H 1.946 0.020 2 609 58 58 PRO HD2 H 3.577 0.020 2 610 58 58 PRO HD3 H 3.632 0.020 2 611 58 58 PRO C C 177.152 0.3 1 612 58 58 PRO CA C 65.137 0.3 1 613 58 58 PRO CB C 29.095 0.3 1 614 58 58 PRO N N 114.560 0.3 1 615 59 59 ILE H H 8.794 0.020 1 616 59 59 ILE HG12 H 1.422 0.020 2 617 59 59 ILE HG13 H 1.193 0.020 2 618 59 59 ILE HG2 H 0.820 0.020 1 619 59 59 ILE HD1 H 0.752 0.020 1 620 59 59 ILE C C 175.979 0.3 1 621 59 59 ILE CA C 65.120 0.3 1 622 59 59 ILE CB C 40.524 0.3 1 623 59 59 ILE CG1 C 28.802 0.3 1 624 59 59 ILE CG2 C 18.253 0.3 1 625 59 59 ILE CD1 C 13.564 0.3 1 626 59 59 ILE N N 128.638 0.3 1 627 60 60 LYS H H 8.024 0.020 1 628 60 60 LYS HB2 H 1.682 0.020 2 629 60 60 LYS HB3 H 1.731 0.020 2 630 60 60 LYS HG2 H 1.604 0.020 2 631 60 60 LYS HG3 H 1.301 0.020 2 632 60 60 LYS HD2 H 0.848 0.020 2 633 60 60 LYS HD3 H 0.683 0.020 2 634 60 60 LYS HE2 H 2.915 0.020 2 635 60 60 LYS HE3 H 2.995 0.020 2 636 60 60 LYS HZ H 7.971 0.020 1 637 60 60 LYS C C 178.902 0.3 1 638 60 60 LYS CA C 74.293 0.3 1 639 60 60 LYS CB C 32.027 0.3 1 640 60 60 LYS CD C 27.632 0.3 1 641 60 60 LYS CE C 43.160 0.3 1 642 60 60 LYS N N 127.711 0.3 1 643 60 60 LYS NZ N 49.993 0.3 1 644 61 61 PHE H H 7.515 0.020 1 645 61 61 PHE HB2 H 3.092 0.020 2 646 61 61 PHE HB3 H 3.186 0.020 2 647 61 61 PHE HD1 H 7.003 0.020 3 648 61 61 PHE HD2 H 7.032 0.020 3 649 61 61 PHE HE1 H 7.051 0.020 3 650 61 61 PHE HE2 H 7.081 0.020 3 651 61 61 PHE HZ H 6.954 0.020 1 652 61 61 PHE C C 175.393 0.3 1 653 61 61 PHE CA C 57.507 0.3 1 654 61 61 PHE CB C 41.109 0.3 1 655 61 61 PHE CD1 C 131.146 0.3 1 656 61 61 PHE CD2 C 131.732 0.3 1 657 61 61 PHE CE1 C 129.974 0.3 1 658 61 61 PHE CE2 C 130.560 0.3 1 659 61 61 PHE CZ C 128.802 0.3 1 660 61 61 PHE N N 120.670 0.3 1 661 62 62 ASN H H 8.325 0.020 1 662 62 62 ASN HB2 H 2.924 0.020 2 663 62 62 ASN HB3 H 2.862 0.020 2 664 62 62 ASN HD21 H 7.300 0.020 1 665 62 62 ASN HD22 H 7.370 0.020 1 666 62 62 ASN C C 173.336 0.3 1 667 62 62 ASN CA C 53.121 0.3 1 668 62 62 ASN CB C 41.695 0.3 1 669 62 62 ASN N N 124.789 0.3 1 670 62 62 ASN ND2 N 98.293 0.3 1 671 63 63 VAL H H 8.113 0.020 1 672 63 63 VAL HB H 2.053 0.020 1 673 63 63 VAL HG1 H 0.876 0.020 2 674 63 63 VAL HG2 H 0.946 0.020 2 675 63 63 VAL C C 175.100 0.3 1 676 63 63 VAL CA C 61.020 0.3 1 677 63 63 VAL CB C 31.154 0.3 1 678 63 63 VAL CG1 C 21.476 0.3 1 679 63 63 VAL CG2 C 22.355 0.3 1 680 63 63 VAL N N 124.127 0.3 1 681 64 64 TRP H H 8.970 0.020 1 682 64 64 TRP HB2 H 3.130 0.020 2 683 64 64 TRP HB3 H 3.110 0.020 2 684 64 64 TRP HD1 H 7.130 0.020 1 685 64 64 TRP HE1 H 10.093 0.020 1 686 64 64 TRP HE3 H 7.286 0.020 1 687 64 64 TRP HZ2 H 7.355 0.020 1 688 64 64 TRP HZ3 H 6.836 0.020 1 689 64 64 TRP HH2 H 6.963 0.020 1 690 64 64 TRP C C 177.152 0.3 1 691 64 64 TRP CA C 59.264 0.3 1 692 64 64 TRP CB C 29.397 0.3 1 693 64 64 TRP CD1 C 126.164 0.3 1 694 64 64 TRP CD2 C 128.509 0.3 1 695 64 64 TRP CE2 C 139.058 0.3 1 696 64 64 TRP CE3 C 120.597 0.3 1 697 64 64 TRP CZ2 C 114.443 0.3 1 698 64 64 TRP CZ3 C 121.476 0.3 1 699 64 64 TRP CH2 C 124.406 0.3 1 700 64 64 TRP N N 129.302 0.3 1 701 64 64 TRP NE1 N 133.865 0.3 1 702 65 65 ASP H H 8.638 0.020 1 703 65 65 ASP HB2 H 2.618 0.020 2 704 65 65 ASP HB3 H 2.767 0.020 2 705 65 65 ASP C C 174.514 0.3 1 706 65 65 ASP CA C 55.164 0.3 1 707 65 65 ASP CB C 41.109 0.3 1 708 65 65 ASP N N 119.607 0.3 1 709 66 66 THR H H 8.293 0.020 1 710 66 66 THR HG1 H 6.015 0.020 1 711 66 66 THR HG2 H 1.121 0.020 1 712 66 66 THR C C 178.617 0.3 1 713 66 66 THR CA C 68.048 0.3 1 714 66 66 THR CB C 71.562 0.3 1 715 66 66 THR N N 122.463 0.3 1 716 67 67 ALA H H 8.657 0.020 1 717 67 67 ALA HB H 1.186 0.020 1 718 67 67 ALA C C 177.738 0.3 1 719 67 67 ALA CA C 48.722 0.3 1 720 67 67 ALA CB C 14.171 0.3 1 721 67 67 ALA N N 124.865 0.3 1 722 68 68 GLY H H 10.969 0.020 1 723 68 68 GLY HA2 H 4.085 0.020 2 724 68 68 GLY HA3 H 3.804 0.020 2 725 68 68 GLY C C 189.533 0.3 1 726 68 68 GLY CA C 45.209 0.3 1 727 68 68 GLY N N 115.357 0.3 1 728 69 69 GLN H H 8.336 0.020 1 729 69 69 GLN HB2 H 2.003 0.020 2 730 69 69 GLN HB3 H 2.160 0.020 2 731 69 69 GLN HG2 H 2.434 0.020 2 732 69 69 GLN HG3 H 2.630 0.020 2 733 69 69 GLN HE21 H 7.394 0.020 1 734 69 69 GLN HE22 H 7.140 0.020 1 735 69 69 GLN C C 174.508 0.3 1 736 69 69 GLN CA C 58.394 0.3 1 737 69 69 GLN CB C 31.441 0.3 1 738 69 69 GLN CD C 178.902 0.3 1 739 69 69 GLN N N 122.730 0.3 1 740 69 69 GLN NE2 N 114.294 0.3 1 741 70 70 GLU H H 9.651 0.020 1 742 70 70 GLU HB2 H 1.961 0.020 2 743 70 70 GLU HB3 H 1.992 0.020 2 744 70 70 GLU HG2 H 2.151 0.020 2 745 70 70 GLU HG3 H 2.274 0.020 2 746 70 70 GLU C C 176.273 0.3 1 747 70 70 GLU CA C 57.507 0.3 1 748 70 70 GLU CB C 28.811 0.3 1 749 70 70 GLU N N 114.826 0.3 1 750 71 71 LYS H H 8.712 0.020 1 751 71 71 LYS HB2 H 1.877 0.020 2 752 71 71 LYS HB3 H 1.901 0.020 2 753 71 71 LYS HG2 H 1.343 0.020 2 754 71 71 LYS HG3 H 1.382 0.020 2 755 71 71 LYS HD2 H 1.687 0.020 2 756 71 71 LYS HD3 H 1.735 0.020 2 757 71 71 LYS HE2 H 2.759 0.020 2 758 71 71 LYS HE3 H 2.954 0.020 2 759 71 71 LYS HZ H 7.511 0.020 1 760 71 71 LYS C C 175.979 0.3 1 761 71 71 LYS CA C 48.722 0.3 1 762 71 71 LYS CB C 37.010 0.3 1 763 71 71 LYS N N 116.685 0.3 1 764 71 71 LYS NZ N 49.002 0.3 1 765 72 72 PHE H H 7.965 0.020 1 766 72 72 PHE HB2 H 3.116 0.020 2 767 72 72 PHE HB3 H 3.171 0.020 2 768 72 72 PHE HD1 H 7.061 0.020 3 769 72 72 PHE HD2 H 7.042 0.020 3 770 72 72 PHE HE1 H 7.110 0.020 3 771 72 72 PHE HE2 H 7.081 0.020 3 772 72 72 PHE HZ H 6.993 0.020 1 773 72 72 PHE C C 175.686 0.3 1 774 72 72 PHE CA C 56.336 0.3 1 775 72 72 PHE CB C 36.424 0.3 1 776 72 72 PHE CD1 C 131.439 0.3 1 777 72 72 PHE CD2 C 130.560 0.3 1 778 72 72 PHE CE1 C 134.369 0.3 1 779 72 72 PHE CE2 C 132.611 0.3 1 780 72 72 PHE CZ C 129.974 0.3 1 781 72 72 PHE N N 114.959 0.3 1 782 73 73 GLY H H 7.609 0.020 1 783 73 73 GLY HA2 H 3.830 0.020 2 784 73 73 GLY HA3 H 4.030 0.020 2 785 73 73 GLY C C 168.068 0.3 1 786 73 73 GLY CA C 42.281 0.3 1 787 73 73 GLY N N 117.084 0.3 1 788 74 74 GLY H H 9.326 0.020 1 789 74 74 GLY HA2 H 4.014 0.020 2 790 74 74 GLY HA3 H 4.186 0.020 2 791 74 74 GLY C C 174.514 0.3 1 792 74 74 GLY CA C 44.037 0.3 1 793 74 74 GLY N N 120.537 0.3 1 794 75 75 LEU H H 7.628 0.020 1 795 75 75 LEU HB2 H 1.311 0.020 2 796 75 75 LEU HB3 H 1.413 0.020 2 797 75 75 LEU HD1 H 0.853 0.020 2 798 75 75 LEU HD2 H 0.993 0.020 2 799 75 75 LEU C C 178.617 0.3 1 800 75 75 LEU CA C 53.407 0.3 1 801 75 75 LEU CB C 42.281 0.3 1 802 75 75 LEU CD1 C 24.113 0.3 1 803 75 75 LEU CD2 C 24.699 0.3 1 804 75 75 LEU N N 127.177 0.3 1 805 76 76 ARG H H 7.143 0.020 1 806 76 76 ARG HB2 H 1.789 0.020 2 807 76 76 ARG HB3 H 1.969 0.020 2 808 76 76 ARG HG2 H 1.563 0.020 2 809 76 76 ARG HG3 H 1.634 0.020 2 810 76 76 ARG HD2 H 3.008 0.020 2 811 76 76 ARG HD3 H 3.078 0.020 2 812 76 76 ARG HE H 7.511 0.020 1 813 76 76 ARG HH11 H 6.875 0.020 1 814 76 76 ARG HH12 H 6.905 0.020 1 815 76 76 ARG HH21 H 6.778 0.020 1 816 76 76 ARG HH22 H 6.748 0.020 1 817 76 76 ARG C C 176.859 0.3 1 818 76 76 ARG CA C 59.264 0.3 1 819 76 76 ARG CB C 31.154 0.3 1 820 76 76 ARG CZ C 159.570 0.3 1 821 76 76 ARG N N 116.486 0.3 1 822 76 76 ARG NE N 93.293 0.3 1 823 76 76 ARG NH1 N 79.394 0.3 1 824 76 76 ARG NH2 N 81.395 0.3 1 825 77 77 ASP H H 8.947 0.020 1 826 77 77 ASP HB2 H 2.585 0.020 2 827 77 77 ASP HB3 H 2.953 0.020 2 828 77 77 ASP C C 177.152 0.3 1 829 77 77 ASP CA C 52.822 0.3 1 830 77 77 ASP CB C 41.695 0.3 1 831 77 77 ASP N N 129.236 0.3 1 832 78 78 GLY H H 8.219 0.020 1 833 78 78 GLY HA2 H 4.100 0.020 2 834 78 78 GLY HA3 H 4.155 0.020 2 835 78 78 GLY C C 173.928 0.3 1 836 78 78 GLY CA C 44.623 0.3 1 837 78 78 GLY N N 107.244 0.3 1 838 79 79 TYR H H 8.563 0.020 1 839 79 79 TYR HB2 H 2.953 0.020 2 840 79 79 TYR HB3 H 3.133 0.020 2 841 79 79 TYR HD1 H 6.944 0.020 3 842 79 79 TYR HD2 H 6.963 0.020 3 843 79 79 TYR HE1 H 6.709 0.020 3 844 79 79 TYR HE2 H 6.729 0.020 3 845 79 79 TYR HH H 9.203 0.020 1 846 79 79 TYR C C 176.273 0.3 1 847 79 79 TYR CA C 58.678 0.3 1 848 79 79 TYR CB C 40.524 0.3 1 849 79 79 TYR CD1 C 132.611 0.3 1 850 79 79 TYR CD2 C 133.197 0.3 1 851 79 79 TYR CE1 C 116.494 0.3 1 852 79 79 TYR CE2 C 117.960 0.3 1 853 79 79 TYR CZ C 154.881 0.3 1 854 79 79 TYR N N 120.537 0.3 1 855 80 80 TYR H H 8.254 0.020 1 856 80 80 TYR HB2 H 2.953 0.020 2 857 80 80 TYR HB3 H 2.984 0.020 2 858 80 80 TYR HD1 H 6.880 0.020 3 859 80 80 TYR HD2 H 6.958 0.020 3 860 80 80 TYR HE1 H 6.752 0.020 3 861 80 80 TYR HE2 H 6.408 0.020 3 862 80 80 TYR HH H 11.462 0.020 1 863 80 80 TYR C C 175.979 0.3 1 864 80 80 TYR CA C 62.203 0.3 1 865 80 80 TYR CB C 41.988 0.3 1 866 80 80 TYR CD1 C 136.715 0.3 1 867 80 80 TYR CD2 C 137.886 0.3 1 868 80 80 TYR CE1 C 118.257 0.3 1 869 80 80 TYR CE2 C 119.136 0.3 1 870 80 80 TYR CZ C 156.343 0.3 1 871 80 80 TYR N N 122.132 0.3 1 872 81 81 ILE H H 8.837 0.020 1 873 81 81 ILE HG12 H 1.321 0.020 2 874 81 81 ILE HG13 H 1.321 0.020 2 875 81 81 ILE HG2 H 0.976 0.020 1 876 81 81 ILE HD1 H 0.656 0.020 1 877 81 81 ILE C C 177.445 0.3 1 878 81 81 ILE CA C 67.462 0.3 1 879 81 81 ILE CB C 41.109 0.3 1 880 81 81 ILE CG1 C 27.044 0.3 1 881 81 81 ILE CG2 C 16.201 0.3 1 882 81 81 ILE CD1 C 12.978 0.3 1 883 81 81 ILE N N 120.072 0.3 1 884 82 82 GLN H H 8.184 0.020 1 885 82 82 GLN HB2 H 2.438 0.020 2 886 82 82 GLN HB3 H 2.565 0.020 2 887 82 82 GLN HG2 H 2.502 0.020 2 888 82 82 GLN HG3 H 2.658 0.020 2 889 82 82 GLN HE21 H 7.597 0.020 1 890 82 82 GLN HE22 H 7.104 0.020 1 891 82 82 GLN C C 173.342 0.3 1 892 82 82 GLN CA C 59.859 0.3 1 893 82 82 GLN CB C 30.855 0.3 1 894 82 82 GLN CD C 170.406 0.3 1 895 82 82 GLN N N 121.601 0.3 1 896 82 82 GLN NE2 N 132.382 0.3 1 897 83 83 ALA H H 6.306 0.020 1 898 83 83 ALA HB H 1.163 0.020 1 899 83 83 ALA C C 175.979 0.3 1 900 83 83 ALA CA C 54.579 0.3 1 901 83 83 ALA CB C 16.513 0.3 1 902 83 83 ALA N N 119.713 0.3 1 903 84 84 GLN H H 8.180 0.020 1 904 84 84 GLN HB2 H 4.014 0.020 2 905 84 84 GLN HB3 H 6.963 0.020 2 906 84 84 GLN HG2 H 3.660 0.020 2 907 84 84 GLN HG3 H 3.941 0.020 2 908 84 84 GLN HE21 H 8.309 0.020 1 909 84 84 GLN HE22 H 8.481 0.020 1 910 84 84 GLN C C 177.144 0.3 1 911 84 84 GLN CA C 60.152 0.3 1 912 84 84 GLN CB C 34.957 0.3 1 913 84 84 GLN CD C 174.508 0.3 1 914 84 84 GLN N N 121.203 0.3 1 915 84 84 GLN NE2 N 128.393 0.3 1 916 85 85 CYS H H 8.364 0.020 1 917 85 85 CYS HB2 H 7.308 0.020 2 918 85 85 CYS HB3 H 7.558 0.020 2 919 85 85 CYS C C 176.566 0.3 1 920 85 85 CYS CA C 65.430 0.3 1 921 85 85 CYS CB C 39.644 0.3 1 922 85 85 CYS N N 120.605 0.3 1 923 86 86 ALA H H 6.897 0.020 1 924 86 86 ALA CA C 57.507 0.3 1 925 86 86 ALA CB C 21.784 0.3 1 926 86 86 ALA N N 114.295 0.3 1 927 87 87 ILE H H 8.282 0.020 1 928 87 87 ILE HG12 H 1.262 0.020 2 929 87 87 ILE HG13 H 1.164 0.020 2 930 87 87 ILE HG2 H 0.970 0.020 1 931 87 87 ILE HD1 H 0.806 0.020 1 932 87 87 ILE C C 173.928 0.3 1 933 87 87 ILE CA C 61.020 0.3 1 934 87 87 ILE CB C 39.938 0.3 1 935 87 87 ILE CG1 C 25.871 0.3 1 936 87 87 ILE CG2 C 17.374 0.3 1 937 87 87 ILE CD1 C 12.099 0.3 1 938 87 87 ILE N N 120.670 0.3 1 939 88 88 ILE H H 5.528 0.020 1 940 88 88 ILE HG12 H 1.327 0.020 2 941 88 88 ILE HG13 H 1.327 0.020 2 942 88 88 ILE HG2 H 0.976 0.020 1 943 88 88 ILE HD1 H 0.703 0.020 1 944 88 88 ILE C C 173.635 0.3 1 945 88 88 ILE CA C 64.534 0.3 1 946 88 88 ILE CB C 37.596 0.3 1 947 88 88 ILE CG1 C 27.337 0.3 1 948 88 88 ILE CG2 C 17.081 0.3 1 949 88 88 ILE CD1 C 12.099 0.3 1 950 88 88 ILE N N 120.205 0.3 1 951 89 89 MET H H 8.176 0.020 1 952 89 89 MET HB2 H 2.487 0.020 2 953 89 89 MET HB3 H 2.585 0.020 2 954 89 89 MET HG2 H 2.653 0.020 2 955 89 89 MET HG3 H 2.829 0.020 2 956 89 89 MET HE H 2.946 0.020 1 957 89 89 MET C C 178.617 0.3 1 958 89 89 MET CA C 58.980 0.3 1 959 89 89 MET CB C 34.957 0.3 1 960 89 89 MET CE C 27.925 0.3 1 961 89 89 MET N N 120.472 0.3 1 962 90 90 PHE H H 9.334 0.020 1 963 90 90 PHE HB2 H 3.069 0.020 2 964 90 90 PHE HB3 H 3.186 0.020 2 965 90 90 PHE HD1 H 6.983 0.020 3 966 90 90 PHE HD2 H 6.973 0.020 3 967 90 90 PHE HE1 H 7.081 0.020 3 968 90 90 PHE HE2 H 7.032 0.020 3 969 90 90 PHE HZ H 6.885 0.020 1 970 90 90 PHE C C 175.393 0.3 1 971 90 90 PHE CA C 60.435 0.3 1 972 90 90 PHE CB C 38.767 0.3 1 973 90 90 PHE CD1 C 132.318 0.3 1 974 90 90 PHE CD2 C 130.267 0.3 1 975 90 90 PHE CE1 C 129.388 0.3 1 976 90 90 PHE CE2 C 128.216 0.3 1 977 90 90 PHE CZ C 127.337 0.3 1 978 90 90 PHE N N 121.134 0.3 1 979 91 91 ASP H H 7.597 0.020 1 980 91 91 ASP HB2 H 2.293 0.020 2 981 91 91 ASP HB3 H 2.434 0.020 2 982 91 91 ASP C C 177.730 0.3 1 983 91 91 ASP CA C 59.859 0.3 1 984 91 91 ASP CB C 44.039 0.3 1 985 91 91 ASP N N 120.273 0.3 1 986 92 92 VAL H H 7.738 0.020 1 987 92 92 VAL HG1 H 0.774 0.020 2 988 92 92 VAL HG2 H 0.970 0.020 2 989 92 92 VAL C C 173.342 0.3 1 990 92 92 VAL CA C 64.534 0.3 1 991 92 92 VAL CB C 37.596 0.3 1 992 92 92 VAL CG1 C 20.597 0.3 1 993 92 92 VAL CG2 C 21.476 0.3 1 994 92 92 VAL N N 115.158 0.3 1 995 93 93 THR H H 7.636 0.020 1 996 93 93 THR HB H 4.178 0.020 1 997 93 93 THR HG1 H 5.563 0.020 1 998 93 93 THR HG2 H 1.278 0.020 1 999 93 93 THR C C 178.902 0.3 1 1000 93 93 THR CA C 64.254 0.3 1 1001 93 93 THR CB C 74.215 0.3 1 1002 93 93 THR CG2 C 25.582 0.3 1 1003 93 93 THR N N 127.179 0.3 1 1004 94 94 SER H H 7.628 0.020 1 1005 94 94 SER HB2 H 3.624 0.020 2 1006 94 94 SER HB3 H 3.922 0.020 2 1007 94 94 SER C C 163.965 0.3 1 1008 94 94 SER CA C 59.849 0.3 1 1009 94 94 SER CB C 62.192 0.3 1 1010 94 94 SER N N 122.263 0.3 1 1011 95 95 ARG H H 8.102 0.020 1 1012 95 95 ARG HB2 H 2.673 0.020 2 1013 95 95 ARG HB3 H 2.774 0.020 2 1014 95 95 ARG HE H 7.501 0.020 1 1015 95 95 ARG HH11 H 6.827 0.020 1 1016 95 95 ARG HH12 H 6.934 0.020 1 1017 95 95 ARG HH21 H 6.748 0.020 1 1018 95 95 ARG HH22 H 6.719 0.020 1 1019 95 95 ARG C C 176.273 0.3 1 1020 95 95 ARG CA C 53.407 0.3 1 1021 95 95 ARG CB C 31.154 0.3 1 1022 95 95 ARG CZ C 158.984 0.3 1 1023 95 95 ARG N N 113.099 0.3 1 1024 95 95 ARG NE N 90.496 0.3 1 1025 95 95 ARG NH1 N 77.294 0.3 1 1026 95 95 ARG NH2 N 77.483 0.3 1 1027 96 96 VAL H H 9.146 0.020 1 1028 96 96 VAL HG1 H 0.991 0.020 2 1029 96 96 VAL HG2 H 0.868 0.020 2 1030 96 96 VAL C C 178.031 0.3 1 1031 96 96 VAL CA C 68.634 0.3 1 1032 96 96 VAL CB C 24.126 0.3 1 1033 96 96 VAL CG1 C 20.304 0.3 1 1034 96 96 VAL CG2 C 21.183 0.3 1 1035 96 96 VAL N N 124.787 0.3 1 1036 97 97 THR H H 7.984 0.020 1 1037 97 97 THR HG1 H 5.477 0.020 1 1038 97 97 THR HG2 H 1.249 0.020 1 1039 97 97 THR C C 178.031 0.3 1 1040 97 97 THR CA C 63.949 0.3 1 1041 97 97 THR CB C 70.390 0.3 1 1042 97 97 THR CG2 C 21.183 0.3 1 1043 97 97 THR N N 111.970 0.3 1 1044 98 98 TYR H H 7.605 0.020 1 1045 98 98 TYR HB2 H 2.853 0.020 2 1046 98 98 TYR HB3 H 2.978 0.020 2 1047 98 98 TYR HD1 H 6.885 0.020 3 1048 98 98 TYR HD2 H 6.905 0.020 3 1049 98 98 TYR HE1 H 6.690 0.020 3 1050 98 98 TYR HE2 H 6.709 0.020 3 1051 98 98 TYR HH H 9.193 0.020 1 1052 98 98 TYR C C 176.273 0.3 1 1053 98 98 TYR CD1 C 131.146 0.3 1 1054 98 98 TYR CD2 C 132.025 0.3 1 1055 98 98 TYR CE1 C 117.081 0.3 1 1056 98 98 TYR CE2 C 117.667 0.3 1 1057 98 98 TYR CZ C 154.295 0.3 1 1058 98 98 TYR N N 113.232 0.3 1 1059 99 99 LYS H H 8.360 0.020 1 1060 99 99 LYS HB2 H 1.787 0.020 2 1061 99 99 LYS HB3 H 1.934 0.020 2 1062 99 99 LYS HG2 H 1.225 0.020 2 1063 99 99 LYS HG3 H 1.342 0.020 2 1064 99 99 LYS HD2 H 1.624 0.020 2 1065 99 99 LYS HD3 H 1.966 0.020 2 1066 99 99 LYS HE2 H 4.085 0.020 2 1067 99 99 LYS HE3 H 3.985 0.020 2 1068 99 99 LYS HZ H 7.746 0.020 1 1069 99 99 LYS C C 178.316 0.3 1 1070 99 99 LYS CA C 58.691 0.3 1 1071 99 99 LYS CB C 36.127 0.3 1 1072 99 99 LYS CD C 34.955 0.3 1 1073 99 99 LYS CE C 47.849 0.3 1 1074 99 99 LYS N N 123.726 0.3 1 1075 99 99 LYS NZ N 53.295 0.3 1 1076 100 100 ASN H H 5.778 0.020 1 1077 100 100 ASN HB2 H 2.704 0.020 2 1078 100 100 ASN HB3 H 2.806 0.020 2 1079 100 100 ASN HD21 H 7.355 0.020 1 1080 100 100 ASN HD22 H 7.179 0.020 1 1081 100 100 ASN C C 175.979 0.3 1 1082 100 100 ASN CA C 53.407 0.3 1 1083 100 100 ASN CB C 37.596 0.3 1 1084 100 100 ASN N N 111.970 0.3 1 1085 100 100 ASN ND2 N 115.732 0.3 1 1086 101 101 VAL H H 7.370 0.020 1 1087 101 101 VAL HG1 H 0.845 0.020 2 1088 101 101 VAL HG2 H 0.962 0.020 2 1089 101 101 VAL C C 173.635 0.3 1 1090 101 101 VAL CA C 62.777 0.3 1 1091 101 101 VAL CB C 27.054 0.3 1 1092 101 101 VAL CG1 C 20.304 0.3 1 1093 101 101 VAL CG2 C 20.890 0.3 1 1094 101 101 VAL N N 118.877 0.3 1 1095 102 102 PRO HB2 H 2.112 0.020 2 1096 102 102 PRO HB3 H 2.261 0.020 2 1097 102 102 PRO HG2 H 1.859 0.020 2 1098 102 102 PRO HG3 H 1.939 0.020 2 1099 102 102 PRO HD2 H 3.532 0.020 2 1100 102 102 PRO HD3 H 3.688 0.020 2 1101 102 102 PRO C C 176.566 0.3 1 1102 102 102 PRO CA C 62.500 0.3 1 1103 102 102 PRO CB C 30.853 0.3 1 1104 102 102 PRO N N 117.084 0.3 1 1105 103 103 ASN H H 7.879 0.020 1 1106 103 103 ASN HB2 H 2.609 0.020 2 1107 103 103 ASN HB3 H 2.663 0.020 2 1108 103 103 ASN HD21 H 7.394 0.020 1 1109 103 103 ASN HD22 H 7.091 0.020 1 1110 103 103 ASN C C 175.100 0.3 1 1111 103 103 ASN CA C 54.579 0.3 1 1112 103 103 ASN CB C 38.767 0.3 1 1113 103 103 ASN N N 122.728 0.3 1 1114 103 103 ASN ND2 N 117.112 0.3 1 1115 104 104 TRP H H 7.902 0.020 1 1116 104 104 TRP HB2 H 3.526 0.020 2 1117 104 104 TRP HB3 H 3.634 0.020 2 1118 104 104 TRP HD1 H 7.208 0.020 1 1119 104 104 TRP HE1 H 10.445 0.020 1 1120 104 104 TRP HE3 H 7.648 0.020 1 1121 104 104 TRP HZ2 H 7.697 0.020 1 1122 104 104 TRP HZ3 H 6.983 0.020 1 1123 104 104 TRP HH2 H 7.091 0.020 1 1124 104 104 TRP C C 174.215 0.3 1 1125 104 104 TRP CA C 59.273 0.3 1 1126 104 104 TRP CB C 35.250 0.3 1 1127 104 104 TRP CD1 C 137.300 0.3 1 1128 104 104 TRP CD2 C 155.174 0.3 1 1129 104 104 TRP CE2 C 135.430 0.3 1 1130 104 104 TRP CE3 C 174.807 0.3 1 1131 104 104 TRP CZ2 C 115.029 0.3 1 1132 104 104 TRP CZ3 C 119.425 0.3 1 1133 104 104 TRP CH2 C 116.201 0.3 1 1134 104 104 TRP N N 122.730 0.3 1 1135 104 104 TRP NE1 N 134.295 0.3 1 1136 105 105 HIS H H 6.971 0.020 1 1137 105 105 HIS HB2 H 3.045 0.020 2 1138 105 105 HIS HB3 H 3.139 0.020 2 1139 105 105 HIS HD1 H 10.396 0.020 1 1140 105 105 HIS HD2 H 7.188 0.020 1 1141 105 105 HIS HE1 H 7.814 0.020 1 1142 105 105 HIS HE2 H 11.112 0.020 1 1143 105 105 HIS C C 177.738 0.3 1 1144 105 105 HIS CD2 C 115.029 0.3 1 1145 105 105 HIS CE1 C 139.644 0.3 1 1146 105 105 HIS N N 120.869 0.3 1 1147 105 105 HIS ND1 N 192.113 0.3 1 1148 105 105 HIS NE2 N 179.221 0.3 1 1149 106 106 ARG H H 7.507 0.020 1 1150 106 106 ARG HB2 H 1.836 0.020 2 1151 106 106 ARG HB3 H 1.984 0.020 2 1152 106 106 ARG HG2 H 1.382 0.020 2 1153 106 106 ARG HG3 H 1.460 0.020 2 1154 106 106 ARG HD2 H 3.069 0.020 2 1155 106 106 ARG HD3 H 3.235 0.020 2 1156 106 106 ARG HH11 H 6.866 0.020 1 1157 106 106 ARG HH12 H 6.905 0.020 1 1158 106 106 ARG HH21 H 6.797 0.020 1 1159 106 106 ARG HH22 H 6.729 0.020 1 1160 106 106 ARG C C 176.566 0.3 1 1161 106 106 ARG CA C 62.777 0.3 1 1162 106 106 ARG CB C 29.397 0.3 1 1163 106 106 ARG CZ C 159.863 0.3 1 1164 106 106 ARG N N 126.314 0.3 1 1165 106 106 ARG NE N 89.393 0.3 1 1166 106 106 ARG NH1 N 79.294 0.3 1 1167 106 106 ARG NH2 N 79.729 0.3 1 1168 107 107 ASP H H 9.076 0.020 1 1169 107 107 ASP HB2 H 2.538 0.020 2 1170 107 107 ASP HB3 H 2.687 0.020 2 1171 107 107 ASP C C 176.566 0.3 1 1172 107 107 ASP CA C 55.164 0.3 1 1173 107 107 ASP CB C 41.695 0.3 1 1174 107 107 ASP N N 119.076 0.3 1 1175 108 108 LEU H H 6.725 0.020 1 1176 108 108 LEU HB2 H 1.444 0.020 2 1177 108 108 LEU HB3 H 1.585 0.020 2 1178 108 108 LEU HD1 H 0.820 0.020 2 1179 108 108 LEU HD2 H 0.890 0.020 2 1180 108 108 LEU C C 176.273 0.3 1 1181 108 108 LEU CA C 59.264 0.3 1 1182 108 108 LEU CB C 48.722 0.3 1 1183 108 108 LEU CD1 C 24.113 0.3 1 1184 108 108 LEU CD2 C 24.992 0.3 1 1185 108 108 LEU N N 113.299 0.3 1 1186 109 109 VAL H H 8.763 0.020 1 1187 109 109 VAL HG1 H 0.820 0.020 2 1188 109 109 VAL HG2 H 0.976 0.020 2 1189 109 109 VAL C C 175.393 0.3 1 1190 109 109 VAL CA C 63.949 0.3 1 1191 109 109 VAL CB C 32.911 0.3 1 1192 109 109 VAL CG1 C 22.355 0.3 1 1193 109 109 VAL CG2 C 22.941 0.3 1 1194 109 109 VAL N N 121.267 0.3 1 1195 110 110 ARG H H 7.241 0.020 1 1196 110 110 ARG HB2 H 1.687 0.020 2 1197 110 110 ARG HB3 H 1.742 0.020 2 1198 110 110 ARG HG2 H 1.444 0.020 2 1199 110 110 ARG HG3 H 1.577 0.020 2 1200 110 110 ARG HD2 H 3.038 0.020 2 1201 110 110 ARG HD3 H 3.085 0.020 2 1202 110 110 ARG HE H 7.492 0.020 1 1203 110 110 ARG HH11 H 6.885 0.020 1 1204 110 110 ARG HH12 H 6.827 0.020 1 1205 110 110 ARG HH21 H 6.719 0.020 1 1206 110 110 ARG HH22 H 6.748 0.020 1 1207 110 110 ARG C C 176.273 0.3 1 1208 110 110 ARG CA C 57.507 0.3 1 1209 110 110 ARG CB C 30.568 0.3 1 1210 110 110 ARG CZ C 158.984 0.3 1 1211 110 110 ARG N N 112.900 0.3 1 1212 110 110 ARG NE N 94.021 0.3 1 1213 110 110 ARG NH1 N 80.394 0.3 1 1214 110 110 ARG NH2 N 80.302 0.3 1 1215 111 111 VAL H H 7.566 0.020 1 1216 111 111 VAL HG1 H 0.742 0.020 2 1217 111 111 VAL HG2 H 0.890 0.020 2 1218 111 111 VAL C C 177.445 0.3 1 1219 111 111 VAL CA C 59.849 0.3 1 1220 111 111 VAL CB C 32.911 0.3 1 1221 111 111 VAL CG1 C 20.011 0.3 1 1222 111 111 VAL CG2 C 20.890 0.3 1 1223 111 111 VAL N N 115.556 0.3 1 1224 112 112 CYS H H 7.425 0.020 1 1225 112 112 CYS HB2 H 3.030 0.020 2 1226 112 112 CYS HB3 H 3.077 0.020 2 1227 112 112 CYS C C 169.826 0.3 1 1228 112 112 CYS CA C 57.507 0.3 1 1229 112 112 CYS CB C 35.839 0.3 1 1230 112 112 CYS N N 114.295 0.3 1 1231 113 113 GLU H H 7.241 0.020 1 1232 113 113 GLU HB2 H 1.862 0.020 2 1233 113 113 GLU HB3 H 1.924 0.020 2 1234 113 113 GLU HG2 H 2.095 0.020 2 1235 113 113 GLU HG3 H 2.197 0.020 2 1236 113 113 GLU C C 176.566 0.3 1 1237 113 113 GLU CA C 69.219 0.3 1 1238 113 113 GLU CB C 30.568 0.3 1 1239 113 113 GLU N N 116.486 0.3 1 1240 114 114 ASN H H 8.919 0.020 1 1241 114 114 ASN HB2 H 2.650 0.020 2 1242 114 114 ASN HB3 H 2.640 0.020 2 1243 114 114 ASN HD21 H 7.355 0.020 1 1244 114 114 ASN HD22 H 7.188 0.020 1 1245 114 114 ASN C C 175.100 0.3 1 1246 114 114 ASN CA C 52.236 0.3 1 1247 114 114 ASN CB C 39.938 0.3 1 1248 114 114 ASN N N 129.302 0.3 1 1249 114 114 ASN ND2 N 1114.29 0.3 1 1250 115 115 ILE H H 9.287 0.020 1 1251 115 115 ILE HG12 H 1.225 0.020 2 1252 115 115 ILE HG13 H 1.225 0.020 1 1253 115 115 ILE HG2 H 0.695 0.020 1 1254 115 115 ILE HD1 H 0.491 0.020 1 1255 115 115 ILE C C 175.100 0.3 1 1256 115 115 ILE CA C 65.705 0.3 1 1257 115 115 ILE CB C 39.353 0.3 1 1258 115 115 ILE CG1 C 27.044 0.3 1 1259 115 115 ILE CG2 C 17.374 0.3 1 1260 115 115 ILE CD1 C 13.564 0.3 1 1261 115 115 ILE N N 110.443 0.3 1 1262 116 116 PRO HB2 H 2.194 0.020 2 1263 116 116 PRO HB3 H 2.264 0.020 2 1264 116 116 PRO HG2 H 1.843 0.020 2 1265 116 116 PRO HG3 H 2.061 0.020 2 1266 116 116 PRO HD2 H 3.515 0.020 2 1267 116 116 PRO HD3 H 3.609 0.020 2 1268 116 116 PRO C C 175.979 0.3 1 1269 116 116 PRO CA C 63.086 0.3 1 1270 116 116 PRO CB C 29.681 0.3 1 1271 116 116 PRO N N 117.548 0.3 1 1272 117 117 ILE H H 7.781 0.020 1 1273 117 117 ILE HG12 H 1.336 0.020 2 1274 117 117 ILE HG13 H 1.336 0.020 2 1275 117 117 ILE HG2 H 0.962 0.020 1 1276 117 117 ILE HD1 H 0.876 0.020 1 1277 117 117 ILE C C 174.807 0.3 1 1278 117 117 ILE CA C 66.291 0.3 1 1279 117 117 ILE CB C 38.767 0.3 1 1280 117 117 ILE CG1 C 27.630 0.3 1 1281 117 117 ILE CG2 C 18.253 0.3 1 1282 117 117 ILE CD1 C 12.978 0.3 1 1283 117 117 ILE N N 123.591 0.3 1 1284 118 118 VAL H H 8.767 0.020 1 1285 118 118 VAL HG1 H 0.917 0.020 2 1286 118 118 VAL HG2 H 0.948 0.020 2 1287 118 118 VAL C C 178.324 0.3 1 1288 118 118 VAL CA C 62.777 0.3 1 1289 118 118 VAL CB C 31.154 0.3 1 1290 118 118 VAL CG1 C 20.597 0.3 1 1291 118 118 VAL CG2 C 22.355 0.3 1 1292 118 118 VAL N N 119.009 0.3 1 1293 119 119 LEU H H 7.734 0.020 1 1294 119 119 LEU HB2 H 1.516 0.020 2 1295 119 119 LEU HB3 H 1.624 0.020 2 1296 119 119 LEU HD1 H 0.790 0.020 2 1297 119 119 LEU HD2 H 0.853 0.020 2 1298 119 119 LEU C C 178.031 0.3 1 1299 119 119 LEU CA C 42.866 0.3 1 1300 119 119 LEU CB C 38.767 0.3 1 1301 119 119 LEU CD1 C 23.234 0.3 1 1302 119 119 LEU CD2 C 23.820 0.3 1 1303 119 119 LEU N N 119.408 0.3 1 1304 120 120 CYS H H 8.317 0.020 1 1305 120 120 CYS HB2 H 3.077 0.020 2 1306 120 120 CYS HB3 H 3.225 0.020 2 1307 120 120 CYS C C 178.031 0.3 1 1308 120 120 CYS N N 113.232 0.3 1 1309 121 121 GLY H H 7.515 0.020 1 1310 121 121 GLY HA2 H 3.906 0.020 2 1311 121 121 GLY HA3 H 4.156 0.020 2 1312 121 121 GLY C C 176.851 0.3 1 1313 121 121 GLY CA C 41.109 0.3 1 1314 121 121 GLY N N 117.349 0.3 1 1315 122 122 ASN H H 9.162 0.020 1 1316 122 122 ASN HB2 H 2.883 0.020 2 1317 122 122 ASN HB3 H 2.945 0.020 2 1318 122 122 ASN HD21 H 7.404 0.020 1 1319 122 122 ASN HD22 H 7.130 0.020 1 1320 122 122 ASN C C 175.686 0.3 1 1321 122 122 ASN CA C 50.479 0.3 1 1322 122 122 ASN CB C 39.353 0.3 1 1323 122 122 ASN N N 125.318 0.3 1 1324 122 122 ASN ND2 N 111.644 0.3 1 1325 123 123 LYS H H 7.953 0.020 1 1326 123 123 LYS HB2 H 1.712 0.020 2 1327 123 123 LYS HB3 H 1.790 0.020 2 1328 123 123 LYS HG2 H 1.242 0.020 2 1329 123 123 LYS HG3 H 1.526 0.020 2 1330 123 123 LYS HD2 H 1.643 0.020 2 1331 123 123 LYS HD3 H 1.712 0.020 2 1332 123 123 LYS HE2 H 3.078 0.020 2 1333 123 123 LYS HE3 H 3.477 0.020 2 1334 123 123 LYS HZ H 9.279 0.020 1 1335 123 123 LYS C C 173.043 0.3 1 1336 123 123 LYS CA C 58.101 0.3 1 1337 123 123 LYS CB C 35.543 0.3 1 1338 123 123 LYS CD C 33.492 0.3 1 1339 123 123 LYS CE C 45.211 0.3 1 1340 123 123 LYS N N 122.132 0.3 1 1341 123 123 LYS NZ N 53.492 0.3 1 1342 124 124 VAL H H 8.555 0.020 1 1343 124 124 VAL HB H 1.976 0.020 1 1344 124 124 VAL HG1 H 0.878 0.020 2 1345 124 124 VAL HG2 H 0.936 0.020 2 1346 124 124 VAL C C 175.679 0.3 1 1347 124 124 VAL CA C 64.840 0.3 1 1348 124 124 VAL CB C 42.574 0.3 1 1349 124 124 VAL CG1 C 29.683 0.3 1 1350 124 124 VAL CG2 C 28.511 0.3 1 1351 124 124 VAL N N 123.726 0.3 1 1352 125 125 ASP H H 7.875 0.020 1 1353 125 125 ASP HB2 H 2.792 0.020 2 1354 125 125 ASP HB3 H 2.901 0.020 2 1355 125 125 ASP C C 176.566 0.3 1 1356 125 125 ASP CA C 55.750 0.3 1 1357 125 125 ASP CB C 40.524 0.3 1 1358 125 125 ASP N N 119.607 0.3 1 1359 126 126 ILE H H 7.511 0.020 1 1360 126 126 ILE HG12 H 1.264 0.020 2 1361 126 126 ILE HG13 H 1.264 0.020 2 1362 126 126 ILE HG2 H 0.888 0.020 1 1363 126 126 ILE HD1 H 0.609 0.020 1 1364 126 126 ILE C C 177.152 0.3 1 1365 126 126 ILE CA C 66.291 0.3 1 1366 126 126 ILE CB C 39.353 0.3 1 1367 126 126 ILE CG1 C 26.457 0.3 1 1368 126 126 ILE CG2 C 16.787 0.3 1 1369 126 126 ILE CD1 C 13.564 0.3 1 1370 126 126 ILE N N 116.088 0.3 1 1371 127 127 LYS H H 8.113 0.020 1 1372 127 127 LYS HB2 H 5.195 0.020 2 1373 127 127 LYS HB3 H 6.917 0.020 2 1374 127 127 LYS HG2 H 5.428 0.020 2 1375 127 127 LYS HG3 H 5.575 0.020 2 1376 127 127 LYS HD2 H 5.614 0.020 2 1377 127 127 LYS HD3 H 5.663 0.020 2 1378 127 127 LYS HE2 H 5.731 0.020 2 1379 127 127 LYS HE3 H 5.800 0.020 2 1380 127 127 LYS HZ H 8.108 0.020 1 1381 127 127 LYS C C 175.979 0.3 1 1382 127 127 LYS CA C 58.101 0.3 1 1383 127 127 LYS CB C 35.834 0.3 1 1384 127 127 LYS CD C 26.168 0.3 1 1385 127 127 LYS CE C 46.968 0.3 1 1386 127 127 LYS N N 121.203 0.3 1 1387 127 127 LYS NZ N 53.294 0.3 1 1388 128 128 ASP H H 7.241 0.020 1 1389 128 128 ASP HB2 H 2.829 0.020 2 1390 128 128 ASP HB3 H 2.884 0.020 2 1391 128 128 ASP C C 176.566 0.3 1 1392 128 128 ASP CA C 53.407 0.3 1 1393 128 128 ASP CB C 40.524 0.3 1 1394 128 128 ASP N N 118.279 0.3 1 1395 129 129 ARG H H 8.423 0.020 1 1396 129 129 ARG HB2 H 1.649 0.020 2 1397 129 129 ARG HB3 H 1.837 0.020 2 1398 129 129 ARG HG2 H 1.274 0.020 2 1399 129 129 ARG HG3 H 1.477 0.020 2 1400 129 129 ARG HD2 H 3.077 0.020 2 1401 129 129 ARG HD3 H 3.139 0.020 2 1402 129 129 ARG HH11 H 6.885 0.020 1 1403 129 129 ARG HH12 H 6.905 0.020 1 1404 129 129 ARG HH21 H 6.846 0.020 1 1405 129 129 ARG HH22 H 6.797 0.020 1 1406 129 129 ARG C C 177.738 0.3 1 1407 129 129 ARG CA C 45.794 0.3 1 1408 129 129 ARG CB C 31.154 0.3 1 1409 129 129 ARG CZ C 162.793 0.3 1 1410 129 129 ARG N N 118.943 0.3 1 1411 129 129 ARG NE N 92.393 0.3 1 1412 129 129 ARG NH1 N 80.393 0.3 1 1413 129 129 ARG NH2 N 80.284 0.3 1 1414 130 130 LYS H H 7.296 0.020 1 1415 130 130 LYS HB2 H 1.735 0.020 2 1416 130 130 LYS HB3 H 1.900 0.020 2 1417 130 130 LYS HG2 H 1.141 0.020 2 1418 130 130 LYS HG3 H 1.258 0.020 2 1419 130 130 LYS HD2 H 1.416 0.020 2 1420 130 130 LYS HD3 H 1.557 0.020 2 1421 130 130 LYS HE2 H 2.838 0.020 2 1422 130 130 LYS HE3 H 2.956 0.020 2 1423 130 130 LYS HZ H 7.668 0.020 1 1424 130 130 LYS C C 176.566 0.3 1 1425 130 130 LYS CA C 55.164 0.3 1 1426 130 130 LYS CB C 36.424 0.3 1 1427 130 130 LYS N N 109.381 0.3 1 1428 130 130 LYS NZ N 42.394 0.3 1 1429 131 131 VAL H H 9.283 0.020 1 1430 131 131 VAL HG1 H 0.804 0.020 2 1431 131 131 VAL HG2 H 0.953 0.020 2 1432 131 131 VAL C C 178.617 0.3 1 1433 131 131 VAL CA C 65.705 0.3 1 1434 131 131 VAL CB C 35.839 0.3 1 1435 131 131 VAL CG1 C 20.304 0.3 1 1436 131 131 VAL CG2 C 21.769 0.3 1 1437 131 131 VAL N N 110.377 0.3 1 1438 132 132 LYS H H 9.709 0.020 1 1439 132 132 LYS HB2 H 1.687 0.020 2 1440 132 132 LYS HB3 H 1.890 0.020 2 1441 132 132 LYS HG2 H 1.155 0.020 2 1442 132 132 LYS HG3 H 1.258 0.020 2 1443 132 132 LYS HD2 H 1.319 0.020 2 1444 132 132 LYS HD3 H 1.382 0.020 2 1445 132 132 LYS HE2 H 3.053 0.020 2 1446 132 132 LYS HE3 H 3.100 0.020 2 1447 132 132 LYS HZ H 7.228 0.020 1 1448 132 132 LYS C C 176.273 0.3 1 1449 132 132 LYS CA C 59.849 0.3 1 1450 132 132 LYS CB C 35.253 0.3 1 1451 132 132 LYS N N 110.310 0.3 1 1452 132 132 LYS NZ N 49.592 0.3 1 1453 133 133 ALA H H 6.322 0.020 1 1454 133 133 ALA HB H 1.335 0.020 1 1455 133 133 ALA CA C 51.065 0.3 1 1456 133 133 ALA CB C 12.999 0.3 1 1457 133 133 ALA N N 134.349 0.3 1 1458 134 134 LYS H H 6.549 0.020 1 1459 134 134 LYS HB2 H 1.828 0.020 2 1460 134 134 LYS HB3 H 2.000 0.020 2 1461 134 134 LYS HG2 H 1.233 0.020 2 1462 134 134 LYS HG3 H 1.288 0.020 2 1463 134 134 LYS HD2 H 1.343 0.020 2 1464 134 134 LYS HD3 H 1.648 0.020 2 1465 134 134 LYS HE2 H 2.892 0.020 2 1466 134 134 LYS HE3 H 2.931 0.020 2 1467 134 134 LYS HZ H 7.404 0.020 1 1468 134 134 LYS C C 176.859 0.3 1 1469 134 134 LYS CA C 55.750 0.3 1 1470 134 134 LYS CB C 54.579 0.3 1 1471 134 134 LYS N N 117.615 0.3 1 1472 134 134 LYS NZ N 49.302 0.3 1 1473 135 135 SER H H 7.840 0.020 1 1474 135 135 SER HB2 H 3.845 0.020 2 1475 135 135 SER HB3 H 3.868 0.020 2 1476 135 135 SER C C 173.635 0.3 1 1477 135 135 SER CA C 56.336 0.3 1 1478 135 135 SER CB C 63.949 0.3 1 1479 135 135 SER N N 109.314 0.3 1 1480 136 136 ILE H H 8.098 0.020 1 1481 136 136 ILE HG12 H 1.235 0.020 2 1482 136 136 ILE HG13 H 1.235 0.020 2 1483 136 136 ILE HG2 H 0.979 0.020 1 1484 136 136 ILE HD1 H 0.682 0.020 1 1485 136 136 ILE C C 175.100 0.3 1 1486 136 136 ILE CA C 68.634 0.3 1 1487 136 136 ILE CB C 43.452 0.3 1 1488 136 136 ILE CG1 C 27.044 0.3 1 1489 136 136 ILE CG2 C 17.667 0.3 1 1490 136 136 ILE CD1 C 14.443 0.3 1 1491 136 136 ILE N N 124.123 0.3 1 1492 137 137 VAL H H 7.711 0.020 1 1493 137 137 VAL HG1 H 0.774 0.020 2 1494 137 137 VAL HG2 H 0.829 0.020 2 1495 137 137 VAL C C 176.859 0.3 1 1496 137 137 VAL CA C 64.534 0.3 1 1497 137 137 VAL CB C 34.082 0.3 1 1498 137 137 VAL CG1 C 20.011 0.3 1 1499 137 137 VAL CG2 C 20.890 0.3 1 1500 137 137 VAL N N 113.232 0.3 1 1501 138 138 PHE H H 8.317 0.020 1 1502 138 138 PHE HB2 H 3.038 0.020 2 1503 138 138 PHE HB3 H 3.085 0.020 2 1504 138 138 PHE HD1 H 7.022 0.020 3 1505 138 138 PHE HD2 H 7.071 0.020 3 1506 138 138 PHE HE1 H 7.100 0.020 3 1507 138 138 PHE HE2 H 7.169 0.020 3 1508 138 138 PHE HZ H 6.973 0.020 1 1509 138 138 PHE C C 175.393 0.3 1 1510 138 138 PHE CA C 58.092 0.3 1 1511 138 138 PHE CB C 39.353 0.3 1 1512 138 138 PHE CD1 C 132.318 0.3 1 1513 138 138 PHE CD2 C 133.490 0.3 1 1514 138 138 PHE CE1 C 130.853 0.3 1 1515 138 138 PHE CE2 C 131.732 0.3 1 1516 138 138 PHE CZ C 128.802 0.3 1 1517 138 138 PHE N N 118.279 0.3 1 1518 139 139 HIS H H 8.094 0.020 1 1519 139 139 HIS HB2 H 6.463 0.020 2 1520 139 139 HIS HB3 H 6.885 0.020 2 1521 139 139 HIS HD1 H 10.476 0.020 1 1522 139 139 HIS HD2 H 7.472 0.020 1 1523 139 139 HIS HE1 H 7.683 0.020 1 1524 139 139 HIS HE2 H 12.494 0.020 1 1525 139 139 HIS C C 175.979 0.3 1 1526 139 139 HIS CA C 67.775 0.3 1 1527 139 139 HIS CB C 35.836 0.3 1 1528 139 139 HIS CD2 C 126.168 0.3 1 1529 139 139 HIS CE1 C 141.988 0.3 1 1530 139 139 HIS N N 120.605 0.3 1 1531 139 139 HIS ND1 N 198.229 0.3 1 1532 139 139 HIS NE2 N 183.28 0.3 1 1533 140 140 ARG H H 8.149 0.020 1 1534 140 140 ARG HB2 H 1.634 0.020 2 1535 140 140 ARG HB3 H 1.653 0.020 2 1536 140 140 ARG HG2 H 1.829 0.020 2 1537 140 140 ARG HG3 H 1.858 0.020 2 1538 140 140 ARG HD2 H 3.038 0.020 2 1539 140 140 ARG HD3 H 3.194 0.020 2 1540 140 140 ARG HE H 9.099 0.020 1 1541 140 140 ARG HH11 H 6.619 0.020 1 1542 140 140 ARG HH12 H 6.494 0.020 1 1543 140 140 ARG HH21 H 6.856 0.020 1 1544 140 140 ARG HH22 H 6.963 0.020 1 1545 140 140 ARG C C 178.023 0.3 1 1546 140 140 ARG CA C 58.394 0.3 1 1547 140 140 ARG CB C 39.644 0.3 1 1548 140 140 ARG CD C 44.039 0.3 1 1549 140 140 ARG CZ C 159.820 0.3 1 1550 140 140 ARG N N 120.140 0.3 1 1551 140 140 ARG NE N 108.393 0.3 1 1552 140 140 ARG NH1 N 84.292 0.3 1 1553 140 140 ARG NH2 N 79.393 0.3 1 1554 141 141 LYS H H 7.449 0.020 1 1555 141 141 LYS HB2 H 1.735 0.020 2 1556 141 141 LYS HB3 H 1.807 0.020 2 1557 141 141 LYS HG2 H 1.311 0.020 2 1558 141 141 LYS HG3 H 1.515 0.020 2 1559 141 141 LYS HD2 H 1.538 0.020 2 1560 141 141 LYS HD3 H 1.625 0.020 2 1561 141 141 LYS HE2 H 2.834 0.020 2 1562 141 141 LYS HE3 H 2.968 0.020 2 1563 141 141 LYS HZ H 7.306 0.020 1 1564 141 141 LYS C C 173.635 0.3 1 1565 141 141 LYS CA C 58.092 0.3 1 1566 141 141 LYS CB C 33.496 0.3 1 1567 141 141 LYS N N 115.623 0.3 1 1568 141 141 LYS NZ N 49.238 0.3 1 1569 142 142 LYS H H 8.982 0.020 1 1570 142 142 LYS HB2 H 1.679 0.020 2 1571 142 142 LYS HB3 H 1.922 0.020 2 1572 142 142 LYS HG2 H 1.233 0.020 2 1573 142 142 LYS HG3 H 1.351 0.020 2 1574 142 142 LYS HD2 H 1.523 0.020 2 1575 142 142 LYS HD3 H 1.570 0.020 2 1576 142 142 LYS HE2 H 2.991 0.020 2 1577 142 142 LYS HE3 H 3.092 0.020 2 1578 142 142 LYS HZ H 7.355 0.020 1 1579 142 142 LYS C C 175.979 0.3 1 1580 142 142 LYS CA C 51.065 0.3 1 1581 142 142 LYS CB C 34.668 0.3 1 1582 142 142 LYS N N 114.162 0.3 1 1583 142 142 LYS NZ N 49.223 0.3 1 1584 143 143 ASN H H 7.402 0.020 1 1585 143 143 ASN HB2 H 2.870 0.020 2 1586 143 143 ASN HB3 H 2.932 0.020 2 1587 143 143 ASN HD21 H 7.384 0.020 1 1588 143 143 ASN HD22 H 7.140 0.020 1 1589 143 143 ASN C C 175.100 0.3 1 1590 143 143 ASN CA C 53.407 0.3 1 1591 143 143 ASN CB C 39.938 0.3 1 1592 143 143 ASN N N 112.103 0.3 1 1593 143 143 ASN ND2 N 129.293 0.3 1 1594 144 144 LEU H H 7.793 0.020 1 1595 144 144 LEU HB2 H 1.632 0.020 2 1596 144 144 LEU HB3 H 1.986 0.020 2 1597 144 144 LEU HD1 H 0.635 0.020 2 1598 144 144 LEU HD2 H 0.713 0.020 2 1599 144 144 LEU CA C 53.993 0.3 1 1600 144 144 LEU CB C 42.866 0.3 1 1601 144 144 LEU CD1 C 25.285 0.3 1 1602 144 144 LEU CD2 C 25.871 0.3 1 1603 144 144 LEU N N 118.810 0.3 1 1604 145 145 GLN H H 7.014 0.020 1 1605 145 145 GLN HB2 H 1.884 0.020 2 1606 145 145 GLN HB3 H 2.001 0.020 2 1607 145 145 GLN HG2 H 2.183 0.020 2 1608 145 145 GLN HG3 H 2.214 0.020 2 1609 145 145 GLN HE21 H 7.345 0.020 1 1610 145 145 GLN HE22 H 6.797 0.020 1 1611 145 145 GLN C C 176.859 0.3 1 1612 145 145 GLN CA C 55.164 0.3 1 1613 145 145 GLN CB C 29.983 0.3 1 1614 145 145 GLN N N 119.607 0.3 1 1615 145 145 GLN NE2 N 111.029 0.3 1 1616 146 146 TYR H H 9.350 0.020 1 1617 146 146 TYR HB2 H 3.000 0.020 2 1618 146 146 TYR HB3 H 3.053 0.020 2 1619 146 146 TYR HD1 H 6.866 0.020 3 1620 146 146 TYR HD2 H 6.963 0.020 3 1621 146 146 TYR HE1 H 6.690 0.020 3 1622 146 146 TYR HE2 H 6.709 0.020 3 1623 146 146 TYR HH H 9.213 0.020 1 1624 146 146 TYR C C 174.807 0.3 1 1625 146 146 TYR CA C 62.777 0.3 1 1626 146 146 TYR CB C 41.109 0.3 1 1627 146 146 TYR CD1 C 132.025 0.3 1 1628 146 146 TYR CD2 C 132.904 0.3 1 1629 146 146 TYR CE1 C 118.253 0.3 1 1630 146 146 TYR CE2 C 118.839 0.3 1 1631 146 146 TYR CZ C 154.881 0.3 1 1632 146 146 TYR N N 119.275 0.3 1 1633 147 147 TYR H H 8.340 0.020 1 1634 147 147 TYR HB2 H 2.860 0.020 2 1635 147 147 TYR HB3 H 2.907 0.020 2 1636 147 147 TYR HD1 H 6.954 0.020 3 1637 147 147 TYR HD2 H 6.934 0.020 3 1638 147 147 TYR HE1 H 6.709 0.020 3 1639 147 147 TYR HE2 H 6.690 0.020 3 1640 147 147 TYR HH H 9.291 0.020 1 1641 147 147 TYR C C 177.738 0.3 1 1642 147 147 TYR CA C 58.092 0.3 1 1643 147 147 TYR CB C 39.938 0.3 1 1644 147 147 TYR CD1 C 130.267 0.3 1 1645 147 147 TYR CD2 C 132.904 0.3 1 1646 147 147 TYR CE1 C 117.667 0.3 1 1647 147 147 TYR CE2 C 116.494 0.3 1 1648 147 147 TYR CZ C 154.588 0.3 1 1649 147 147 TYR N N 123.658 0.3 1 1650 148 148 ASP H H 8.911 0.020 1 1651 148 148 ASP HB2 H 2.624 0.020 2 1652 148 148 ASP HB3 H 2.820 0.020 2 1653 148 148 ASP C C 176.859 0.3 1 1654 148 148 ASP CA C 54.579 0.3 1 1655 148 148 ASP CB C 41.109 0.3 1 1656 148 148 ASP N N 121.267 0.3 1 1657 149 149 ILE H H 8.712 0.020 1 1658 149 149 ILE HG12 H 1.202 0.020 2 1659 149 149 ILE HG13 H 1.202 0.020 2 1660 149 149 ILE HG2 H 0.884 0.020 1 1661 149 149 ILE HD1 H 0.767 0.020 1 1662 149 149 ILE C C 174.807 0.3 1 1663 149 149 ILE CA C 61.020 0.3 1 1664 149 149 ILE CB C 39.353 0.3 1 1665 149 149 ILE CG1 C 27.337 0.3 1 1666 149 149 ILE CG2 C 16.494 0.3 1 1667 149 149 ILE CD1 C 12.978 0.3 1 1668 149 149 ILE N N 119.607 0.3 1 1669 150 150 SER H H 8.454 0.020 1 1670 150 150 SER HB2 H 3.696 0.020 2 1671 150 150 SER HB3 H 3.946 0.020 2 1672 150 150 SER C C 175.686 0.3 1 1673 150 150 SER CA C 60.435 0.3 1 1674 150 150 SER CB C 62.192 0.3 1 1675 150 150 SER N N 117.349 0.3 1 1676 151 151 ALA H H 10.640 0.020 1 1677 151 151 ALA HB H 1.200 0.020 1 1678 151 151 ALA C C 160.742 0.3 1 1679 151 151 ALA CA C 53.993 0.3 1 1680 151 151 ALA CB C 22.369 0.3 1 1681 151 151 ALA N N 131.162 0.3 1 1682 152 152 LYS H H 9.099 0.020 1 1683 152 152 LYS HB2 H 1.945 0.020 2 1684 152 152 LYS HB3 H 1.969 0.020 2 1685 152 152 LYS HG2 H 1.274 0.020 2 1686 152 152 LYS HG3 H 1.289 0.020 2 1687 152 152 LYS HD2 H 1.344 0.020 2 1688 152 152 LYS HD3 H 1.430 0.020 2 1689 152 152 LYS HE2 H 3.163 0.020 2 1690 152 152 LYS HE3 H 3.186 0.020 2 1691 152 152 LYS HZ H 7.462 0.020 1 1692 152 152 LYS C C 174.221 0.3 1 1693 152 152 LYS CA C 59.849 0.3 1 1694 152 152 LYS CB C 34.668 0.3 1 1695 152 152 LYS N N 121.400 0.3 1 1696 152 152 LYS NZ N 49.220 0.3 1 1697 153 153 SER H H 8.935 0.020 1 1698 153 153 SER HB2 H 4.155 0.020 1 1699 153 153 SER HB3 H 4.155 0.020 1 1700 153 153 SER C C 177.152 0.3 1 1701 153 153 SER CA C 62.192 0.3 1 1702 153 153 SER CB C 66.291 0.3 1 1703 153 153 SER N N 115.212 0.3 1 1704 154 154 ASN H H 7.488 0.020 1 1705 154 154 ASN HB2 H 2.859 0.020 2 1706 154 154 ASN HB3 H 2.929 0.020 2 1707 154 154 ASN HD21 H 7.384 0.020 1 1708 154 154 ASN HD22 H 7.071 0.020 1 1709 154 154 ASN C C 175.979 0.3 1 1710 154 154 ASN CA C 49.894 0.3 1 1711 154 154 ASN CB C 39.353 0.3 1 1712 154 154 ASN N N 119.341 0.3 1 1713 154 154 ASN ND2 N 125.213 0.3 1 1714 155 155 TYR H H 7.945 0.020 1 1715 155 155 TYR HB2 H 2.817 0.020 2 1716 155 155 TYR HB3 H 2.915 0.020 2 1717 155 155 TYR HD1 H 7.032 0.020 3 1718 155 155 TYR HD2 H 7.110 0.020 3 1719 155 155 TYR HE1 H 6.748 0.020 3 1720 155 155 TYR HE2 H 6.817 0.020 3 1721 155 155 TYR HH H 10.484 0.020 1 1722 155 155 TYR C C 177.144 0.3 1 1723 155 155 TYR CA C 60.738 0.3 1 1724 155 155 TYR CB C 41.402 0.3 1 1725 155 155 TYR CD1 C 138.472 0.3 1 1726 155 155 TYR CD2 C 139.644 0.3 1 1727 155 155 TYR CE1 C 118.550 0.3 1 1728 155 155 TYR CE2 C 119.429 0.3 1 1729 155 155 TYR CZ C 165.718 0.3 1 1730 155 155 TYR N N 120.074 0.3 1 1731 156 156 ASN H H 8.192 0.020 1 1732 156 156 ASN HB2 H 2.937 0.020 2 1733 156 156 ASN HB3 H 2.917 0.020 2 1734 156 156 ASN HD21 H 7.404 0.020 1 1735 156 156 ASN HD22 H 7.198 0.020 1 1736 156 156 ASN C C 175.679 0.3 1 1737 156 156 ASN CA C 53.121 0.3 1 1738 156 156 ASN CB C 38.179 0.3 1 1739 156 156 ASN N N 124.058 0.3 1 1740 156 156 ASN ND2 N 120.392 0.3 1 1741 157 157 PHE H H 7.429 0.020 1 1742 157 157 PHE HB2 H 3.186 0.020 2 1743 157 157 PHE HB3 H 3.280 0.020 2 1744 157 157 PHE HD1 H 7.022 0.020 3 1745 157 157 PHE HD2 H 7.091 0.020 3 1746 157 157 PHE HE1 H 7.159 0.020 3 1747 157 157 PHE HE2 H 7.188 0.020 3 1748 157 157 PHE HZ H 6.807 0.020 1 1749 157 157 PHE C C 174.221 0.3 1 1750 157 157 PHE CA C 57.507 0.3 1 1751 157 157 PHE CB C 39.353 0.3 1 1752 157 157 PHE CD1 C 133.197 0.3 1 1753 157 157 PHE CD2 C 133.783 0.3 1 1754 157 157 PHE CE1 C 130.267 0.3 1 1755 157 157 PHE CE2 C 131.732 0.3 1 1756 157 157 PHE CZ C 129.681 0.3 1 1757 157 157 PHE N N 123.459 0.3 1 1758 158 158 GLU H H 7.495 0.020 1 1759 158 158 GLU HB2 H 1.744 0.020 2 1760 158 158 GLU HB3 H 1.870 0.020 2 1761 158 158 GLU HG2 H 2.061 0.020 2 1762 158 158 GLU HG3 H 2.202 0.020 2 1763 158 158 GLU C C 176.566 0.3 1 1764 158 158 GLU CA C 72.147 0.3 1 1765 158 158 GLU CB C 27.640 0.3 1 1766 158 158 GLU N N 112.568 0.3 1 1767 159 159 LYS H H 6.862 0.020 1 1768 159 159 LYS HB2 H 1.790 0.020 2 1769 159 159 LYS HB3 H 1.892 0.020 2 1770 159 159 LYS HG2 H 1.180 0.020 2 1771 159 159 LYS HG3 H 1.258 0.020 2 1772 159 159 LYS HD2 H 1.422 0.020 2 1773 159 159 LYS HD3 H 1.555 0.020 2 1774 159 159 LYS HE2 H 2.906 0.020 2 1775 159 159 LYS C C 176.566 0.3 1 1776 159 159 LYS CA C 53.993 0.3 1 1777 159 159 LYS CB C 33.496 0.3 1 1778 159 159 LYS N N 113.232 0.3 1 1779 159 159 LYS NZ N 42.592 0.3 1 1780 160 160 PRO HB2 H 2.085 0.020 2 1781 160 160 PRO HB3 H 2.227 0.020 2 1782 160 160 PRO HG2 H 1.774 0.020 2 1783 160 160 PRO HG3 H 1.817 0.020 2 1784 160 160 PRO HD2 H 3.641 0.020 2 1785 160 160 PRO HD3 H 3.892 0.020 2 1786 160 160 PRO C C 176.273 0.3 1 1787 160 160 PRO CA C 64.258 0.3 1 1788 160 160 PRO CB C 32.318 0.3 1 1789 160 160 PRO N N 113.099 0.3 1 1790 161 161 PHE H H 8.215 0.020 1 1791 161 161 PHE HB2 H 2.827 0.020 2 1792 161 161 PHE HB3 H 2.927 0.020 2 1793 161 161 PHE HD1 H 7.188 0.020 3 1794 161 161 PHE HD2 H 7.032 0.020 3 1795 161 161 PHE HE1 H 7.775 0.020 3 1796 161 161 PHE HE2 H 7.345 0.020 3 1797 161 161 PHE HZ H 6.983 0.020 1 1798 161 161 PHE C C 176.851 0.3 1 1799 161 161 PHE CA C 60.445 0.3 1 1800 161 161 PHE CB C 40.816 0.3 1 1801 161 161 PHE CD1 C 136.422 0.3 1 1802 161 161 PHE CD2 C 132.027 0.3 1 1803 161 161 PHE CE1 C 130.855 0.3 1 1804 161 161 PHE CE2 C 129.390 0.3 1 1805 161 161 PHE CZ C 127.632 0.3 1 1806 161 161 PHE N N 123.726 0.3 1 1807 162 162 LEU H H 7.527 0.020 1 1808 162 162 LEU HB2 H 1.593 0.020 2 1809 162 162 LEU HB3 H 1.656 0.020 2 1810 162 162 LEU HD1 H 0.804 0.020 2 1811 162 162 LEU HD2 H 0.929 0.020 2 1812 162 162 LEU C C 176.273 0.3 1 1813 162 162 LEU CA C 55.750 0.3 1 1814 162 162 LEU CB C 44.037 0.3 1 1815 162 162 LEU CD1 C 22.648 0.3 1 1816 162 162 LEU CD2 C 24.113 0.3 1 1817 162 162 LEU N N 110.177 0.3 1 1818 163 163 TRP H H 7.476 0.020 1 1819 163 163 TRP HB2 H 2.991 0.020 2 1820 163 163 TRP HB3 H 3.233 0.020 2 1821 163 163 TRP HD1 H 7.188 0.020 1 1822 163 163 TRP HE1 H 10.024 0.020 1 1823 163 163 TRP HE3 H 7.335 0.020 1 1824 163 163 TRP HZ2 H 7.257 0.020 1 1825 163 163 TRP HZ3 H 6.827 0.020 1 1826 163 163 TRP HH2 H 6.924 0.020 1 1827 163 163 TRP C C 177.152 0.3 1 1828 163 163 TRP CA C 61.606 0.3 1 1829 163 163 TRP CB C 28.811 0.3 1 1830 163 163 TRP CD1 C 127.044 0.3 1 1831 163 163 TRP CD2 C 128.509 0.3 1 1832 163 163 TRP CE2 C 138.472 0.3 1 1833 163 163 TRP CE3 C 120.304 0.3 1 1834 163 163 TRP CZ2 C 114.443 0.3 1 1835 163 163 TRP CZ3 C 121.183 0.3 1 1836 163 163 TRP CH2 C 123.820 0.3 1 1837 163 163 TRP N N 123.525 0.3 1 1838 163 163 TRP NE1 N 132.993 0.3 1 1839 164 164 LEU H H 9.412 0.020 1 1840 164 164 LEU HB2 H 1.937 0.020 2 1841 164 164 LEU HB3 H 1.961 0.020 2 1842 164 164 LEU HD1 H 0.751 0.020 2 1843 164 164 LEU HD2 H 0.836 0.020 2 1844 164 164 LEU C C 175.686 0.3 1 1845 164 164 LEU CA C 61.020 0.3 1 1846 164 164 LEU CB C 45.794 0.3 1 1847 164 164 LEU CD1 C 22.941 0.3 1 1848 164 164 LEU CD2 C 23.527 0.3 1 1849 164 164 LEU N N 119.740 0.3 1 1850 165 165 ALA H H 7.707 0.020 1 1851 165 165 ALA HB H 1.241 0.020 1 1852 165 165 ALA C C 165.723 0.3 1 1853 165 165 ALA CA C 52.236 0.3 1 1854 165 165 ALA CB C 21.784 0.3 1 1855 165 165 ALA N N 118.013 0.3 1 1856 166 166 ARG H H 8.692 0.020 1 1857 166 166 ARG HB2 H 1.868 0.020 2 1858 166 166 ARG HB3 H 1.945 0.020 2 1859 166 166 ARG HG2 H 1.499 0.020 2 1860 166 166 ARG HG3 H 1.570 0.020 2 1861 166 166 ARG HD2 H 3.092 0.020 2 1862 166 166 ARG HD3 H 3.139 0.020 2 1863 166 166 ARG HH11 H 6.875 0.020 1 1864 166 166 ARG HH12 H 6.915 0.020 1 1865 166 166 ARG HH21 H 6.797 0.020 1 1866 166 166 ARG HH22 H 6.748 0.020 1 1867 166 166 ARG C C 175.979 0.3 1 1868 166 166 ARG CA C 49.308 0.3 1 1869 166 166 ARG CB C 29.397 0.3 1 1870 166 166 ARG CZ C 159.570 0.3 1 1871 166 166 ARG N N 122.994 0.3 1 1872 166 166 ARG NE N 89.393 0.3 1 1873 166 166 ARG NH1 N 77.392 0.3 1 1874 166 166 ARG NH2 N 77.827 0.3 1 1875 167 167 LYS H H 6.819 0.020 1 1876 167 167 LYS HB2 H 1.546 0.020 2 1877 167 167 LYS HB3 H 1.898 0.020 2 1878 167 167 LYS HG2 H 1.264 0.020 2 1879 167 167 LYS HG3 H 1.327 0.020 2 1880 167 167 LYS HD2 H 1.413 0.020 2 1881 167 167 LYS HD3 H 1.507 0.020 2 1882 167 167 LYS HE2 H 2.999 0.020 2 1883 167 167 LYS HE3 H 3.178 0.020 2 1884 167 167 LYS HZ H 7.316 0.020 1 1885 167 167 LYS C C 176.273 0.3 1 1886 167 167 LYS CA C 58.092 0.3 1 1887 167 167 LYS CB C 34.668 0.3 1 1888 167 167 LYS N N 112.568 0.3 1 1889 167 167 LYS NZ N 46.773 0.3 1 1890 168 168 LEU H H 7.269 0.020 1 1891 168 168 LEU HB2 H 1.413 0.020 2 1892 168 168 LEU HB3 H 1.929 0.020 2 1893 168 168 LEU HD1 H 0.939 0.020 2 1894 168 168 LEU HD2 H 0.993 0.020 2 1895 168 168 LEU C C 177.738 0.3 1 1896 168 168 LEU CA C 56.921 0.3 1 1897 168 168 LEU CB C 41.695 0.3 1 1898 168 168 LEU CD1 C 23.234 0.3 1 1899 168 168 LEU CD2 C 24.992 0.3 1 1900 168 168 LEU N N 114.959 0.3 1 1901 169 169 ILE H H 8.360 0.020 1 1902 169 169 ILE HB H 1.836 0.020 1 1903 169 169 ILE HG12 H 1.454 0.020 2 1904 169 169 ILE HG13 H 1.516 0.020 2 1905 169 169 ILE HG2 H 0.953 0.020 1 1906 169 169 ILE HD1 H 0.673 0.020 1 1907 169 169 ILE C C 177.445 0.3 1 1908 169 169 ILE CA C 63.375 0.3 1 1909 169 169 ILE CB C 42.281 0.3 1 1910 169 169 ILE CG1 C 29.390 0.3 1 1911 169 169 ILE CG2 C 20.015 0.3 1 1912 169 169 ILE CD1 C 17.672 0.3 1 1913 169 169 ILE N N 122.199 0.3 1 1914 170 170 GLY H H 6.686 0.020 1 1915 170 170 GLY HA2 H 4.022 0.020 2 1916 170 170 GLY HA3 H 3.822 0.020 2 1917 170 170 GLY C C 162.496 0.3 1 1918 170 170 GLY CA C 44.037 0.3 1 1919 170 170 GLY N N 113.099 0.3 1 1920 171 171 ASP H H 6.815 0.020 1 1921 171 171 ASP HB2 H 2.609 0.020 2 1922 171 171 ASP HB3 H 2.820 0.020 2 1923 171 171 ASP C C 178.910 0.3 1 1924 171 171 ASP CA C 50.479 0.3 1 1925 171 171 ASP CB C 41.109 0.3 1 1926 171 171 ASP N N 113.232 0.3 1 1927 172 172 PRO HB2 H 2.272 0.020 2 1928 172 172 PRO HB3 H 2.288 0.020 2 1929 172 172 PRO HG2 H 2.006 0.020 2 1930 172 172 PRO HG3 H 2.045 0.020 2 1931 172 172 PRO HD2 H 3.563 0.020 2 1932 172 172 PRO HD3 H 3.806 0.020 2 1933 172 172 PRO C C 176.566 0.3 1 1934 172 172 PRO CA C 63.965 0.3 1 1935 172 172 PRO CB C 31.732 0.3 1 1936 172 172 PRO N N 120.802 0.3 1 1937 173 173 ASN H H 8.016 0.020 1 1938 173 173 ASN HB2 H 2.468 0.020 2 1939 173 173 ASN HB3 H 2.546 0.020 2 1940 173 173 ASN HD21 H 7.208 0.020 1 1941 173 173 ASN HD22 H 7.188 0.020 1 1942 173 173 ASN C C 175.979 0.3 1 1943 173 173 ASN CA C 54.579 0.3 1 1944 173 173 ASN CB C 36.424 0.3 1 1945 173 173 ASN N N 109.779 0.3 1 1946 173 173 ASN ND2 N 113.295 0.3 1 1947 174 174 LEU H H 7.871 0.020 1 1948 174 174 LEU HB2 H 1.499 0.020 2 1949 174 174 LEU HB3 H 1.828 0.020 2 1950 174 174 LEU HD1 H 0.851 0.020 2 1951 174 174 LEU HD2 H 0.945 0.020 2 1952 174 174 LEU C C 176.566 0.3 1 1953 174 174 LEU CA C 56.336 0.3 1 1954 174 174 LEU CB C 44.037 0.3 1 1955 174 174 LEU CD1 C 22.355 0.3 1 1956 174 174 LEU CD2 C 22.941 0.3 1 1957 174 174 LEU N N 109.248 0.3 1 1958 175 175 GLU H H 9.127 0.020 1 1959 175 175 GLU HB2 H 1.969 0.020 2 1960 175 175 GLU HB3 H 1.837 0.020 2 1961 175 175 GLU HG2 H 2.219 0.020 2 1962 175 175 GLU HG3 H 2.282 0.020 2 1963 175 175 GLU C C 177.445 0.3 1 1964 175 175 GLU CA C 76.247 0.3 1 1965 175 175 GLU CB C 28.811 0.3 1 1966 175 175 GLU N N 125.185 0.3 1 1967 176 176 PHE H H 10.058 0.020 1 1968 176 176 PHE HB2 H 3.210 0.020 1 1969 176 176 PHE HB3 H 3.210 0.020 1 1970 176 176 PHE HD1 H 7.206 0.020 3 1971 176 176 PHE HD2 H 7.347 0.020 3 1972 176 176 PHE HE1 H 7.488 0.020 3 1973 176 176 PHE HE2 H 7.683 0.020 3 1974 176 176 PHE HZ H 7.801 0.020 1 1975 176 176 PHE C C 178.617 0.3 1 1976 176 176 PHE CA C 59.264 0.3 1 1977 176 176 PHE CB C 44.623 0.3 1 1978 176 176 PHE CD1 C 130.560 0.3 1 1979 176 176 PHE CD2 C 131.146 0.3 1 1980 176 176 PHE CE1 C 132.025 0.3 1 1981 176 176 PHE CE2 C 132.904 0.3 1 1982 176 176 PHE CZ C 134.369 0.3 1 1983 176 176 PHE N N 118.873 0.3 1 1984 177 177 VAL H H 7.789 0.020 1 1985 177 177 VAL HG1 H 0.877 0.020 2 1986 177 177 VAL HG2 H 0.924 0.020 2 1987 177 177 VAL C C 177.445 0.3 1 1988 177 177 VAL CA C 62.777 0.3 1 1989 177 177 VAL CB C 34.668 0.3 1 1990 177 177 VAL CG1 C 20.890 0.3 1 1991 177 177 VAL CG2 C 22.648 0.3 1 1992 177 177 VAL N N 118.877 0.3 1 1993 178 178 ALA H H 7.683 0.020 1 1994 178 178 ALA HB H 1.249 0.020 1 1995 178 178 ALA C C 177.144 0.3 1 1996 178 178 ALA CA C 54.000 0.3 1 1997 178 178 ALA CB C 15.035 0.3 1 1998 178 178 ALA N N 123.859 0.3 1 1999 179 179 MET H H 7.648 0.020 1 2000 179 179 MET HB2 H 2.016 0.020 2 2001 179 179 MET HB3 H 2.078 0.020 2 2002 179 179 MET HG2 H 2.477 0.020 2 2003 179 179 MET HG3 H 2.649 0.020 2 2004 179 179 MET HE H 1.699 0.020 1 2005 179 179 MET C C 177.144 0.3 1 2006 179 179 MET CA C 60.445 0.3 1 2007 179 179 MET CB C 39.351 0.3 1 2008 179 179 MET CE C 19.429 0.3 1 2009 179 179 MET N N 121.668 0.3 1 2010 180 180 PRO HB2 H 2.102 0.020 2 2011 180 180 PRO HB3 H 2.195 0.020 2 2012 180 180 PRO HG2 H 1.830 0.020 2 2013 180 180 PRO HG3 H 2.016 0.020 2 2014 180 180 PRO HD2 H 3.469 0.020 2 2015 180 180 PRO HD3 H 3.665 0.020 2 2016 180 180 PRO C C 177.445 0.3 1 2017 180 180 PRO CA C 64.844 0.3 1 2018 180 180 PRO CB C 29.974 0.3 1 2019 180 180 PRO N N 132.236 0.3 1 2020 181 181 ALA H H 8.673 0.020 1 2021 181 181 ALA HB H 1.225 0.020 1 2022 181 181 ALA C C 176.273 0.3 1 2023 181 181 ALA CA C 58.092 0.3 1 2024 181 181 ALA CB C 21.198 0.3 1 2025 181 181 ALA N N 128.439 0.3 1 2026 182 182 LEU H H 8.821 0.020 1 2027 182 182 LEU HB2 H 1.476 0.020 2 2028 182 182 LEU HB3 H 1.626 0.020 2 2029 182 182 LEU HD1 H 0.868 0.020 2 2030 182 182 LEU HD2 H 0.923 0.020 2 2031 182 182 LEU C C 177.445 0.3 1 2032 182 182 LEU CA C 55.164 0.3 1 2033 182 182 LEU CB C 42.866 0.3 1 2034 182 182 LEU CD1 C 24.113 0.3 1 2035 182 182 LEU CD2 C 24.699 0.3 1 2036 182 182 LEU N N 122.130 0.3 1 2037 183 183 ALA H H 8.356 0.020 1 2038 183 183 ALA HB H 4.163 0.020 1 2039 183 183 ALA C C 178.617 0.3 1 2040 183 183 ALA CA C 57.808 0.3 1 2041 183 183 ALA CB C 24.117 0.3 1 2042 183 183 ALA N N 121.004 0.3 1 2043 184 184 PRO HB2 H 2.163 0.020 2 2044 184 184 PRO HB3 H 2.237 0.020 2 2045 184 184 PRO HG2 H 1.992 0.020 2 2046 184 184 PRO HG3 H 2.006 0.020 2 2047 184 184 PRO HD2 H 3.870 0.020 2 2048 184 184 PRO HD3 H 3.893 0.020 2 2049 184 184 PRO C C 177.152 0.3 1 2050 184 184 PRO CA C 64.258 0.3 1 2051 184 184 PRO CB C 29.681 0.3 1 2052 184 184 PRO N N 117.482 0.3 1 2053 185 185 PRO HB2 H 2.233 0.020 2 2054 185 185 PRO HB3 H 2.272 0.020 2 2055 185 185 PRO HG2 H 1.843 0.020 2 2056 185 185 PRO HG3 H 1.932 0.020 2 2057 185 185 PRO HD2 H 3.695 0.020 2 2058 185 185 PRO HD3 H 3.836 0.020 2 2059 185 185 PRO C C 175.686 0.3 1 2060 185 185 PRO CA C 63.379 0.3 1 2061 185 185 PRO CB C 35.248 0.3 1 2062 185 185 PRO N N 116.220 0.3 1 2063 186 186 GLU H H 8.086 0.020 1 2064 186 186 GLU HB2 H 2.458 0.020 2 2065 186 186 GLU HB3 H 2.624 0.020 2 2066 186 186 GLU HG2 H 2.731 0.020 2 2067 186 186 GLU HG3 H 2.790 0.020 2 2068 186 186 GLU C C 176.273 0.3 1 2069 186 186 GLU CA C 58.101 0.3 1 2070 186 186 GLU CB C 35.836 0.3 1 2071 186 186 GLU CD C 198.609 0.3 1 2072 186 186 GLU N N 120.539 0.3 1 2073 187 187 VAL H H 8.622 0.020 1 2074 187 187 VAL HG1 H 0.914 0.020 2 2075 187 187 VAL HG2 H 0.961 0.020 2 2076 187 187 VAL C C 178.910 0.3 1 2077 187 187 VAL CA C 63.363 0.3 1 2078 187 187 VAL CB C 34.082 0.3 1 2079 187 187 VAL CG1 C 20.304 0.3 1 2080 187 187 VAL CG2 C 21.183 0.3 1 2081 187 187 VAL N N 124.455 0.3 1 2082 188 188 VAL H H 8.497 0.020 1 2083 188 188 VAL HG1 H 0.820 0.020 2 2084 188 188 VAL HG2 H 0.922 0.020 2 2085 188 188 VAL C C 178.324 0.3 1 2086 188 188 VAL CA C 68.634 0.3 1 2087 188 188 VAL CB C 31.154 0.3 1 2088 188 188 VAL CG1 C 21.476 0.3 1 2089 188 188 VAL CG2 C 22.648 0.3 1 2090 188 188 VAL N N 128.572 0.3 1 2091 189 189 MET H H 6.991 0.020 1 2092 189 189 MET HB2 H 1.992 0.020 2 2093 189 189 MET HB3 H 2.120 0.020 2 2094 189 189 MET HG2 H 2.202 0.020 2 2095 189 189 MET HG3 H 2.280 0.020 2 2096 189 189 MET C C 177.445 0.3 1 2097 189 189 MET CA C 55.164 0.3 1 2098 189 189 MET CB C 35.253 0.3 1 2099 189 189 MET N N 122.795 0.3 1 2100 190 190 ASP H H 7.210 0.020 1 2101 190 190 ASP HB2 H 2.485 0.020 2 2102 190 190 ASP HB3 H 2.587 0.020 2 2103 190 190 ASP C C 175.686 0.3 1 2104 190 190 ASP CA C 51.065 0.3 1 2105 190 190 ASP CB C 41.695 0.3 1 2106 190 190 ASP N N 114.959 0.3 1 2107 191 191 PRO HB2 H 2.361 0.020 2 2108 191 191 PRO HB3 H 2.444 0.020 2 2109 191 191 PRO HG2 H 1.900 0.020 2 2110 191 191 PRO HG3 H 1.923 0.020 2 2111 191 191 PRO HD2 H 3.530 0.020 2 2112 191 191 PRO HD3 H 3.836 0.020 2 2113 191 191 PRO C C 176.566 0.3 1 2114 191 191 PRO CA C 63.965 0.3 1 2115 191 191 PRO CB C 31.146 0.3 1 2116 191 191 PRO N N 121.400 0.3 1 2117 192 192 ALA H H 7.394 0.020 1 2118 192 192 ALA CA C 53.993 0.3 1 2119 192 192 ALA CB C 19.441 0.3 1 2120 192 192 ALA N N 129.513 0.3 1 2121 193 193 LEU H H 8.340 0.020 1 2122 193 193 LEU HB2 H 1.405 0.020 2 2123 193 193 LEU HB3 H 1.632 0.020 2 2124 193 193 LEU HD1 H 0.666 0.020 2 2125 193 193 LEU HD2 H 0.807 0.020 2 2126 193 193 LEU C C 175.979 0.3 1 2127 193 193 LEU CA C 56.336 0.3 1 2128 193 193 LEU CB C 42.866 0.3 1 2129 193 193 LEU CD1 C 23.820 0.3 1 2130 193 193 LEU CD2 C 24.699 0.3 1 2131 193 193 LEU N N 119.009 0.3 1 2132 194 194 ALA H H 8.176 0.020 1 2133 194 194 ALA HB H 1.249 0.020 1 2134 194 194 ALA C C 166.896 0.3 1 2135 194 194 ALA CA C 55.164 0.3 1 2136 194 194 ALA CB C 16.513 0.3 1 2137 194 194 ALA N N 121.666 0.3 1 2138 195 195 ALA H H 8.364 0.020 1 2139 195 195 ALA HB H 1.358 0.020 1 2140 195 195 ALA C C 173.928 0.3 1 2141 195 195 ALA CA C 57.507 0.3 1 2142 195 195 ALA CB C 19.441 0.3 1 2143 195 195 ALA N N 119.541 0.3 1 2144 196 196 GLN H H 7.910 0.020 1 2145 196 196 GLN HB2 H 1.907 0.020 2 2146 196 196 GLN HB3 H 1.923 0.020 2 2147 196 196 GLN HG2 H 2.108 0.020 2 2148 196 196 GLN HG3 H 2.319 0.020 2 2149 196 196 GLN HE21 H 7.245 0.020 1 2150 196 196 GLN HE22 H 7.042 0.020 1 2151 196 196 GLN C C 176.273 0.3 1 2152 196 196 GLN CA C 56.921 0.3 1 2153 196 196 GLN CB C 29.983 0.3 1 2154 196 196 GLN CD C 178.617 0.3 1 2155 196 196 GLN N N 117.322 0.3 1 2156 196 196 GLN NE2 N 119.200 0.3 1 2157 197 197 TYR H H 8.180 0.020 1 2158 197 197 TYR HB2 H 2.696 0.020 2 2159 197 197 TYR HB3 H 2.853 0.020 2 2160 197 197 TYR HD1 H 6.836 0.020 3 2161 197 197 TYR HD2 H 6.944 0.020 3 2162 197 197 TYR HE1 H 6.553 0.020 3 2163 197 197 TYR HE2 H 6.592 0.020 3 2164 197 197 TYR HH H 10.191 0.020 1 2165 197 197 TYR C C 178.316 0.3 1 2166 197 197 TYR CA C 56.343 0.3 1 2167 197 197 TYR CB C 43.453 0.3 1 2168 197 197 TYR CD1 C 135.250 0.3 1 2169 197 197 TYR CD2 C 136.129 0.3 1 2170 197 197 TYR CE1 C 121.187 0.3 1 2171 197 197 TYR CE2 C 122.652 0.3 1 2172 197 197 TYR CZ C 160.445 0.3 1 2173 197 197 TYR N N 119.277 0.3 1 2174 198 198 GLU H H 7.523 0.020 1 2175 198 198 GLU HB2 H 1.804 0.020 2 2176 198 198 GLU HB3 H 1.929 0.020 2 2177 198 198 GLU HG2 H 2.094 0.020 2 2178 198 198 GLU HG3 H 2.149 0.020 2 2179 198 198 GLU C C 176.273 0.3 1 2180 198 198 GLU CA C 53.407 0.3 1 2181 198 198 GLU CB C 30.568 0.3 1 2182 198 198 GLU N N 110.244 0.3 1 2183 199 199 HIS H H 8.258 0.020 1 2184 199 199 HIS HB2 H 4.280 0.020 2 2185 199 199 HIS HB3 H 4.351 0.020 2 2186 199 199 HIS HD1 H 11.470 0.020 1 2187 199 199 HIS HD2 H 7.229 0.020 1 2188 199 199 HIS HE1 H 7.902 0.020 1 2189 199 199 HIS HE2 H 12.445 0.020 1 2190 199 199 HIS C C 178.902 0.3 1 2191 199 199 HIS CA C 58.687 0.3 1 2192 199 199 HIS CB C 34.957 0.3 1 2193 199 199 HIS CD2 C 120.308 0.3 1 2194 199 199 HIS CE1 C 143.453 0.3 1 2195 199 199 HIS N N 119.211 0.3 1 2196 199 199 HIS ND1 N 198.293 0.3 1 2197 199 199 HIS NE2 N 183.292 0.3 1 2198 200 200 ASP H H 8.086 0.020 1 2199 200 200 ASP HB2 H 2.634 0.020 2 2200 200 200 ASP HB3 H 2.888 0.020 2 2201 200 200 ASP C C 176.705 0.3 1 2202 200 200 ASP CA C 58.687 0.3 1 2203 200 200 ASP CB C 39.644 0.3 1 2204 200 200 ASP N N 124.722 0.3 1 2205 201 201 LEU H H 7.722 0.020 1 2206 201 201 LEU HB2 H 1.790 0.020 2 2207 201 201 LEU HB3 H 1.907 0.020 2 2208 201 201 LEU HD1 H 0.771 0.020 2 2209 201 201 LEU HD2 H 1.000 0.020 2 2210 201 201 LEU C C 178.910 0.3 1 2211 201 201 LEU CA C 61.606 0.3 1 2212 201 201 LEU CB C 41.109 0.3 1 2213 201 201 LEU CD1 C 21.769 0.3 1 2214 201 201 LEU CD2 C 22.941 0.3 1 2215 201 201 LEU N N 116.353 0.3 1 2216 202 202 GLU H H 8.857 0.020 1 2217 202 202 GLU HB2 H 1.976 0.020 2 2218 202 202 GLU HB3 H 2.092 0.020 2 2219 202 202 GLU HG2 H 2.186 0.020 2 2220 202 202 GLU HG3 H 2.211 0.020 2 2221 202 202 GLU C C 176.566 0.3 1 2222 202 202 GLU CA C 56.921 0.3 1 2223 202 202 GLU CB C 30.568 0.3 1 2224 202 202 GLU N N 118.080 0.3 1 2225 203 203 VAL H H 9.283 0.020 1 2226 203 203 VAL HG1 H 0.870 0.020 2 2227 203 203 VAL HG2 H 0.890 0.020 2 2228 203 203 VAL C C 178.617 0.3 1 2229 203 203 VAL CA C 64.534 0.3 1 2230 203 203 VAL CB C 27.640 0.3 1 2231 203 203 VAL CG1 C 21.476 0.3 1 2232 203 203 VAL CG2 C 22.648 0.3 1 2233 203 203 VAL N N 129.369 0.3 1 2234 204 204 ALA H H 8.528 0.020 1 2235 204 204 ALA HB H 1.203 0.020 1 2236 204 204 ALA C C 176.859 0.3 1 2237 204 204 ALA CA C 54.579 0.3 1 2238 204 204 ALA CB C 18.270 0.3 1 2239 204 204 ALA N N 119.580 0.3 1 2240 205 205 GLN H H 8.160 0.020 1 2241 205 205 GLN HB2 H 2.256 0.020 2 2242 205 205 GLN HB3 H 2.373 0.020 2 2243 205 205 GLN HG2 H 2.370 0.020 2 2244 205 205 GLN HG3 H 2.634 0.020 2 2245 205 205 GLN HE21 H 7.345 0.020 1 2246 205 205 GLN HE22 H 7.775 0.020 1 2247 205 205 GLN C C 177.418 0.3 1 2248 205 205 GLN CA C 57.515 0.3 1 2249 205 205 GLN CB C 33.785 0.3 1 2250 205 205 GLN CD C 179.902 0.3 1 2251 205 205 GLN N N 123.328 0.3 1 2252 205 205 GLN NE2 N 128.392 0.3 1 2253 206 206 THR H H 7.585 0.020 1 2254 206 206 THR HG1 H 5.956 0.020 1 2255 206 206 THR HG2 H 1.227 0.020 1 2256 206 206 THR C C 176.273 0.3 1 2257 206 206 THR CA C 67.462 0.3 1 2258 206 206 THR CB C 70.390 0.3 1 2259 206 206 THR CG2 C 21.476 0.3 1 2260 206 206 THR N N 120.271 0.3 1 2261 207 207 THR H H 7.468 0.020 1 2262 207 207 THR HG1 H 5.986 0.020 1 2263 207 207 THR HG2 H 1.061 0.020 1 2264 207 207 THR C C 176.566 0.3 1 2265 207 207 THR CA C 64.534 0.3 1 2266 207 207 THR CB C 72.733 0.3 1 2267 207 207 THR CG2 C 20.597 0.3 1 2268 207 207 THR N N 111.970 0.3 1 2269 208 208 ALA H H 7.390 0.020 1 2270 208 208 ALA HB H 1.249 0.020 1 2271 208 208 ALA C C 168.947 0.3 1 2272 208 208 ALA CA C 55.164 0.3 1 2273 208 208 ALA CB C 22.369 0.3 1 2274 208 208 ALA N N 115.623 0.3 1 2275 209 209 LEU H H 7.652 0.020 1 2276 209 209 LEU HB2 H 1.658 0.020 2 2277 209 209 LEU HB3 H 1.776 0.020 2 2278 209 209 LEU HD1 H 0.907 0.020 2 2279 209 209 LEU HD2 H 0.939 0.020 2 2280 209 209 LEU C C 176.273 0.3 1 2281 209 209 LEU CA C 58.678 0.3 1 2282 209 209 LEU CB C 46.380 0.3 1 2283 209 209 LEU CD1 C 24.113 0.3 1 2284 209 209 LEU CD2 C 24.699 0.3 1 2285 209 209 LEU N N 117.814 0.3 1 2286 210 210 PRO HB2 H 1.868 0.020 2 2287 210 210 PRO HB3 H 1.939 0.020 2 2288 210 210 PRO HG2 H 1.618 0.020 2 2289 210 210 PRO HG3 H 1.696 0.020 2 2290 210 210 PRO HD2 H 3.718 0.020 2 2291 210 210 PRO HD3 H 3.836 0.020 2 2292 210 210 PRO C C 176.566 0.3 1 2293 210 210 PRO CA C 63.086 0.3 1 2294 210 210 PRO CB C 31.146 0.3 1 2295 210 210 PRO N N 113.896 0.3 1 2296 211 211 ASP H H 8.360 0.020 1 2297 211 211 ASP HB2 H 2.743 0.020 2 2298 211 211 ASP HB3 H 2.907 0.020 2 2299 211 211 ASP C C 175.686 0.3 1 2300 211 211 ASP CA C 56.343 0.3 1 2301 211 211 ASP CB C 41.402 0.3 1 2302 211 211 ASP N N 122.863 0.3 1 2303 212 212 GLU H H 8.399 0.020 1 2304 212 212 GLU HB2 H 1.920 0.020 2 2305 212 212 GLU HB3 H 1.960 0.020 2 2306 212 212 GLU HG2 H 2.250 0.020 2 2307 212 212 GLU HG3 H 2.270 0.020 2 2308 212 212 GLU C C 176.273 0.3 1 2309 212 212 GLU CA C 55.164 0.3 1 2310 212 212 GLU CB C 30.568 0.3 1 2311 212 212 GLU N N 131.162 0.3 1 2312 213 213 ASP H H 8.168 0.020 1 2313 213 213 ASP HB2 H 2.751 0.020 2 2314 213 213 ASP HB3 H 2.673 0.020 2 2315 213 213 ASP C C 177.152 0.3 1 2316 213 213 ASP CA C 61.914 0.3 1 2317 213 213 ASP CB C 49.607 0.3 1 2318 213 213 ASP N N 122.797 0.3 1 2319 214 214 ASP H H 7.464 0.020 1 2320 214 214 ASP HB2 H 2.437 0.020 2 2321 214 214 ASP HB3 H 2.554 0.020 2 2322 214 214 ASP C C 178.910 0.3 1 2323 214 214 ASP CA C 54.579 0.3 1 2324 214 214 ASP CB C 39.353 0.3 1 2325 214 214 ASP N N 112.369 0.3 1 2326 215 215 ASP H H 8.301 0.020 1 2327 215 215 ASP HB2 H 2.837 0.020 2 2328 215 215 ASP HB3 H 2.915 0.020 2 2329 215 215 ASP C C 176.859 0.3 1 2330 215 215 ASP CA C 54.579 0.3 1 2331 215 215 ASP CB C 40.524 0.3 1 2332 215 215 ASP N N 127.244 0.3 1 2333 216 216 LEU H H 8.555 0.020 1 2334 216 216 LEU HB2 H 1.532 0.020 2 2335 216 216 LEU HB3 H 1.860 0.020 2 2336 216 216 LEU HD1 H 1.742 0.020 2 2337 216 216 LEU HD2 H 1.843 0.020 2 2338 216 216 LEU C C 176.273 0.3 1 2339 216 216 LEU CA C 56.336 0.3 1 2340 216 216 LEU CB C 43.452 0.3 1 2341 216 216 LEU CD1 C 24.406 0.3 1 2342 216 216 LEU CD2 C 24.992 0.3 1 2343 216 216 LEU N N 114.361 0.3 1 stop_ save_