data_19852 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NUCLEOTIDE-FREE HUMAN RAN GTPASE ; _BMRB_accession_number 19852 _BMRB_flat_file_name bmr19852.str _Entry_type original _Submission_date 2014-03-13 _Accession_date 2014-03-13 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'THE SOLUTION STRUCTURE AND DYNAMICS OF NUCLEOTIDE-FREE HUMAN RAN GTPASE DETERMINED BY HETERONUCLEAR THREE DIMENSIONAL NMR' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bacot-Davis Valjean R. . 2 Palmenberg Ann C. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1137 "13C chemical shifts" 874 "15N chemical shifts" 294 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-10-20 original author . stop_ _Original_release_date 2014-10-20 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Nuclear Magnetic Resonance Structure of Ran GTPase Determines C-terminal Tail Conformational Dynamics.' _Citation_status 'in preparation' _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 Palmenberg Ann C. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _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 . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'NUCLEOTIDE-FREE HUMAN 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_label 1 MET 2 ALA 3 ALA 4 GLN 5 GLY 6 GLU 7 PRO 8 GLN 9 VAL 10 GLN 11 PHE 12 LYS 13 LEU 14 VAL 15 LEU 16 VAL 17 GLY 18 ASP 19 GLY 20 GLY 21 THR 22 GLY 23 LYS 24 THR 25 THR 26 PHE 27 VAL 28 LYS 29 ARG 30 HIS 31 LEU 32 THR 33 GLY 34 GLU 35 PHE 36 GLU 37 LYS 38 LYS 39 TYR 40 VAL 41 ALA 42 THR 43 LEU 44 GLY 45 VAL 46 GLU 47 VAL 48 HIS 49 PRO 50 LEU 51 VAL 52 PHE 53 HIS 54 THR 55 ASN 56 ARG 57 GLY 58 PRO 59 ILE 60 LYS 61 PHE 62 ASN 63 VAL 64 TRP 65 ASP 66 THR 67 ALA 68 GLY 69 GLN 70 GLU 71 LYS 72 PHE 73 GLY 74 GLY 75 LEU 76 ARG 77 ASP 78 GLY 79 TYR 80 TYR 81 ILE 82 GLN 83 ALA 84 GLN 85 CYS 86 ALA 87 ILE 88 ILE 89 MET 90 PHE 91 ASP 92 VAL 93 THR 94 SER 95 ARG 96 VAL 97 THR 98 TYR 99 LYS 100 ASN 101 VAL 102 PRO 103 ASN 104 TRP 105 HIS 106 ARG 107 ASP 108 LEU 109 VAL 110 ARG 111 VAL 112 CYS 113 GLU 114 ASN 115 ILE 116 PRO 117 ILE 118 VAL 119 LEU 120 CYS 121 GLY 122 ASN 123 LYS 124 VAL 125 ASP 126 ILE 127 LYS 128 ASP 129 ARG 130 LYS 131 VAL 132 LYS 133 ALA 134 LYS 135 SER 136 ILE 137 VAL 138 PHE 139 HIS 140 ARG 141 LYS 142 LYS 143 ASN 144 LEU 145 GLN 146 TYR 147 TYR 148 ASP 149 ILE 150 SER 151 ALA 152 LYS 153 SER 154 ASN 155 TYR 156 ASN 157 PHE 158 GLU 159 LYS 160 PRO 161 PHE 162 LEU 163 TRP 164 LEU 165 ALA 166 ARG 167 LYS 168 LEU 169 ILE 170 GLY 171 ASP 172 PRO 173 ASN 174 LEU 175 GLU 176 PHE 177 VAL 178 ALA 179 MET 180 PRO 181 ALA 182 LEU 183 ALA 184 PRO 185 PRO 186 GLU 187 VAL 188 VAL 189 MET 190 ASP 191 PRO 192 ALA 193 LEU 194 ALA 195 ALA 196 GLN 197 TYR 198 GLU 199 HIS 200 ASP 201 LEU 202 GLU 203 VAL 204 ALA 205 GLN 206 THR 207 THR 208 ALA 209 LEU 210 PRO 211 ASP 212 GLU 213 ASP 214 ASP 215 ASP 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 19854 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 _Details $entity Human 9606 Eukaryota Metazoa Homo sapiens 'RAN GTPASE' 'NUCLEOCYTOPLASMIC TRANSPORT PROTEIN' 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 'RECOMBINANT HEXA-HISTIDINE WILD-TYPE HUMAN RAN GTPASE' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_RAN_GTPASE _Saveframe_category sample _Sample_type solution _Details '0.5mM [U 15N, U 13C]-Ran GTPase. 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]' D2O 10 % '[U-100% 2H]' HEPES 20 mM 'natural abundance' DTT 2 mM 'natural abundance' 'sodium azide' 0.04 % 'natural abundance' 'potassium chloride' 100 mM 'natural abundance' 'magnesium chloride' 2 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ 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_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARTA+ _Saveframe_category software _Name SPARTA+ _Version . loop_ _Vendor _Address _Electronic_address 'Shen 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_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Kurt W thrich, Swiss Federal Institute of Technology ETH' . . stop_ loop_ _Task 'chemical shift assignment' 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 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'Bruker AVIII-600 MHz Avance console. Dexter.' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $RAN_GTPASE save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $RAN_GTPASE save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $RAN_GTPASE save_ save_3D_HBHA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $RAN_GTPASE save_ save_3D_C(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $RAN_GTPASE save_ save_3D_H(CCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $RAN_GTPASE save_ save_2D_1H-1H_TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $RAN_GTPASE save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $RAN_GTPASE save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $RAN_GTPASE save_ save_3D_HNCACB_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $RAN_GTPASE save_ save_31P_NMR_11 _Saveframe_category NMR_applied_experiment _Experiment_name '31P NMR' _Sample_label $RAN_GTPASE save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 298 . K pH 7.4 . pH pressure 1 . atm 'ionic strength' 102 . mM stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 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_ _Software_label $NMRPipe $SPARKY $TALOS $SPARTA+ $TOPSPIN $CARA $NMRDraw stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HBHA(CO)NH' '3D C(CO)NH' '3D H(CCO)NH' '2D 1H-1H TOCSY' '3D 1H-13C NOESY' '3D 1H-15N NOESY' '3D HNCACB' '31P NMR' stop_ loop_ _Sample_label $RAN_GTPASE 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 H H 8.113 0.020 1 2 1 1 MET HB2 H 1.862 0.020 2 3 1 1 MET HB3 H 1.993 0.020 2 4 1 1 MET HG2 H 2.253 0.020 2 5 1 1 MET HG3 H 2.386 0.020 2 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 8.415 0.020 1 110 12 12 LYS HB2 H 1.837 0.020 2 111 12 12 LYS HB3 H 1.892 0.020 2 112 12 12 LYS HZ H 7.433 0.020 1 113 12 12 LYS C C 177.152 0.3 1 114 12 12 LYS CA C 57.507 0.3 1 115 12 12 LYS CB C 28.811 0.3 1 116 12 12 LYS N N 124.123 0.3 1 117 12 12 LYS NZ N 49.231 0.3 1 118 13 13 LEU H H 6.905 0.020 1 119 13 13 LEU HB2 H 1.829 0.020 2 120 13 13 LEU HB3 H 1.945 0.020 2 121 13 13 LEU HD1 H 1.704 0.020 2 122 13 13 LEU HD2 H 1.978 0.020 2 123 13 13 LEU C C 177.738 0.3 1 124 13 13 LEU CA C 54.579 0.3 1 125 13 13 LEU CB C 42.866 0.3 1 126 13 13 LEU CD1 C 22.062 0.3 1 127 13 13 LEU CD2 C 22.941 0.3 1 128 13 13 LEU N N 112.103 0.3 1 129 14 14 VAL H H 8.305 0.020 1 130 14 14 VAL HG1 H 0.820 0.020 2 131 14 14 VAL HG2 H 0.931 0.020 2 132 14 14 VAL C C 175.393 0.3 1 133 14 14 VAL CA C 70.976 0.3 1 134 14 14 VAL CB C 28.811 0.3 1 135 14 14 VAL CG1 C 21.183 0.3 1 136 14 14 VAL CG2 C 22.062 0.3 1 137 14 14 VAL N N 127.310 0.3 1 138 15 15 LEU H H 7.785 0.020 1 139 15 15 LEU HB2 H 1.327 0.020 2 140 15 15 LEU HB3 H 1.570 0.020 2 141 15 15 LEU HD1 H 0.742 0.020 2 142 15 15 LEU HD2 H 0.820 0.020 2 143 15 15 LEU C C 173.342 0.3 1 144 15 15 LEU CA C 56.336 0.3 1 145 15 15 LEU CB C 41.695 0.3 1 146 15 15 LEU CD1 C 24.113 0.3 1 147 15 15 LEU CD2 C 24.992 0.3 1 148 15 15 LEU N N 121.400 0.3 1 149 16 16 VAL H H 8.935 0.020 1 150 16 16 VAL HG1 H 0.820 0.020 2 151 16 16 VAL HG2 H 0.945 0.020 2 152 16 16 VAL C C 178.324 0.3 1 153 16 16 VAL CA C 63.363 0.3 1 154 16 16 VAL CB C 35.839 0.3 1 155 16 16 VAL CG1 C 20.304 0.3 1 156 16 16 VAL CG2 C 20.890 0.3 1 157 16 16 VAL N N 121.267 0.3 1 158 17 17 GLY H H 9.682 0.020 1 159 17 17 GLY HA2 H 3.991 0.020 2 160 17 17 GLY HA3 H 4.171 0.020 2 161 17 17 GLY C C 174.514 0.3 1 162 17 17 GLY CA C 42.281 0.3 1 163 17 17 GLY N N 127.908 0.3 1 164 18 18 ASP H H 7.879 0.020 1 165 18 18 ASP HB2 H 2.888 0.020 2 166 18 18 ASP HB3 H 2.901 0.020 2 167 18 18 ASP C C 176.859 0.3 1 168 18 18 ASP CA C 55.750 0.3 1 169 18 18 ASP CB C 39.938 0.3 1 170 18 18 ASP N N 119.673 0.3 1 171 19 19 GLY H H 8.825 0.020 1 172 19 19 GLY HA2 H 4.171 0.020 2 173 19 19 GLY HA3 H 3.976 0.020 2 174 19 19 GLY C C 178.324 0.3 1 175 19 19 GLY CA C 42.281 0.3 1 176 19 19 GLY N N 120.670 0.3 1 177 20 20 GLY H H 8.477 0.020 1 178 20 20 GLY HA2 H 4.069 0.020 1 179 20 20 GLY HA3 H 4.069 0.020 1 180 20 20 GLY C C 174.221 0.3 1 181 20 20 GLY CA C 41.695 0.3 1 182 20 20 GLY N N 129.369 0.3 1 183 21 21 THR H H 8.196 0.020 1 184 21 21 THR HG1 H 6.377 0.020 1 185 21 21 THR HG2 H 1.155 0.020 1 186 21 21 THR C C 178.617 0.3 1 187 21 21 THR CA C 62.192 0.3 1 188 21 21 THR CB C 70.390 0.3 1 189 21 21 THR CG2 C 21.183 0.3 1 190 21 21 THR N N 114.560 0.3 1 191 22 22 GLY H H 6.772 0.020 1 192 22 22 GLY HA2 H 3.999 0.020 2 193 22 22 GLY HA3 H 4.178 0.020 2 194 22 22 GLY C C 184.807 0.3 1 195 22 22 GLY CA C 45.209 0.3 1 196 22 22 GLY N N 112.369 0.3 1 197 23 23 LYS H H 8.180 0.020 1 198 23 23 LYS HB2 H 1.807 0.020 2 199 23 23 LYS HB3 H 1.979 0.020 2 200 23 23 LYS HG2 H 1.147 0.020 2 201 23 23 LYS HG3 H 1.172 0.020 2 202 23 23 LYS HD2 H 1.366 0.020 2 203 23 23 LYS HD3 H 1.507 0.020 2 204 23 23 LYS HE2 H 3.053 0.020 2 205 23 23 LYS HE3 H 3.108 0.020 2 206 23 23 LYS HZ H 7.433 0.020 1 207 23 23 LYS C C 176.566 0.3 1 208 23 23 LYS CA C 56.921 0.3 1 209 23 23 LYS CB C 35.839 0.3 1 210 23 23 LYS N N 124.056 0.3 1 211 23 23 LYS NZ N 30.294 0.3 1 212 24 24 THR H H 8.469 0.020 1 213 24 24 THR HG1 H 5.907 0.020 1 214 24 24 THR HG2 H 1.210 0.020 1 215 24 24 THR C C 178.324 0.3 1 216 24 24 THR CA C 62.192 0.3 1 217 24 24 THR CB C 71.562 0.3 1 218 24 24 THR CG2 C 21.476 0.3 1 219 24 24 THR N N 114.627 0.3 1 220 25 25 THR H H 8.415 0.020 1 221 25 25 THR HG1 H 5.389 0.020 1 222 25 25 THR HG2 H 1.235 0.020 1 223 25 25 THR C C 178.324 0.3 1 224 25 25 THR CA C 64.534 0.3 1 225 25 25 THR CB C 71.562 0.3 1 226 25 25 THR CG2 C 21.769 0.3 1 227 25 25 THR N N 110.377 0.3 1 228 26 26 PHE H H 7.707 0.020 1 229 26 26 PHE HB2 H 2.999 0.020 2 230 26 26 PHE HB3 H 3.045 0.020 2 231 26 26 PHE HD1 H 7.022 0.020 3 232 26 26 PHE HD2 H 7.052 0.020 3 233 26 26 PHE HE1 H 7.110 0.020 3 234 26 26 PHE HE2 H 7.140 0.020 3 235 26 26 PHE HZ H 6.993 0.020 1 236 26 26 PHE C C 174.514 0.3 1 237 26 26 PHE CA C 53.407 0.3 1 238 26 26 PHE CB C 40.524 0.3 1 239 26 26 PHE CD1 C 132.025 0.3 1 240 26 26 PHE CD2 C 132.611 0.3 1 241 26 26 PHE CE1 C 130.560 0.3 1 242 26 26 PHE CE2 C 131.439 0.3 1 243 26 26 PHE CZ C 129.974 0.3 1 244 26 26 PHE N N 114.295 0.3 1 245 27 27 VAL H H 6.987 0.020 1 246 27 27 VAL HG1 H 0.742 0.020 2 247 27 27 VAL HG2 H 0.836 0.020 2 248 27 27 VAL C C 178.031 0.3 1 249 27 27 VAL CA C 67.462 0.3 1 250 27 27 VAL CB C 29.397 0.3 1 251 27 27 VAL CG1 C 20.304 0.3 1 252 27 27 VAL CG2 C 20.890 0.3 1 253 27 27 VAL N N 123.525 0.3 1 254 28 28 LYS H H 7.429 0.020 1 255 28 28 LYS HB2 H 1.767 0.020 2 256 28 28 LYS HB3 H 1.798 0.020 2 257 28 28 LYS HG2 H 1.203 0.020 2 258 28 28 LYS HG3 H 1.227 0.020 2 259 28 28 LYS HD2 H 1.547 0.020 2 260 28 28 LYS HD3 H 1.563 0.020 2 261 28 28 LYS HE2 H 3.030 0.020 2 262 28 28 LYS HE3 H 3.077 0.020 2 263 28 28 LYS HZ H 7.501 0.020 1 264 28 28 LYS C C 176.566 0.3 1 265 28 28 LYS CA C 58.092 0.3 1 266 28 28 LYS CB C 34.082 0.3 1 267 28 28 LYS N N 114.228 0.3 1 268 28 28 LYS NZ N 39.203 0.3 1 269 29 29 ARG H H 6.803 0.020 1 270 29 29 ARG HB2 H 1.679 0.020 2 271 29 29 ARG HB3 H 1.713 0.020 2 272 29 29 ARG HG2 H 1.421 0.020 2 273 29 29 ARG HG3 H 1.538 0.020 2 274 29 29 ARG HD2 H 3.045 0.020 2 275 29 29 ARG HD3 H 3.111 0.020 2 276 29 29 ARG HE H 7.472 0.020 1 277 29 29 ARG HH11 H 6.768 0.020 1 278 29 29 ARG HH12 H 6.915 0.020 1 279 29 29 ARG HH21 H 6.690 0.020 1 280 29 29 ARG HH22 H 6.621 0.020 1 281 29 29 ARG C C 174.221 0.3 1 282 29 29 ARG CA C 72.147 0.3 1 283 29 29 ARG CB C 37.596 0.3 1 284 29 29 ARG CZ C 161.621 0.3 1 285 29 29 ARG N N 112.037 0.3 1 286 29 29 ARG NE N 93.291 0.3 1 287 29 29 ARG NH1 N 79.302 0.3 1 288 29 29 ARG NH2 N 79.392 0.3 1 289 30 30 HIS H H 7.644 0.020 1 290 30 30 HIS HB2 H 3.178 0.020 2 291 30 30 HIS HB3 H 3.296 0.020 2 292 30 30 HIS HD1 H 10.269 0.020 1 293 30 30 HIS HD2 H 7.228 0.020 1 294 30 30 HIS HE1 H 7.814 0.020 1 295 30 30 HIS HE2 H 11.376 0.020 1 296 30 30 HIS C C 172.170 0.3 1 297 30 30 HIS CA C 51.651 0.3 1 298 30 30 HIS CB C 30.568 0.3 1 299 30 30 HIS CD2 C 117.374 0.3 1 300 30 30 HIS CE1 C 139.351 0.3 1 301 30 30 HIS N N 122.396 0.3 1 302 30 30 HIS ND1 N 194.294 0.3 1 303 30 30 HIS NE2 N 177.332 0.3 1 304 31 31 LEU H H 7.894 0.020 1 305 31 31 LEU HB2 H 1.382 0.020 2 306 31 31 LEU HB3 H 1.562 0.020 2 307 31 31 LEU HD1 H 0.815 0.020 2 308 31 31 LEU HD2 H 0.971 0.020 2 309 31 31 LEU C C 178.031 0.3 1 310 31 31 LEU CA C 55.164 0.3 1 311 31 31 LEU CB C 42.281 0.3 1 312 31 31 LEU CD1 C 22.062 0.3 1 313 31 31 LEU CD2 C 22.941 0.3 1 314 31 31 LEU N N 110.377 0.3 1 315 32 32 THR H H 7.570 0.020 1 316 32 32 THR HG1 H 5.712 0.020 1 317 32 32 THR HG2 H 1.155 0.020 1 318 32 32 THR C C 178.910 0.3 1 319 32 32 THR CA C 63.949 0.3 1 320 32 32 THR CB C 72.733 0.3 1 321 32 32 THR CG2 C 21.769 0.3 1 322 32 32 THR N N 118.213 0.3 1 323 33 33 GLY H H 9.662 0.020 1 324 33 33 GLY HA2 H 3.991 0.020 2 325 33 33 GLY HA3 H 4.171 0.020 2 326 33 33 GLY C C 161.914 0.3 1 327 33 33 GLY CA C 42.866 0.3 1 328 33 33 GLY N N 127.841 0.3 1 329 34 34 GLU H H 7.140 0.020 1 330 34 34 GLU HB2 H 2.022 0.020 2 331 34 34 GLU HB3 H 2.085 0.020 2 332 34 34 GLU HG2 H 2.163 0.020 2 333 34 34 GLU HG3 H 2.133 0.020 2 334 34 34 GLU C C 176.859 0.3 1 335 34 34 GLU CA C 51.651 0.3 1 336 34 34 GLU CB C 29.397 0.3 1 337 34 34 GLU N N 122.263 0.3 1 338 35 35 PHE H H 6.772 0.020 1 339 35 35 PHE HB2 H 2.993 0.020 2 340 35 35 PHE HB3 H 3.095 0.020 2 341 35 35 PHE HD1 H 7.061 0.020 3 342 35 35 PHE HD2 H 7.022 0.020 3 343 35 35 PHE HE1 H 7.100 0.020 3 344 35 35 PHE HE2 H 7.081 0.020 3 345 35 35 PHE HZ H 6.924 0.020 1 346 35 35 PHE C C 174.221 0.3 1 347 35 35 PHE CA C 49.308 0.3 1 348 35 35 PHE CB C 41.695 0.3 1 349 35 35 PHE CD1 C 133.783 0.3 1 350 35 35 PHE CD2 C 132.611 0.3 1 351 35 35 PHE CE1 C 131.732 0.3 1 352 35 35 PHE CE2 C 130.853 0.3 1 353 35 35 PHE CZ C 129.681 0.3 1 354 35 35 PHE N N 111.838 0.3 1 355 36 36 GLU H H 7.734 0.020 1 356 36 36 GLU HB2 H 2.186 0.020 2 357 36 36 GLU HB3 H 2.225 0.020 2 358 36 36 GLU HG2 H 2.311 0.020 2 359 36 36 GLU HG3 H 2.390 0.020 2 360 36 36 GLU C C 176.859 0.3 1 361 36 36 GLU CA C 58.092 0.3 1 362 36 36 GLU CB C 30.568 0.3 1 363 36 36 GLU N N 124.388 0.3 1 364 37 37 LYS H H 8.509 0.020 1 365 37 37 LYS HB2 H 1.801 0.020 2 366 37 37 LYS HB3 H 1.932 0.020 2 367 37 37 LYS HG2 H 1.296 0.020 2 368 37 37 LYS HG3 H 1.374 0.020 2 369 37 37 LYS HD2 H 1.570 0.020 2 370 37 37 LYS HD3 H 1.656 0.020 2 371 37 37 LYS HE2 H 2.929 0.020 2 372 37 37 LYS HE3 H 3.036 0.020 2 373 37 37 LYS HZ H 7.247 0.020 1 374 37 37 LYS C C 172.756 0.3 1 375 37 37 LYS CA C 48.137 0.3 1 376 37 37 LYS CB C 37.010 0.3 1 377 37 37 LYS N N 118.810 0.3 1 378 37 37 LYS NZ N 53.201 0.3 1 379 38 38 LYS H H 7.715 0.020 1 380 38 38 LYS HB2 H 1.828 0.020 2 381 38 38 LYS HB3 H 1.945 0.020 2 382 38 38 LYS HG2 H 1.210 0.020 2 383 38 38 LYS HG3 H 1.405 0.020 2 384 38 38 LYS HD2 H 1.476 0.020 2 385 38 38 LYS HD3 H 1.601 0.020 2 386 38 38 LYS HE2 H 2.991 0.020 2 387 38 38 LYS HE3 H 3.124 0.020 2 388 38 38 LYS HZ H 7.364 0.020 1 389 38 38 LYS C C 176.273 0.3 1 390 38 38 LYS CA C 59.849 0.3 1 391 38 38 LYS CB C 34.668 0.3 1 392 38 38 LYS CD C 29.095 0.3 1 393 38 38 LYS CE C 41.695 0.3 1 394 38 38 LYS N N 108.052 0.3 1 395 38 38 LYS NZ N 52.396 0.3 1 396 39 39 TYR H H 7.362 0.020 1 397 39 39 TYR HB2 H 2.984 0.020 2 398 39 39 TYR HB3 H 3.117 0.020 2 399 39 39 TYR HD1 H 6.895 0.020 3 400 39 39 TYR HD2 H 6.924 0.020 3 401 39 39 TYR HE1 H 6.641 0.020 3 402 39 39 TYR HE2 H 6.670 0.020 3 403 39 39 TYR HH H 9.193 0.020 1 404 39 39 TYR C C 175.686 0.3 1 405 39 39 TYR CA C 61.020 0.3 1 406 39 39 TYR CB C 36.424 0.3 1 407 39 39 TYR CD1 C 131.146 0.3 1 408 39 39 TYR CD2 C 133.197 0.3 1 409 39 39 TYR CE1 C 117.374 0.3 1 410 39 39 TYR CE2 C 118.546 0.3 1 411 39 39 TYR CZ C 155.174 0.3 1 412 39 39 TYR N N 108.650 0.3 1 413 40 40 VAL H H 8.442 0.020 1 414 40 40 VAL HG1 H 0.813 0.020 2 415 40 40 VAL HG2 H 0.946 0.020 2 416 40 40 VAL C C 175.393 0.3 1 417 40 40 VAL CA C 61.020 0.3 1 418 40 40 VAL CB C 31.154 0.3 1 419 40 40 VAL CG1 C 20.011 0.3 1 420 40 40 VAL CG2 C 21.183 0.3 1 421 40 40 VAL N N 117.947 0.3 1 422 42 42 THR H H 8.192 0.020 1 423 42 42 THR HG1 H 5.311 0.020 1 424 42 42 THR HG2 H 1.045 0.020 1 425 42 42 THR C C 178.910 0.3 1 426 42 42 THR CA C 60.435 0.3 1 427 42 42 THR CB C 70.390 0.3 1 428 42 42 THR CG2 C 21.769 0.3 1 429 42 42 THR N N 117.150 0.3 1 430 43 43 LEU H H 9.260 0.020 1 431 43 43 LEU HB2 H 1.407 0.020 2 432 43 43 LEU HB3 H 1.727 0.020 2 433 43 43 LEU HD1 H 0.774 0.020 2 434 43 43 LEU HD2 H 0.853 0.020 2 435 43 43 LEU C C 174.807 0.3 1 436 43 43 LEU CA C 57.507 0.3 1 437 43 43 LEU CB C 42.866 0.3 1 438 43 43 LEU CD1 C 22.062 0.3 1 439 43 43 LEU CD2 C 22.941 0.3 1 440 43 43 LEU N N 119.209 0.3 1 441 44 44 GLY H H 6.979 0.020 1 442 44 44 GLY HA2 H 4.045 0.020 2 443 44 44 GLY HA3 H 4.108 0.020 2 444 44 44 GLY C C 178.910 0.3 1 445 44 44 GLY CA C 54.579 0.3 1 446 44 44 GLY N N 114.361 0.3 1 447 45 45 VAL H H 8.309 0.020 1 448 45 45 VAL HG1 H 0.876 0.020 2 449 45 45 VAL HG2 H 0.970 0.020 2 450 45 45 VAL C C 174.807 0.3 1 451 45 45 VAL CA C 63.363 0.3 1 452 45 45 VAL CB C 17.099 0.3 1 453 45 45 VAL CG1 C 20.011 0.3 1 454 45 45 VAL CG2 C 20.597 0.3 1 455 45 45 VAL N N 110.244 0.3 1 456 46 46 GLU H H 9.741 0.020 1 457 46 46 GLU HB2 H 1.920 0.020 2 458 46 46 GLU HB3 H 1.950 0.020 2 459 46 46 GLU HG2 H 2.150 0.020 2 460 46 46 GLU HG3 H 2.180 0.020 2 461 46 46 GLU C C 176.859 0.3 1 462 46 46 GLU CA C 55.164 0.3 1 463 46 46 GLU CB C 32.325 0.3 1 464 46 46 GLU N N 130.365 0.3 1 465 47 47 VAL H H 7.339 0.020 1 466 47 47 VAL HG1 H 0.634 0.020 2 467 47 47 VAL HG2 H 0.868 0.020 2 468 47 47 VAL C C 178.324 0.3 1 469 47 47 VAL CA C 63.363 0.3 1 470 47 47 VAL CB C 32.911 0.3 1 471 47 47 VAL CG1 C 20.011 0.3 1 472 47 47 VAL CG2 C 20.890 0.3 1 473 47 47 VAL N N 115.623 0.3 1 474 48 48 HIS H H 10.390 0.020 1 475 48 48 HIS HB2 H 3.020 0.020 2 476 48 48 HIS HB3 H 3.092 0.020 2 477 48 48 HIS HD1 H 10.435 0.020 1 478 48 48 HIS HD2 H 7.179 0.020 1 479 48 48 HIS HE1 H 7.971 0.020 1 480 48 48 HIS HE2 H 11.298 0.020 1 481 48 48 HIS C C 169.240 0.3 1 482 48 48 HIS CA C 49.894 0.3 1 483 48 48 HIS CB C 27.640 0.3 1 484 48 48 HIS CD2 C 120.011 0.3 1 485 48 48 HIS CE1 C 139.351 0.3 1 486 48 48 HIS N N 129.236 0.3 1 487 48 48 HIS ND1 N 194.229 0.3 1 488 48 48 HIS NE2 N 178.938 0.3 1 489 49 49 PRO HB2 H 2.155 0.020 2 490 49 49 PRO HB3 H 2.335 0.020 2 491 49 49 PRO HG2 H 2.006 0.020 2 492 49 49 PRO HG3 H 2.172 0.020 2 493 49 49 PRO HD2 H 3.820 0.020 2 494 49 49 PRO HD3 H 3.836 0.020 2 495 49 49 PRO C C 176.273 0.3 1 496 49 49 PRO CA C 62.500 0.3 1 497 49 49 PRO CB C 29.974 0.3 1 498 49 49 PRO N N 123.193 0.3 1 499 50 50 LEU H H 7.492 0.020 1 500 50 50 LEU HB2 H 1.673 0.020 2 501 50 50 LEU HB3 H 1.860 0.020 2 502 50 50 LEU HD1 H 0.507 0.020 2 503 50 50 LEU HD2 H 0.820 0.020 2 504 50 50 LEU C C 177.445 0.3 1 505 50 50 LEU CA C 59.264 0.3 1 506 50 50 LEU CB C 42.281 0.3 1 507 50 50 LEU CD1 C 24.406 0.3 1 508 50 50 LEU CD2 C 24.992 0.3 1 509 50 50 LEU N N 119.408 0.3 1 510 51 51 VAL H H 7.715 0.020 1 511 51 51 VAL HG1 H 0.876 0.020 2 512 51 51 VAL HG2 H 0.907 0.020 2 513 51 51 VAL C C 174.514 0.3 1 514 51 51 VAL CA C 64.534 0.3 1 515 51 51 VAL CB C 37.010 0.3 1 516 51 51 VAL CG1 C 20.011 0.3 1 517 51 51 VAL CG2 C 20.890 0.3 1 518 51 51 VAL N N 117.947 0.3 1 519 52 52 PHE H H 8.935 0.020 1 520 52 52 PHE HB2 H 3.085 0.020 2 521 52 52 PHE HB3 H 3.147 0.020 2 522 52 52 PHE HD1 H 7.022 0.020 3 523 52 52 PHE HD2 H 7.071 0.020 3 524 52 52 PHE HE1 H 6.934 0.020 3 525 52 52 PHE HE2 H 6.954 0.020 3 526 52 52 PHE HZ H 7.100 0.020 1 527 52 52 PHE C C 175.100 0.3 1 528 52 52 PHE CA C 56.336 0.3 1 529 52 52 PHE CB C 39.938 0.3 1 530 52 52 PHE CD1 C 133.197 0.3 1 531 52 52 PHE CD2 C 132.318 0.3 1 532 52 52 PHE CE1 C 130.267 0.3 1 533 52 52 PHE CE2 C 129.095 0.3 1 534 52 52 PHE CZ C 125.871 0.3 1 535 52 52 PHE N N 124.853 0.3 1 536 53 53 HIS H H 8.356 0.020 1 537 53 53 HIS HB2 H 3.077 0.020 2 538 53 53 HIS HB3 H 3.218 0.020 2 539 53 53 HIS HD1 H 10.367 0.020 1 540 53 53 HIS HD2 H 7.384 0.020 1 541 53 53 HIS HE1 H 7.932 0.020 1 542 53 53 HIS HE2 H 11.083 0.020 1 543 53 53 HIS C C 170.119 0.3 1 544 53 53 HIS CA C 55.164 0.3 1 545 53 53 HIS CB C 30.568 0.3 1 546 53 53 HIS CD2 C 117.960 0.3 1 547 53 53 HIS CE1 C 141.695 0.3 1 548 53 53 HIS N N 120.603 0.3 1 549 53 53 HIS ND1 N 197.322 0.3 1 550 53 53 HIS NE2 N 177.382 0.3 1 551 54 54 THR H H 7.574 0.020 1 552 54 54 THR HG1 H 5.594 0.020 1 553 54 54 THR HG2 H 1.147 0.020 1 554 54 54 THR C C 178.910 0.3 1 555 54 54 THR CA C 63.363 0.3 1 556 54 54 THR CB C 72.733 0.3 1 557 54 54 THR CG2 C 21.769 0.3 1 558 54 54 THR N N 112.634 0.3 1 559 55 55 ASN H H 10.187 0.020 1 560 55 55 ASN HB2 H 2.860 0.020 2 561 55 55 ASN HB3 H 2.820 0.020 2 562 55 55 ASN HD21 H 7.413 0.020 1 563 55 55 ASN HD22 H 7.179 0.020 1 564 55 55 ASN C C 176.273 0.3 1 565 55 55 ASN CA C 51.065 0.3 1 566 55 55 ASN CB C 37.010 0.3 1 567 55 55 ASN N N 131.095 0.3 1 568 55 55 ASN ND2 N 114.203 0.3 1 569 56 56 ARG H H 7.433 0.020 1 570 56 56 ARG HB2 H 1.461 0.020 2 571 56 56 ARG HB3 H 1.992 0.020 2 572 56 56 ARG HG2 H 1.343 0.020 2 573 56 56 ARG HG3 H 1.366 0.020 2 574 56 56 ARG HD2 H 3.069 0.020 2 575 56 56 ARG HD3 H 3.186 0.020 2 576 56 56 ARG HH11 H 6.885 0.020 1 577 56 56 ARG HH12 H 6.983 0.020 1 578 56 56 ARG HH21 H 6.797 0.020 1 579 56 56 ARG HH22 H 6.758 0.020 1 580 56 56 ARG C C 175.100 0.3 1 581 56 56 ARG CA C 61.606 0.3 1 582 56 56 ARG CB C 32.911 0.3 1 583 56 56 ARG CZ C 161.914 0.3 1 584 56 56 ARG N N 122.064 0.3 1 585 56 56 ARG NE N 90.393 0.3 1 586 56 56 ARG NH1 N 81.229 0.3 1 587 56 56 ARG NH2 N 81.938 0.3 1 588 57 57 GLY H H 9.373 0.020 1 589 57 57 GLY HA2 H 3.991 0.020 2 590 57 57 GLY HA3 H 4.014 0.020 2 591 57 57 GLY C C 175.979 0.3 1 592 57 57 GLY CA C 42.281 0.3 1 593 57 57 GLY N N 127.709 0.3 1 594 58 58 PRO HB2 H 2.185 0.020 2 595 58 58 PRO HB3 H 2.228 0.020 2 596 58 58 PRO HG2 H 1.868 0.020 2 597 58 58 PRO HG3 H 1.946 0.020 2 598 58 58 PRO HD2 H 3.577 0.020 2 599 58 58 PRO HD3 H 3.632 0.020 2 600 58 58 PRO C C 177.152 0.3 1 601 58 58 PRO CA C 65.137 0.3 1 602 58 58 PRO CB C 29.095 0.3 1 603 58 58 PRO N N 114.560 0.3 1 604 59 59 ILE H H 8.794 0.020 1 605 59 59 ILE HG12 H 1.422 0.020 2 606 59 59 ILE HG13 H 1.193 0.020 2 607 59 59 ILE HG2 H 0.820 0.020 1 608 59 59 ILE HD1 H 0.752 0.020 1 609 59 59 ILE C C 175.979 0.3 1 610 59 59 ILE CA C 65.120 0.3 1 611 59 59 ILE CB C 40.524 0.3 1 612 59 59 ILE CG1 C 28.802 0.3 1 613 59 59 ILE CG2 C 18.253 0.3 1 614 59 59 ILE CD1 C 13.564 0.3 1 615 59 59 ILE N N 128.638 0.3 1 616 60 60 LYS H H 7.253 0.020 1 617 60 60 LYS HB2 H 1.870 0.020 2 618 60 60 LYS HB3 H 1.936 0.020 2 619 60 60 LYS HG2 H 1.202 0.020 2 620 60 60 LYS HG3 H 1.218 0.020 2 621 60 60 LYS HD2 H 1.343 0.020 2 622 60 60 LYS HD3 H 1.538 0.020 2 623 60 60 LYS HE2 H 2.853 0.020 2 624 60 60 LYS HE3 H 2.915 0.020 2 625 60 60 LYS HZ H 7.531 0.020 1 626 60 60 LYS C C 175.979 0.3 1 627 60 60 LYS CA C 56.921 0.3 1 628 60 60 LYS CB C 32.325 0.3 1 629 60 60 LYS N N 115.756 0.3 1 630 60 60 LYS NZ N 48.294 0.3 1 631 61 61 PHE H H 7.515 0.020 1 632 61 61 PHE HB2 H 3.092 0.020 2 633 61 61 PHE HB3 H 3.186 0.020 2 634 61 61 PHE HD1 H 7.003 0.020 3 635 61 61 PHE HD2 H 7.032 0.020 3 636 61 61 PHE HE1 H 7.051 0.020 3 637 61 61 PHE HE2 H 7.081 0.020 3 638 61 61 PHE HZ H 6.954 0.020 1 639 61 61 PHE C C 175.393 0.3 1 640 61 61 PHE CA C 57.507 0.3 1 641 61 61 PHE CB C 41.109 0.3 1 642 61 61 PHE CD1 C 131.146 0.3 1 643 61 61 PHE CD2 C 131.732 0.3 1 644 61 61 PHE CE1 C 129.974 0.3 1 645 61 61 PHE CE2 C 130.560 0.3 1 646 61 61 PHE CZ C 128.802 0.3 1 647 61 61 PHE N N 120.670 0.3 1 648 62 62 ASN H H 7.558 0.020 1 649 62 62 ASN HB2 H 2.922 0.020 2 650 62 62 ASN HB3 H 2.969 0.020 2 651 62 62 ASN HD21 H 7.452 0.020 1 652 62 62 ASN HD22 H 7.071 0.020 1 653 62 62 ASN C C 175.100 0.3 1 654 62 62 ASN CA C 53.407 0.3 1 655 62 62 ASN CB C 38.767 0.3 1 656 62 62 ASN N N 119.076 0.3 1 657 62 62 ASN ND2 N 113.992 0.3 1 658 63 63 VAL H H 8.113 0.020 1 659 63 63 VAL HB H 2.053 0.020 1 660 63 63 VAL HG1 H 0.876 0.020 2 661 63 63 VAL HG2 H 0.946 0.020 2 662 63 63 VAL C C 175.100 0.3 1 663 63 63 VAL CA C 61.020 0.3 1 664 63 63 VAL CB C 31.154 0.3 1 665 63 63 VAL CG1 C 21.476 0.3 1 666 63 63 VAL CG2 C 22.355 0.3 1 667 63 63 VAL N N 106.127 0.3 1 668 64 64 TRP H H 8.970 0.020 1 669 64 64 TRP HB2 H 3.130 0.020 2 670 64 64 TRP HB3 H 3.110 0.020 2 671 64 64 TRP HD1 H 7.130 0.020 1 672 64 64 TRP HE1 H 10.093 0.020 1 673 64 64 TRP HE3 H 7.286 0.020 1 674 64 64 TRP HZ2 H 7.355 0.020 1 675 64 64 TRP HZ3 H 6.836 0.020 1 676 64 64 TRP HH2 H 6.963 0.020 1 677 64 64 TRP C C 177.152 0.3 1 678 64 64 TRP CA C 59.264 0.3 1 679 64 64 TRP CB C 29.397 0.3 1 680 64 64 TRP CD1 C 126.164 0.3 1 681 64 64 TRP CD2 C 128.509 0.3 1 682 64 64 TRP CE2 C 139.058 0.3 1 683 64 64 TRP CE3 C 120.597 0.3 1 684 64 64 TRP CZ2 C 114.443 0.3 1 685 64 64 TRP CZ3 C 121.476 0.3 1 686 64 64 TRP CH2 C 124.406 0.3 1 687 64 64 TRP N N 129.302 0.3 1 688 64 64 TRP NE1 N 133.865 0.3 1 689 65 65 ASP H H 8.638 0.020 1 690 65 65 ASP HB2 H 2.618 0.020 2 691 65 65 ASP HB3 H 2.767 0.020 2 692 65 65 ASP C C 174.514 0.3 1 693 65 65 ASP CA C 55.164 0.3 1 694 65 65 ASP CB C 41.109 0.3 1 695 65 65 ASP N N 119.607 0.3 1 696 66 66 THR H H 8.293 0.020 1 697 66 66 THR HG1 H 6.015 0.020 1 698 66 66 THR HG2 H 1.121 0.020 1 699 66 66 THR C C 178.617 0.3 1 700 66 66 THR CA C 68.048 0.3 1 701 66 66 THR CB C 71.562 0.3 1 702 66 66 THR N N 122.463 0.3 1 703 67 67 ALA H H 8.657 0.020 1 704 67 67 ALA HB H 1.186 0.020 1 705 67 67 ALA C C 177.738 0.3 1 706 67 67 ALA CA C 48.722 0.3 1 707 67 67 ALA CB C 14.171 0.3 1 708 67 67 ALA N N 104.865 0.3 1 709 68 68 GLY H H 10.969 0.020 1 710 68 68 GLY HA2 H 4.085 0.020 2 711 68 68 GLY HA3 H 3.804 0.020 2 712 68 68 GLY C C 189.533 0.3 1 713 68 68 GLY CA C 45.209 0.3 1 714 68 68 GLY N N 115.357 0.3 1 715 69 69 GLN H H 8.344 0.020 1 716 69 69 GLN HB2 H 1.836 0.020 2 717 69 69 GLN HB3 H 1.922 0.020 2 718 69 69 GLN HG2 H 2.053 0.020 2 719 69 69 GLN HG3 H 2.202 0.020 2 720 69 69 GLN HE21 H 7.218 0.020 1 721 69 69 GLN HE22 H 7.003 0.020 1 722 69 69 GLN C C 176.859 0.3 1 723 69 69 GLN CA C 55.750 0.3 1 724 69 69 GLN CB C 27.640 0.3 1 725 69 69 GLN N N 110.111 0.3 1 726 69 69 GLN NE2 N 114.221 0.3 1 727 70 70 GLU H H 9.651 0.020 1 728 70 70 GLU HB2 H 1.961 0.020 2 729 70 70 GLU HB3 H 1.992 0.020 2 730 70 70 GLU HG2 H 2.151 0.020 2 731 70 70 GLU HG3 H 2.274 0.020 2 732 70 70 GLU C C 176.273 0.3 1 733 70 70 GLU CA C 57.507 0.3 1 734 70 70 GLU CB C 28.811 0.3 1 735 70 70 GLU N N 114.826 0.3 1 736 71 71 LYS H H 8.712 0.020 1 737 71 71 LYS HB2 H 1.877 0.020 2 738 71 71 LYS HB3 H 1.901 0.020 2 739 71 71 LYS HG2 H 1.343 0.020 2 740 71 71 LYS HG3 H 1.382 0.020 2 741 71 71 LYS HD2 H 1.687 0.020 2 742 71 71 LYS HD3 H 1.735 0.020 2 743 71 71 LYS HE2 H 2.759 0.020 2 744 71 71 LYS HE3 H 2.954 0.020 2 745 71 71 LYS HZ H 7.511 0.020 1 746 71 71 LYS C C 175.979 0.3 1 747 71 71 LYS CA C 48.722 0.3 1 748 71 71 LYS CB C 37.010 0.3 1 749 71 71 LYS N N 116.685 0.3 1 750 71 71 LYS NZ N 49.002 0.3 1 751 72 72 PHE H H 7.965 0.020 1 752 72 72 PHE HB2 H 3.116 0.020 2 753 72 72 PHE HB3 H 3.171 0.020 2 754 72 72 PHE HD1 H 7.042 0.020 3 755 72 72 PHE HD2 H 7.061 0.020 3 756 72 72 PHE HE1 H 7.081 0.020 3 757 72 72 PHE HE2 H 7.110 0.020 3 758 72 72 PHE HZ H 6.993 0.020 1 759 72 72 PHE C C 175.686 0.3 1 760 72 72 PHE CA C 56.336 0.3 1 761 72 72 PHE CB C 36.424 0.3 1 762 72 72 PHE CD1 C 130.560 0.3 1 763 72 72 PHE CD2 C 131.439 0.3 1 764 72 72 PHE CE1 C 132.611 0.3 1 765 72 72 PHE CE2 C 134.369 0.3 1 766 72 72 PHE CZ C 129.974 0.3 1 767 72 72 PHE N N 114.959 0.3 1 768 73 73 GLY H H 7.609 0.020 1 769 73 73 GLY HA2 H 3.830 0.020 2 770 73 73 GLY HA3 H 4.030 0.020 2 771 73 73 GLY C C 168.068 0.3 1 772 73 73 GLY CA C 42.281 0.3 1 773 73 73 GLY N N 117.084 0.3 1 774 74 74 GLY H H 9.326 0.020 1 775 74 74 GLY HA2 H 4.014 0.020 2 776 74 74 GLY HA3 H 4.186 0.020 2 777 74 74 GLY C C 174.514 0.3 1 778 74 74 GLY CA C 44.037 0.3 1 779 74 74 GLY N N 120.537 0.3 1 780 75 75 LEU H H 7.628 0.020 1 781 75 75 LEU HB2 H 1.311 0.020 2 782 75 75 LEU HB3 H 1.413 0.020 2 783 75 75 LEU HD1 H 0.853 0.020 2 784 75 75 LEU HD2 H 0.993 0.020 2 785 75 75 LEU C C 178.617 0.3 1 786 75 75 LEU CA C 53.407 0.3 1 787 75 75 LEU CB C 42.281 0.3 1 788 75 75 LEU CD1 C 24.113 0.3 1 789 75 75 LEU CD2 C 24.699 0.3 1 790 75 75 LEU N N 127.177 0.3 1 791 76 76 ARG H H 7.143 0.020 1 792 76 76 ARG HB2 H 1.789 0.020 2 793 76 76 ARG HB3 H 1.969 0.020 2 794 76 76 ARG HG2 H 1.563 0.020 2 795 76 76 ARG HG3 H 1.634 0.020 2 796 76 76 ARG HD2 H 3.008 0.020 2 797 76 76 ARG HD3 H 3.078 0.020 2 798 76 76 ARG HE H 7.511 0.020 1 799 76 76 ARG HH11 H 6.875 0.020 1 800 76 76 ARG HH12 H 6.905 0.020 1 801 76 76 ARG HH21 H 6.778 0.020 1 802 76 76 ARG HH22 H 6.748 0.020 1 803 76 76 ARG C C 176.859 0.3 1 804 76 76 ARG CA C 59.264 0.3 1 805 76 76 ARG CB C 31.154 0.3 1 806 76 76 ARG CZ C 159.570 0.3 1 807 76 76 ARG N N 116.486 0.3 1 808 76 76 ARG NE N 93.293 0.3 1 809 76 76 ARG NH1 N 79.394 0.3 1 810 76 76 ARG NH2 N 81.395 0.3 1 811 77 77 ASP H H 8.947 0.020 1 812 77 77 ASP HB2 H 2.585 0.020 2 813 77 77 ASP HB3 H 2.953 0.020 2 814 77 77 ASP C C 177.152 0.3 1 815 77 77 ASP CA C 52.822 0.3 1 816 77 77 ASP CB C 41.695 0.3 1 817 77 77 ASP N N 129.236 0.3 1 818 78 78 GLY H H 8.219 0.020 1 819 78 78 GLY HA2 H 4.100 0.020 2 820 78 78 GLY HA3 H 4.155 0.020 2 821 78 78 GLY C C 173.928 0.3 1 822 78 78 GLY CA C 44.623 0.3 1 823 78 78 GLY N N 127.244 0.3 1 824 79 79 TYR H H 8.563 0.020 1 825 79 79 TYR HB2 H 2.953 0.020 2 826 79 79 TYR HB3 H 3.133 0.020 2 827 79 79 TYR HD1 H 6.944 0.020 3 828 79 79 TYR HD2 H 6.963 0.020 3 829 79 79 TYR HE1 H 6.709 0.020 3 830 79 79 TYR HE2 H 6.729 0.020 3 831 79 79 TYR HH H 9.203 0.020 1 832 79 79 TYR C C 176.273 0.3 1 833 79 79 TYR CA C 58.678 0.3 1 834 79 79 TYR CB C 40.524 0.3 1 835 79 79 TYR CD1 C 132.611 0.3 1 836 79 79 TYR CD2 C 133.197 0.3 1 837 79 79 TYR CE1 C 116.494 0.3 1 838 79 79 TYR CE2 C 117.960 0.3 1 839 79 79 TYR CZ C 154.881 0.3 1 840 79 79 TYR N N 120.537 0.3 1 841 80 80 TYR H H 7.194 0.020 1 842 80 80 TYR HB2 H 2.853 0.020 2 843 80 80 TYR HB3 H 3.009 0.020 2 844 80 80 TYR HD1 H 6.954 0.020 3 845 80 80 TYR HD2 H 6.924 0.020 3 846 80 80 TYR HE1 H 6.690 0.020 3 847 80 80 TYR HE2 H 6.670 0.020 3 848 80 80 TYR HH H 9.213 0.020 1 849 80 80 TYR C C 175.979 0.3 1 850 80 80 TYR CA C 58.092 0.3 1 851 80 80 TYR CB C 38.181 0.3 1 852 80 80 TYR CD1 C 133.197 0.3 1 853 80 80 TYR CD2 C 132.318 0.3 1 854 80 80 TYR CE1 C 118.253 0.3 1 855 80 80 TYR CE2 C 117.374 0.3 1 856 80 80 TYR CZ C 155.467 0.3 1 857 80 80 TYR N N 115.822 0.3 1 858 81 81 ILE H H 8.837 0.020 1 859 81 81 ILE HG12 H 1.272 0.020 2 860 81 81 ILE HG13 H 1.145 0.020 2 861 81 81 ILE HG2 H 0.976 0.020 1 862 81 81 ILE HD1 H 0.656 0.020 1 863 81 81 ILE C C 177.445 0.3 1 864 81 81 ILE CA C 67.462 0.3 1 865 81 81 ILE CB C 41.109 0.3 1 866 81 81 ILE CG1 C 27.044 0.3 1 867 81 81 ILE CG2 C 16.201 0.3 1 868 81 81 ILE CD1 C 12.978 0.3 1 869 81 81 ILE N N 120.072 0.3 1 870 82 82 GLN H H 8.493 0.020 1 871 82 82 GLN HB2 H 1.857 0.020 2 872 82 82 GLN HB3 H 1.919 0.020 2 873 82 82 GLN HG2 H 2.140 0.020 2 874 82 82 GLN HG3 H 2.287 0.020 2 875 82 82 GLN HE21 H 7.276 0.020 1 876 82 82 GLN HE22 H 7.042 0.020 1 877 82 82 GLN C C 177.152 0.3 1 878 82 82 GLN CA C 56.336 0.3 1 879 82 82 GLN CB C 24.126 0.3 1 880 82 82 GLN N N 109.580 0.3 1 881 82 82 GLN NE2 N 112.934 0.3 1 882 83 83 ALA H H 6.306 0.020 1 883 83 83 ALA HB H 1.163 0.020 1 884 83 83 ALA C C 175.979 0.3 1 885 83 83 ALA CA C 54.579 0.3 1 886 83 83 ALA CB C 16.513 0.3 1 887 83 83 ALA N N 109.713 0.3 1 888 84 84 GLN H H 11.169 0.020 1 889 84 84 GLN HB2 H 1.909 0.020 2 890 84 84 GLN HB3 H 1.987 0.020 2 891 84 84 GLN HG2 H 2.089 0.020 2 892 84 84 GLN HG3 H 2.143 0.020 2 893 84 84 GLN HE21 H 7.257 0.020 1 894 84 84 GLN HE22 H 7.051 0.020 1 895 84 84 GLN C C 175.686 0.3 1 896 84 84 GLN CA C 51.065 0.3 1 897 84 84 GLN CB C 32.325 0.3 1 898 84 84 GLN CD C 178.910 0.3 1 899 84 84 GLN N N 131.380 0.3 1 900 84 84 GLN NE2 N 119.230 0.3 1 901 85 85 CYS H H 8.602 0.020 1 902 85 85 CYS HB2 H 3.108 0.020 2 903 85 85 CYS HB3 H 3.163 0.020 2 904 85 85 CYS C C 173.049 0.3 1 905 85 85 CYS CA C 57.507 0.3 1 906 85 85 CYS CB C 35.253 0.3 1 907 85 85 CYS N N 124.322 0.3 1 908 86 86 ALA H H 6.897 0.020 1 909 86 86 ALA CA C 57.507 0.3 1 910 86 86 ALA CB C 21.784 0.3 1 911 86 86 ALA N N 114.295 0.3 1 912 87 87 ILE H H 8.282 0.020 1 913 87 87 ILE HG12 H 1.262 0.020 2 914 87 87 ILE HG13 H 1.045 0.020 2 915 87 87 ILE HG2 H 0.970 0.020 1 916 87 87 ILE HD1 H 0.806 0.020 1 917 87 87 ILE C C 173.928 0.3 1 918 87 87 ILE CA C 61.020 0.3 1 919 87 87 ILE CB C 39.938 0.3 1 920 87 87 ILE CG1 C 25.871 0.3 1 921 87 87 ILE CG2 C 17.374 0.3 1 922 87 87 ILE CD1 C 12.099 0.3 1 923 87 87 ILE N N 120.670 0.3 1 924 88 88 ILE H H 5.528 0.020 1 925 88 88 ILE HG12 H 1.327 0.020 2 926 88 88 ILE HG13 H 1.327 0.020 2 927 88 88 ILE HG2 H 0.976 0.020 1 928 88 88 ILE HD1 H 0.703 0.020 1 929 88 88 ILE C C 173.635 0.3 1 930 88 88 ILE CA C 64.534 0.3 1 931 88 88 ILE CB C 37.596 0.3 1 932 88 88 ILE CG1 C 27.337 0.3 1 933 88 88 ILE CG2 C 17.081 0.3 1 934 88 88 ILE CD1 C 12.099 0.3 1 935 88 88 ILE N N 120.205 0.3 1 936 89 89 MET H H 8.164 0.020 1 937 89 89 MET HB2 H 2.056 0.020 2 938 89 89 MET HB3 H 2.228 0.020 2 939 89 89 MET HG2 H 2.571 0.020 2 940 89 89 MET HG3 H 2.641 0.020 2 941 89 89 MET C C 176.566 0.3 1 942 89 89 MET CA C 56.921 0.3 1 943 89 89 MET CB C 34.668 0.3 1 944 89 89 MET N N 119.209 0.3 1 945 90 90 PHE H H 9.334 0.020 1 946 90 90 PHE HB2 H 3.069 0.020 2 947 90 90 PHE HB3 H 3.186 0.020 2 948 90 90 PHE HD1 H 6.983 0.020 3 949 90 90 PHE HD2 H 6.973 0.020 3 950 90 90 PHE HE1 H 7.081 0.020 3 951 90 90 PHE HE2 H 7.032 0.020 3 952 90 90 PHE HZ H 6.885 0.020 1 953 90 90 PHE C C 175.393 0.3 1 954 90 90 PHE CA C 60.435 0.3 1 955 90 90 PHE CB C 38.767 0.3 1 956 90 90 PHE CD1 C 132.318 0.3 1 957 90 90 PHE CD2 C 130.267 0.3 1 958 90 90 PHE CE1 C 129.388 0.3 1 959 90 90 PHE CE2 C 128.216 0.3 1 960 90 90 PHE CZ C 127.337 0.3 1 961 90 90 PHE N N 121.134 0.3 1 962 91 91 ASP H H 9.056 0.020 1 963 91 91 ASP HB2 H 2.671 0.020 2 964 91 91 ASP HB3 H 2.945 0.020 2 965 91 91 ASP C C 176.566 0.3 1 966 91 91 ASP CA C 52.822 0.3 1 967 91 91 ASP CB C 39.938 0.3 1 968 91 91 ASP N N 125.185 0.3 1 969 92 92 VAL H H 7.738 0.020 1 970 92 92 VAL HG1 H 0.774 0.020 2 971 92 92 VAL HG2 H 0.970 0.020 2 972 92 92 VAL C C 173.342 0.3 1 973 92 92 VAL CA C 64.534 0.3 1 974 92 92 VAL CB C 37.596 0.3 1 975 92 92 VAL CG1 C 20.597 0.3 1 976 92 92 VAL CG2 C 21.476 0.3 1 977 92 92 VAL N N 115.158 0.3 1 978 93 93 THR H H 7.269 0.020 1 979 93 93 THR HG1 H 5.761 0.020 1 980 93 93 THR HG2 H 1.186 0.020 1 981 93 93 THR C C 177.152 0.3 1 982 93 93 THR CA C 64.534 0.3 1 983 93 93 THR CB C 72.147 0.3 1 984 93 93 THR CG2 C 21.769 0.3 1 985 93 93 THR N N 112.302 0.3 1 986 94 94 SER H H 7.628 0.020 1 987 94 94 SER HB2 H 3.624 0.020 2 988 94 94 SER HB3 H 3.922 0.020 2 989 94 94 SER C C 163.965 0.3 1 990 94 94 SER CA C 59.849 0.3 1 991 94 94 SER CB C 62.192 0.3 1 992 94 94 SER N N 122.263 0.3 1 993 95 95 ARG H H 8.102 0.020 1 994 95 95 ARG HB2 H 2.673 0.020 2 995 95 95 ARG HB3 H 2.774 0.020 2 996 95 95 ARG HE H 7.501 0.020 1 997 95 95 ARG HH11 H 6.827 0.020 1 998 95 95 ARG HH12 H 6.934 0.020 1 999 95 95 ARG HH21 H 6.748 0.020 1 1000 95 95 ARG HH22 H 6.719 0.020 1 1001 95 95 ARG C C 176.273 0.3 1 1002 95 95 ARG CA C 53.407 0.3 1 1003 95 95 ARG CB C 31.154 0.3 1 1004 95 95 ARG CZ C 158.984 0.3 1 1005 95 95 ARG N N 113.099 0.3 1 1006 95 95 ARG NE N 90.496 0.3 1 1007 95 95 ARG NH1 N 77.294 0.3 1 1008 95 95 ARG NH2 N 77.483 0.3 1 1009 96 96 VAL H H 9.146 0.020 1 1010 96 96 VAL HG1 H 0.991 0.020 2 1011 96 96 VAL HG2 H 0.868 0.020 2 1012 96 96 VAL C C 178.031 0.3 1 1013 96 96 VAL CA C 68.634 0.3 1 1014 96 96 VAL CB C 24.126 0.3 1 1015 96 96 VAL CG1 C 20.304 0.3 1 1016 96 96 VAL CG2 C 21.183 0.3 1 1017 96 96 VAL N N 124.787 0.3 1 1018 97 97 THR H H 7.984 0.020 1 1019 97 97 THR HG1 H 5.477 0.020 1 1020 97 97 THR HG2 H 1.249 0.020 1 1021 97 97 THR C C 178.031 0.3 1 1022 97 97 THR CA C 63.949 0.3 1 1023 97 97 THR CB C 70.390 0.3 1 1024 97 97 THR CG2 C 21.183 0.3 1 1025 97 97 THR N N 111.970 0.3 1 1026 98 98 TYR H H 7.605 0.020 1 1027 98 98 TYR HB2 H 2.853 0.020 2 1028 98 98 TYR HB3 H 2.978 0.020 2 1029 98 98 TYR HD1 H 6.885 0.020 3 1030 98 98 TYR HD2 H 6.905 0.020 3 1031 98 98 TYR HE1 H 6.690 0.020 3 1032 98 98 TYR HE2 H 6.709 0.020 3 1033 98 98 TYR HH H 9.193 0.020 1 1034 98 98 TYR C C 176.273 0.3 1 1035 98 98 TYR CD1 C 131.146 0.3 1 1036 98 98 TYR CD2 C 132.025 0.3 1 1037 98 98 TYR CE1 C 117.081 0.3 1 1038 98 98 TYR CE2 C 117.667 0.3 1 1039 98 98 TYR CZ C 154.295 0.3 1 1040 98 98 TYR N N 113.232 0.3 1 1041 99 99 LYS H H 8.129 0.020 1 1042 99 99 LYS HB2 H 1.790 0.020 2 1043 99 99 LYS HB3 H 1.946 0.020 2 1044 99 99 LYS HG2 H 1.147 0.020 2 1045 99 99 LYS HG3 H 1.163 0.020 2 1046 99 99 LYS HD2 H 1.296 0.020 2 1047 99 99 LYS HD3 H 1.546 0.020 2 1048 99 99 LYS HE2 H 3.030 0.020 2 1049 99 99 LYS HE3 H 3.100 0.020 2 1050 99 99 LYS HZ H 7.730 0.020 1 1051 99 99 LYS C C 174.221 0.3 1 1052 99 99 LYS CA C 59.264 0.3 1 1053 99 99 LYS CB C 34.668 0.3 1 1054 99 99 LYS N N 121.998 0.3 1 1055 99 99 LYS NZ N 42.443 0.3 1 1056 100 100 ASN H H 5.778 0.020 1 1057 100 100 ASN HB2 H 2.704 0.020 2 1058 100 100 ASN HB3 H 2.806 0.020 2 1059 100 100 ASN HD21 H 7.355 0.020 1 1060 100 100 ASN HD22 H 7.179 0.020 1 1061 100 100 ASN C C 175.979 0.3 1 1062 100 100 ASN CA C 53.407 0.3 1 1063 100 100 ASN CB C 37.596 0.3 1 1064 100 100 ASN N N 111.970 0.3 1 1065 100 100 ASN ND2 N 115.732 0.3 1 1066 101 101 VAL H H 7.370 0.020 1 1067 101 101 VAL HG1 H 0.845 0.020 2 1068 101 101 VAL HG2 H 0.962 0.020 2 1069 101 101 VAL C C 173.635 0.3 1 1070 101 101 VAL CA C 62.777 0.3 1 1071 101 101 VAL CB C 27.054 0.3 1 1072 101 101 VAL CG1 C 20.304 0.3 1 1073 101 101 VAL CG2 C 20.890 0.3 1 1074 101 101 VAL N N 118.877 0.3 1 1075 102 102 PRO HB2 H 2.112 0.020 2 1076 102 102 PRO HB3 H 2.261 0.020 2 1077 102 102 PRO HG2 H 1.859 0.020 2 1078 102 102 PRO HG3 H 1.939 0.020 2 1079 102 102 PRO HD2 H 3.532 0.020 2 1080 102 102 PRO HD3 H 3.688 0.020 2 1081 102 102 PRO C C 176.566 0.3 1 1082 102 102 PRO CA C 62.500 0.3 1 1083 102 102 PRO CB C 30.853 0.3 1 1084 102 102 PRO N N 117.084 0.3 1 1085 103 103 ASN H H 7.879 0.020 1 1086 103 103 ASN HB2 H 2.609 0.020 2 1087 103 103 ASN HB3 H 2.663 0.020 2 1088 103 103 ASN HD21 H 7.394 0.020 1 1089 103 103 ASN HD22 H 7.091 0.020 1 1090 103 103 ASN C C 175.100 0.3 1 1091 103 103 ASN CA C 54.579 0.3 1 1092 103 103 ASN CB C 38.767 0.3 1 1093 103 103 ASN N N 122.728 0.3 1 1094 103 103 ASN ND2 N 117.112 0.3 1 1095 104 104 TRP H H 9.541 0.020 1 1096 104 104 TRP HB2 H 3.210 0.020 1 1097 104 104 TRP HB3 H 3.210 0.020 1 1098 104 104 TRP HD1 H 7.149 0.020 1 1099 104 104 TRP HE1 H 10.085 0.020 1 1100 104 104 TRP HE3 H 7.286 0.020 1 1101 104 104 TRP HZ2 H 7.273 0.020 1 1102 104 104 TRP HZ3 H 6.846 0.020 1 1103 104 104 TRP HH2 H 6.944 0.020 1 1104 104 104 TRP C C 176.273 0.3 1 1105 104 104 TRP CA C 60.435 0.3 1 1106 104 104 TRP CB C 29.983 0.3 1 1107 104 104 TRP N N 132.158 0.3 1 1108 104 104 TRP NE1 N 129.333 0.3 1 1109 105 105 HIS H H 6.971 0.020 1 1110 105 105 HIS HB2 H 3.045 0.020 2 1111 105 105 HIS HB3 H 3.139 0.020 2 1112 105 105 HIS HD1 H 10.396 0.020 1 1113 105 105 HIS HD2 H 7.188 0.020 1 1114 105 105 HIS HE1 H 7.814 0.020 1 1115 105 105 HIS HE2 H 11.112 0.020 1 1116 105 105 HIS C C 177.738 0.3 1 1117 105 105 HIS CD2 C 115.029 0.3 1 1118 105 105 HIS CE1 C 139.644 0.3 1 1119 105 105 HIS N N 120.869 0.3 1 1120 105 105 HIS ND1 N 192.113 0.3 1 1121 105 105 HIS NE2 N 179.221 0.3 1 1122 106 106 ARG H H 7.507 0.020 1 1123 106 106 ARG HB2 H 1.836 0.020 2 1124 106 106 ARG HB3 H 1.984 0.020 2 1125 106 106 ARG HG2 H 1.382 0.020 2 1126 106 106 ARG HG3 H 1.460 0.020 2 1127 106 106 ARG HD2 H 3.069 0.020 2 1128 106 106 ARG HD3 H 3.235 0.020 2 1129 106 106 ARG HH11 H 6.866 0.020 1 1130 106 106 ARG HH12 H 6.905 0.020 1 1131 106 106 ARG HH21 H 6.797 0.020 1 1132 106 106 ARG HH22 H 6.729 0.020 1 1133 106 106 ARG C C 176.566 0.3 1 1134 106 106 ARG CA C 62.777 0.3 1 1135 106 106 ARG CB C 29.397 0.3 1 1136 106 106 ARG CZ C 159.863 0.3 1 1137 106 106 ARG N N 126.314 0.3 1 1138 106 106 ARG NE N 89.393 0.3 1 1139 106 106 ARG NH1 N 79.294 0.3 1 1140 106 106 ARG NH2 N 79.729 0.3 1 1141 107 107 ASP H H 9.076 0.020 1 1142 107 107 ASP HB2 H 2.538 0.020 2 1143 107 107 ASP HB3 H 2.687 0.020 2 1144 107 107 ASP C C 176.566 0.3 1 1145 107 107 ASP CA C 55.164 0.3 1 1146 107 107 ASP CB C 41.695 0.3 1 1147 107 107 ASP N N 119.076 0.3 1 1148 108 108 LEU H H 6.725 0.020 1 1149 108 108 LEU HB2 H 1.444 0.020 2 1150 108 108 LEU HB3 H 1.585 0.020 2 1151 108 108 LEU HD1 H 0.820 0.020 2 1152 108 108 LEU HD2 H 0.890 0.020 2 1153 108 108 LEU C C 176.273 0.3 1 1154 108 108 LEU CA C 59.264 0.3 1 1155 108 108 LEU CB C 48.722 0.3 1 1156 108 108 LEU CD1 C 24.113 0.3 1 1157 108 108 LEU CD2 C 24.992 0.3 1 1158 108 108 LEU N N 113.299 0.3 1 1159 109 109 VAL H H 8.763 0.020 1 1160 109 109 VAL HG1 H 0.820 0.020 2 1161 109 109 VAL HG2 H 0.976 0.020 2 1162 109 109 VAL C C 175.393 0.3 1 1163 109 109 VAL CA C 63.949 0.3 1 1164 109 109 VAL CB C 32.911 0.3 1 1165 109 109 VAL CG1 C 22.355 0.3 1 1166 109 109 VAL CG2 C 22.941 0.3 1 1167 109 109 VAL N N 121.267 0.3 1 1168 110 110 ARG H H 7.241 0.020 1 1169 110 110 ARG HB2 H 1.687 0.020 2 1170 110 110 ARG HB3 H 1.742 0.020 2 1171 110 110 ARG HG2 H 1.444 0.020 2 1172 110 110 ARG HG3 H 1.577 0.020 2 1173 110 110 ARG HD2 H 3.038 0.020 2 1174 110 110 ARG HD3 H 3.085 0.020 2 1175 110 110 ARG HE H 7.492 0.020 1 1176 110 110 ARG HH11 H 6.885 0.020 1 1177 110 110 ARG HH12 H 6.827 0.020 1 1178 110 110 ARG HH21 H 6.719 0.020 1 1179 110 110 ARG HH22 H 6.748 0.020 1 1180 110 110 ARG C C 176.273 0.3 1 1181 110 110 ARG CA C 57.507 0.3 1 1182 110 110 ARG CB C 30.568 0.3 1 1183 110 110 ARG CZ C 158.984 0.3 1 1184 110 110 ARG N N 112.900 0.3 1 1185 110 110 ARG NE N 94.021 0.3 1 1186 110 110 ARG NH1 N 80.394 0.3 1 1187 110 110 ARG NH2 N 80.302 0.3 1 1188 111 111 VAL H H 7.566 0.020 1 1189 111 111 VAL HG1 H 0.742 0.020 2 1190 111 111 VAL HG2 H 0.890 0.020 2 1191 111 111 VAL C C 177.445 0.3 1 1192 111 111 VAL CA C 59.849 0.3 1 1193 111 111 VAL CB C 32.911 0.3 1 1194 111 111 VAL CG1 C 20.011 0.3 1 1195 111 111 VAL CG2 C 20.890 0.3 1 1196 111 111 VAL N N 115.556 0.3 1 1197 112 112 CYS H H 7.425 0.020 1 1198 112 112 CYS HB2 H 3.030 0.020 2 1199 112 112 CYS HB3 H 3.077 0.020 2 1200 112 112 CYS C C 169.826 0.3 1 1201 112 112 CYS CA C 57.507 0.3 1 1202 112 112 CYS CB C 35.839 0.3 1 1203 112 112 CYS N N 114.295 0.3 1 1204 113 113 GLU H H 7.241 0.020 1 1205 113 113 GLU HB2 H 1.862 0.020 2 1206 113 113 GLU HB3 H 1.924 0.020 2 1207 113 113 GLU HG2 H 2.095 0.020 2 1208 113 113 GLU HG3 H 2.197 0.020 2 1209 113 113 GLU C C 176.566 0.3 1 1210 113 113 GLU CA C 69.219 0.3 1 1211 113 113 GLU CB C 30.568 0.3 1 1212 113 113 GLU N N 116.486 0.3 1 1213 114 114 ASN H H 8.919 0.020 1 1214 114 114 ASN HB2 H 2.650 0.020 2 1215 114 114 ASN HB3 H 2.640 0.020 2 1216 114 114 ASN HD21 H 7.355 0.020 1 1217 114 114 ASN HD22 H 7.188 0.020 1 1218 114 114 ASN C C 175.100 0.3 1 1219 114 114 ASN CA C 52.236 0.3 1 1220 114 114 ASN CB C 39.938 0.3 1 1221 114 114 ASN N N 129.302 0.3 1 1222 114 114 ASN ND2 N 1114.29 0.3 1 1223 115 115 ILE H H 9.287 0.020 1 1224 115 115 ILE HG12 H 1.225 0.020 2 1225 115 115 ILE HG13 H 1.077 0.020 2 1226 115 115 ILE HG2 H 0.695 0.020 1 1227 115 115 ILE HD1 H 0.491 0.020 1 1228 115 115 ILE C C 175.100 0.3 1 1229 115 115 ILE CA C 65.705 0.3 1 1230 115 115 ILE CB C 39.353 0.3 1 1231 115 115 ILE CG1 C 27.044 0.3 1 1232 115 115 ILE CG2 C 17.374 0.3 1 1233 115 115 ILE CD1 C 13.564 0.3 1 1234 115 115 ILE N N 110.443 0.3 1 1235 116 116 PRO HB2 H 2.194 0.020 2 1236 116 116 PRO HB3 H 2.264 0.020 2 1237 116 116 PRO HG2 H 1.843 0.020 2 1238 116 116 PRO HG3 H 2.061 0.020 2 1239 116 116 PRO HD2 H 3.515 0.020 2 1240 116 116 PRO HD3 H 3.609 0.020 2 1241 116 116 PRO C C 175.979 0.3 1 1242 116 116 PRO CA C 63.086 0.3 1 1243 116 116 PRO CB C 29.681 0.3 1 1244 116 116 PRO N N 117.548 0.3 1 1245 117 117 ILE H H 7.781 0.020 1 1246 117 117 ILE HG12 H 1.272 0.020 2 1247 117 117 ILE HG13 H 1.193 0.020 2 1248 117 117 ILE HG2 H 0.962 0.020 1 1249 117 117 ILE HD1 H 0.876 0.020 1 1250 117 117 ILE C C 174.807 0.3 1 1251 117 117 ILE CA C 66.291 0.3 1 1252 117 117 ILE CB C 38.767 0.3 1 1253 117 117 ILE CG1 C 27.630 0.3 1 1254 117 117 ILE CG2 C 18.253 0.3 1 1255 117 117 ILE CD1 C 12.978 0.3 1 1256 117 117 ILE N N 123.591 0.3 1 1257 118 118 VAL H H 8.767 0.020 1 1258 118 118 VAL HG1 H 0.917 0.020 2 1259 118 118 VAL HG2 H 0.948 0.020 2 1260 118 118 VAL C C 178.324 0.3 1 1261 118 118 VAL CA C 62.777 0.3 1 1262 118 118 VAL CB C 31.154 0.3 1 1263 118 118 VAL CG1 C 20.597 0.3 1 1264 118 118 VAL CG2 C 22.355 0.3 1 1265 118 118 VAL N N 119.009 0.3 1 1266 119 119 LEU H H 7.734 0.020 1 1267 119 119 LEU HB2 H 1.516 0.020 2 1268 119 119 LEU HB3 H 1.624 0.020 2 1269 119 119 LEU HD1 H 0.790 0.020 2 1270 119 119 LEU HD2 H 0.853 0.020 2 1271 119 119 LEU C C 178.031 0.3 1 1272 119 119 LEU CA C 42.866 0.3 1 1273 119 119 LEU CB C 38.767 0.3 1 1274 119 119 LEU CD1 C 23.234 0.3 1 1275 119 119 LEU CD2 C 23.820 0.3 1 1276 119 119 LEU N N 119.408 0.3 1 1277 120 120 CYS H H 8.317 0.020 1 1278 120 120 CYS HB2 H 3.077 0.020 2 1279 120 120 CYS HB3 H 3.225 0.020 2 1280 120 120 CYS C C 178.031 0.3 1 1281 120 120 CYS N N 113.232 0.3 1 1282 121 121 GLY H H 7.515 0.020 1 1283 121 121 GLY HA2 H 3.906 0.020 2 1284 121 121 GLY HA3 H 4.156 0.020 2 1285 121 121 GLY C C 176.851 0.3 1 1286 121 121 GLY CA C 41.109 0.3 1 1287 121 121 GLY N N 117.349 0.3 1 1288 122 122 ASN H H 9.162 0.020 1 1289 122 122 ASN HB2 H 2.883 0.020 2 1290 122 122 ASN HB3 H 2.945 0.020 2 1291 122 122 ASN HD21 H 7.404 0.020 1 1292 122 122 ASN HD22 H 7.130 0.020 1 1293 122 122 ASN C C 175.686 0.3 1 1294 122 122 ASN CA C 50.479 0.3 1 1295 122 122 ASN CB C 39.353 0.3 1 1296 122 122 ASN N N 125.318 0.3 1 1297 122 122 ASN ND2 N 111.644 0.3 1 1298 123 123 LYS H H 8.086 0.020 1 1299 123 123 LYS HB2 H 1.742 0.020 2 1300 123 123 LYS HB3 H 1.991 0.020 2 1301 123 123 LYS HG2 H 1.124 0.020 2 1302 123 123 LYS HG3 H 1.452 0.020 2 1303 123 123 LYS HD2 H 1.507 0.020 2 1304 123 123 LYS HD3 H 1.656 0.020 2 1305 123 123 LYS HE2 H 3.016 0.020 2 1306 123 123 LYS HE3 H 3.195 0.020 2 1307 123 123 LYS HZ H 7.306 0.020 1 1308 123 123 LYS C C 176.566 0.3 1 1309 123 123 LYS CA C 70.976 0.3 1 1310 123 123 LYS CB C 35.253 0.3 1 1311 123 123 LYS N N 124.920 0.3 1 1312 123 123 LYS NZ N 49.293 0.3 1 1313 124 124 VAL H H 9.483 0.020 1 1314 124 124 VAL HG1 H 0.895 0.020 2 1315 124 124 VAL HG2 H 0.937 0.020 2 1316 124 124 VAL C C 177.738 0.3 1 1317 124 124 VAL CA C 62.777 0.3 1 1318 124 124 VAL CB C 33.496 0.3 1 1319 124 124 VAL CG1 C 22.062 0.3 1 1320 124 124 VAL CG2 C 22.941 0.3 1 1321 124 124 VAL N N 125.517 0.3 1 1322 125 125 ASP H H 7.875 0.020 1 1323 125 125 ASP HB2 H 2.792 0.020 2 1324 125 125 ASP HB3 H 2.901 0.020 2 1325 125 125 ASP C C 176.566 0.3 1 1326 125 125 ASP CA C 55.750 0.3 1 1327 125 125 ASP CB C 40.524 0.3 1 1328 125 125 ASP N N 119.607 0.3 1 1329 126 126 ILE H H 7.511 0.020 1 1330 126 126 ILE HG12 H 1.252 0.020 2 1331 126 126 ILE HG13 H 1.193 0.020 2 1332 126 126 ILE HG2 H 0.888 0.020 1 1333 126 126 ILE HD1 H 0.609 0.020 1 1334 126 126 ILE C C 177.152 0.3 1 1335 126 126 ILE CA C 66.291 0.3 1 1336 126 126 ILE CB C 39.353 0.3 1 1337 126 126 ILE CG1 C 26.457 0.3 1 1338 126 126 ILE CG2 C 16.787 0.3 1 1339 126 126 ILE CD1 C 13.564 0.3 1 1340 126 126 ILE N N 116.088 0.3 1 1341 127 127 LYS H H 8.059 0.020 1 1342 127 127 LYS HB2 H 1.976 0.020 2 1343 127 127 LYS HB3 H 2.016 0.020 2 1344 127 127 LYS HG2 H 1.264 0.020 2 1345 127 127 LYS HG3 H 1.452 0.020 2 1346 127 127 LYS HD2 H 1.515 0.020 2 1347 127 127 LYS HD3 H 1.703 0.020 2 1348 127 127 LYS HE2 H 2.812 0.020 2 1349 127 127 LYS HE3 H 2.953 0.020 2 1350 127 127 LYS HZ H 7.511 0.020 1 1351 127 127 LYS C C 177.152 0.3 1 1352 127 127 LYS CA C 57.507 0.3 1 1353 127 127 LYS CB C 31.154 0.3 1 1354 127 127 LYS N N 117.681 0.3 1 1355 127 127 LYS NZ N 47.334 0.3 1 1356 128 128 ASP H H 7.241 0.020 1 1357 128 128 ASP HB2 H 2.829 0.020 2 1358 128 128 ASP HB3 H 2.884 0.020 2 1359 128 128 ASP C C 176.566 0.3 1 1360 128 128 ASP CA C 53.407 0.3 1 1361 128 128 ASP CB C 40.524 0.3 1 1362 128 128 ASP N N 118.279 0.3 1 1363 129 129 ARG H H 8.423 0.020 1 1364 129 129 ARG HB2 H 1.649 0.020 2 1365 129 129 ARG HB3 H 1.837 0.020 2 1366 129 129 ARG HG2 H 1.274 0.020 2 1367 129 129 ARG HG3 H 1.477 0.020 2 1368 129 129 ARG HD2 H 3.077 0.020 2 1369 129 129 ARG HD3 H 3.139 0.020 2 1370 129 129 ARG HH11 H 6.885 0.020 1 1371 129 129 ARG HH12 H 6.905 0.020 1 1372 129 129 ARG HH21 H 6.846 0.020 1 1373 129 129 ARG HH22 H 6.797 0.020 1 1374 129 129 ARG C C 177.738 0.3 1 1375 129 129 ARG CA C 45.794 0.3 1 1376 129 129 ARG CB C 31.154 0.3 1 1377 129 129 ARG CZ C 162.793 0.3 1 1378 129 129 ARG N N 118.943 0.3 1 1379 129 129 ARG NE N 92.393 0.3 1 1380 129 129 ARG NH1 N 80.393 0.3 1 1381 129 129 ARG NH2 N 80.284 0.3 1 1382 130 130 LYS H H 7.296 0.020 1 1383 130 130 LYS HB2 H 1.735 0.020 2 1384 130 130 LYS HB3 H 1.900 0.020 2 1385 130 130 LYS HG2 H 1.141 0.020 2 1386 130 130 LYS HG3 H 1.258 0.020 2 1387 130 130 LYS HD2 H 1.416 0.020 2 1388 130 130 LYS HD3 H 1.557 0.020 2 1389 130 130 LYS HE2 H 2.838 0.020 2 1390 130 130 LYS HE3 H 2.956 0.020 2 1391 130 130 LYS HZ H 7.668 0.020 1 1392 130 130 LYS C C 176.566 0.3 1 1393 130 130 LYS CA C 55.164 0.3 1 1394 130 130 LYS CB C 36.424 0.3 1 1395 130 130 LYS N N 109.381 0.3 1 1396 130 130 LYS NZ N 42.394 0.3 1 1397 131 131 VAL H H 9.283 0.020 1 1398 131 131 VAL HG1 H 0.804 0.020 2 1399 131 131 VAL HG2 H 0.953 0.020 2 1400 131 131 VAL C C 178.617 0.3 1 1401 131 131 VAL CA C 65.705 0.3 1 1402 131 131 VAL CB C 35.839 0.3 1 1403 131 131 VAL CG1 C 20.304 0.3 1 1404 131 131 VAL CG2 C 21.769 0.3 1 1405 131 131 VAL N N 110.377 0.3 1 1406 132 132 LYS H H 9.709 0.020 1 1407 132 132 LYS HB2 H 1.687 0.020 2 1408 132 132 LYS HB3 H 1.890 0.020 2 1409 132 132 LYS HG2 H 1.155 0.020 2 1410 132 132 LYS HG3 H 1.258 0.020 2 1411 132 132 LYS HD2 H 1.319 0.020 2 1412 132 132 LYS HD3 H 1.382 0.020 2 1413 132 132 LYS HE2 H 3.053 0.020 2 1414 132 132 LYS HE3 H 3.100 0.020 2 1415 132 132 LYS HZ H 7.228 0.020 1 1416 132 132 LYS C C 176.273 0.3 1 1417 132 132 LYS CA C 59.849 0.3 1 1418 132 132 LYS CB C 35.253 0.3 1 1419 132 132 LYS N N 110.310 0.3 1 1420 132 132 LYS NZ N 49.592 0.3 1 1421 133 133 ALA H H 6.322 0.020 1 1422 133 133 ALA HB H 1.335 0.020 1 1423 133 133 ALA CA C 51.065 0.3 1 1424 133 133 ALA CB C 12.999 0.3 1 1425 133 133 ALA N N 134.349 0.3 1 1426 134 134 LYS H H 6.549 0.020 1 1427 134 134 LYS HB2 H 1.828 0.020 2 1428 134 134 LYS HB3 H 2.000 0.020 2 1429 134 134 LYS HG2 H 1.233 0.020 2 1430 134 134 LYS HG3 H 1.288 0.020 2 1431 134 134 LYS HD2 H 1.343 0.020 2 1432 134 134 LYS HD3 H 1.648 0.020 2 1433 134 134 LYS HE2 H 2.892 0.020 2 1434 134 134 LYS HE3 H 2.931 0.020 2 1435 134 134 LYS HZ H 7.404 0.020 1 1436 134 134 LYS C C 176.859 0.3 1 1437 134 134 LYS CA C 55.750 0.3 1 1438 134 134 LYS CB C 54.579 0.3 1 1439 134 134 LYS N N 117.615 0.3 1 1440 134 134 LYS NZ N 49.302 0.3 1 1441 135 135 SER H H 7.840 0.020 1 1442 135 135 SER HB2 H 3.845 0.020 2 1443 135 135 SER HB3 H 3.868 0.020 2 1444 135 135 SER C C 173.635 0.3 1 1445 135 135 SER CA C 56.336 0.3 1 1446 135 135 SER CB C 63.949 0.3 1 1447 135 135 SER N N 109.314 0.3 1 1448 136 136 ILE H H 8.098 0.020 1 1449 136 136 ILE HG12 H 1.262 0.020 2 1450 136 136 ILE HG13 H 1.184 0.020 2 1451 136 136 ILE HG2 H 0.979 0.020 1 1452 136 136 ILE HD1 H 0.682 0.020 1 1453 136 136 ILE C C 175.100 0.3 1 1454 136 136 ILE CA C 68.634 0.3 1 1455 136 136 ILE CB C 43.452 0.3 1 1456 136 136 ILE CG1 C 27.044 0.3 1 1457 136 136 ILE CG2 C 17.667 0.3 1 1458 136 136 ILE CD1 C 14.443 0.3 1 1459 136 136 ILE N N 124.123 0.3 1 1460 137 137 VAL H H 7.711 0.020 1 1461 137 137 VAL HG1 H 0.774 0.020 2 1462 137 137 VAL HG2 H 0.829 0.020 2 1463 137 137 VAL C C 176.859 0.3 1 1464 137 137 VAL CA C 64.534 0.3 1 1465 137 137 VAL CB C 34.082 0.3 1 1466 137 137 VAL CG1 C 20.011 0.3 1 1467 137 137 VAL CG2 C 20.890 0.3 1 1468 137 137 VAL N N 113.232 0.3 1 1469 138 138 PHE H H 8.317 0.020 1 1470 138 138 PHE HB2 H 3.038 0.020 2 1471 138 138 PHE HB3 H 3.085 0.020 2 1472 138 138 PHE HD1 H 7.022 0.020 3 1473 138 138 PHE HD2 H 7.071 0.020 3 1474 138 138 PHE HE1 H 7.100 0.020 3 1475 138 138 PHE HE2 H 7.169 0.020 3 1476 138 138 PHE HZ H 6.973 0.020 1 1477 138 138 PHE C C 175.393 0.3 1 1478 138 138 PHE CA C 58.092 0.3 1 1479 138 138 PHE CB C 39.353 0.3 1 1480 138 138 PHE CD1 C 132.318 0.3 1 1481 138 138 PHE CD2 C 133.490 0.3 1 1482 138 138 PHE CE1 C 130.853 0.3 1 1483 138 138 PHE CE2 C 131.732 0.3 1 1484 138 138 PHE CZ C 128.802 0.3 1 1485 138 138 PHE N N 118.279 0.3 1 1486 139 139 HIS H H 8.016 0.020 1 1487 139 139 HIS HB2 H 3.195 0.020 2 1488 139 139 HIS HB3 H 3.297 0.020 2 1489 139 139 HIS HD1 H 10.687 0.020 1 1490 139 139 HIS HD2 H 7.409 0.020 1 1491 139 139 HIS HE1 H 7.996 0.020 1 1492 139 139 HIS HE2 H 11.493 0.020 1 1493 139 139 HIS C C 175.979 0.3 1 1494 139 139 HIS CA C 53.993 0.3 1 1495 139 139 HIS CB C 28.811 0.3 1 1496 139 139 HIS CD2 C 116.494 0.3 1 1497 139 139 HIS CE1 C 131.146 0.3 1 1498 139 139 HIS N N 107.654 0.3 1 1499 139 139 HIS ND1 N 204.849 0.3 1 1500 139 139 HIS NE2 N 189.303 0.3 1 1501 140 140 ARG H H 8.763 0.020 1 1502 140 140 ARG HB2 H 1.836 0.020 2 1503 140 140 ARG HB3 H 1.976 0.020 2 1504 140 140 ARG HG2 H 1.327 0.020 2 1505 140 140 ARG HG3 H 1.671 0.020 2 1506 140 140 ARG HD2 H 3.061 0.020 2 1507 140 140 ARG HD3 H 3.108 0.020 2 1508 140 140 ARG HE H 7.462 0.020 1 1509 140 140 ARG HH11 H 6.885 0.020 1 1510 140 140 ARG HH12 H 6.963 0.020 1 1511 140 140 ARG HH21 H 6.778 0.020 1 1512 140 140 ARG HH22 H 6.739 0.020 1 1513 140 140 ARG C C 176.859 0.3 1 1514 140 140 ARG CA C 57.507 0.3 1 1515 140 140 ARG CB C 31.739 0.3 1 1516 140 140 ARG CZ C 160.742 0.3 1 1517 140 140 ARG N N 117.084 0.3 1 1518 140 140 ARG NE N 90.294 0.3 1 1519 140 140 ARG NH1 N 78.393 0.3 1 1520 140 140 ARG NH2 N 78.484 0.3 1 1521 141 141 LYS H H 7.449 0.020 1 1522 141 141 LYS HB2 H 1.735 0.020 2 1523 141 141 LYS HB3 H 1.807 0.020 2 1524 141 141 LYS HG2 H 1.311 0.020 2 1525 141 141 LYS HG3 H 1.515 0.020 2 1526 141 141 LYS HD2 H 1.538 0.020 2 1527 141 141 LYS HD3 H 1.625 0.020 2 1528 141 141 LYS HE2 H 2.834 0.020 2 1529 141 141 LYS HE3 H 2.968 0.020 2 1530 141 141 LYS HZ H 7.306 0.020 1 1531 141 141 LYS C C 173.635 0.3 1 1532 141 141 LYS CA C 58.092 0.3 1 1533 141 141 LYS CB C 33.496 0.3 1 1534 141 141 LYS N N 115.623 0.3 1 1535 141 141 LYS NZ N 49.238 0.3 1 1536 142 142 LYS H H 8.982 0.020 1 1537 142 142 LYS HB2 H 1.679 0.020 2 1538 142 142 LYS HB3 H 1.922 0.020 2 1539 142 142 LYS HG2 H 1.233 0.020 2 1540 142 142 LYS HG3 H 1.351 0.020 2 1541 142 142 LYS HD2 H 1.523 0.020 2 1542 142 142 LYS HD3 H 1.570 0.020 2 1543 142 142 LYS HE2 H 2.991 0.020 2 1544 142 142 LYS HE3 H 3.092 0.020 2 1545 142 142 LYS HZ H 7.355 0.020 1 1546 142 142 LYS C C 175.979 0.3 1 1547 142 142 LYS CA C 51.065 0.3 1 1548 142 142 LYS CB C 34.668 0.3 1 1549 142 142 LYS N N 114.162 0.3 1 1550 142 142 LYS NZ N 49.223 0.3 1 1551 143 143 ASN H H 7.402 0.020 1 1552 143 143 ASN HB2 H 2.870 0.020 2 1553 143 143 ASN HB3 H 2.932 0.020 2 1554 143 143 ASN HD21 H 7.384 0.020 1 1555 143 143 ASN HD22 H 7.140 0.020 1 1556 143 143 ASN C C 175.100 0.3 1 1557 143 143 ASN CA C 53.407 0.3 1 1558 143 143 ASN CB C 39.938 0.3 1 1559 143 143 ASN N N 112.103 0.3 1 1560 143 143 ASN ND2 N 129.293 0.3 1 1561 144 144 LEU H H 7.793 0.020 1 1562 144 144 LEU HB2 H 1.632 0.020 2 1563 144 144 LEU HB3 H 1.986 0.020 2 1564 144 144 LEU HD1 H 0.635 0.020 2 1565 144 144 LEU HD2 H 0.713 0.020 2 1566 144 144 LEU CA C 53.993 0.3 1 1567 144 144 LEU CB C 42.866 0.3 1 1568 144 144 LEU CD1 C 25.285 0.3 1 1569 144 144 LEU CD2 C 25.871 0.3 1 1570 144 144 LEU N N 118.810 0.3 1 1571 145 145 GLN H H 7.014 0.020 1 1572 145 145 GLN HB2 H 1.884 0.020 2 1573 145 145 GLN HB3 H 2.001 0.020 2 1574 145 145 GLN HG2 H 2.183 0.020 2 1575 145 145 GLN HG3 H 2.214 0.020 2 1576 145 145 GLN HE21 H 7.345 0.020 1 1577 145 145 GLN HE22 H 6.797 0.020 1 1578 145 145 GLN C C 176.859 0.3 1 1579 145 145 GLN CA C 55.164 0.3 1 1580 145 145 GLN CB C 29.983 0.3 1 1581 145 145 GLN N N 119.607 0.3 1 1582 145 145 GLN NE2 N 111.029 0.3 1 1583 146 146 TYR H H 9.350 0.020 1 1584 146 146 TYR HB2 H 3.000 0.020 2 1585 146 146 TYR HB3 H 3.053 0.020 2 1586 146 146 TYR HD1 H 6.866 0.020 3 1587 146 146 TYR HD2 H 6.963 0.020 3 1588 146 146 TYR HE1 H 6.690 0.020 3 1589 146 146 TYR HE2 H 6.709 0.020 3 1590 146 146 TYR HH H 9.213 0.020 1 1591 146 146 TYR C C 174.807 0.3 1 1592 146 146 TYR CA C 62.777 0.3 1 1593 146 146 TYR CB C 41.109 0.3 1 1594 146 146 TYR CD1 C 132.025 0.3 1 1595 146 146 TYR CD2 C 132.904 0.3 1 1596 146 146 TYR CE1 C 118.253 0.3 1 1597 146 146 TYR CE2 C 118.839 0.3 1 1598 146 146 TYR CZ C 154.881 0.3 1 1599 146 146 TYR N N 119.275 0.3 1 1600 147 147 TYR H H 8.340 0.020 1 1601 147 147 TYR HB2 H 2.860 0.020 2 1602 147 147 TYR HB3 H 2.907 0.020 2 1603 147 147 TYR HD1 H 6.954 0.020 3 1604 147 147 TYR HD2 H 6.934 0.020 3 1605 147 147 TYR HE1 H 6.709 0.020 3 1606 147 147 TYR HE2 H 6.690 0.020 3 1607 147 147 TYR HH H 9.291 0.020 1 1608 147 147 TYR C C 177.738 0.3 1 1609 147 147 TYR CA C 58.092 0.3 1 1610 147 147 TYR CB C 39.938 0.3 1 1611 147 147 TYR CD1 C 130.267 0.3 1 1612 147 147 TYR CD2 C 132.904 0.3 1 1613 147 147 TYR CE1 C 117.667 0.3 1 1614 147 147 TYR CE2 C 116.494 0.3 1 1615 147 147 TYR CZ C 154.588 0.3 1 1616 147 147 TYR N N 123.658 0.3 1 1617 148 148 ASP H H 8.911 0.020 1 1618 148 148 ASP HB2 H 2.624 0.020 2 1619 148 148 ASP HB3 H 2.820 0.020 2 1620 148 148 ASP C C 176.859 0.3 1 1621 148 148 ASP CA C 54.579 0.3 1 1622 148 148 ASP CB C 41.109 0.3 1 1623 148 148 ASP N N 121.267 0.3 1 1624 149 149 ILE H H 8.712 0.020 1 1625 149 149 ILE HG12 H 1.202 0.020 2 1626 149 149 ILE HG13 H 1.202 0.020 2 1627 149 149 ILE HG2 H 0.884 0.020 1 1628 149 149 ILE HD1 H 0.767 0.020 1 1629 149 149 ILE C C 174.807 0.3 1 1630 149 149 ILE CA C 61.020 0.3 1 1631 149 149 ILE CB C 39.353 0.3 1 1632 149 149 ILE CG1 C 27.337 0.3 1 1633 149 149 ILE CG2 C 16.494 0.3 1 1634 149 149 ILE CD1 C 12.978 0.3 1 1635 149 149 ILE N N 119.607 0.3 1 1636 150 150 SER H H 8.454 0.020 1 1637 150 150 SER HB2 H 3.696 0.020 2 1638 150 150 SER HB3 H 3.946 0.020 2 1639 150 150 SER C C 175.686 0.3 1 1640 150 150 SER CA C 60.435 0.3 1 1641 150 150 SER CB C 62.192 0.3 1 1642 150 150 SER N N 117.349 0.3 1 1643 151 151 ALA H H 10.640 0.020 1 1644 151 151 ALA HB H 1.200 0.020 1 1645 151 151 ALA C C 160.742 0.3 1 1646 151 151 ALA CA C 53.993 0.3 1 1647 151 151 ALA CB C 22.369 0.3 1 1648 151 151 ALA N N 131.162 0.3 1 1649 152 152 LYS H H 9.099 0.020 1 1650 152 152 LYS HB2 H 1.945 0.020 2 1651 152 152 LYS HB3 H 1.969 0.020 2 1652 152 152 LYS HG2 H 1.274 0.020 2 1653 152 152 LYS HG3 H 1.289 0.020 2 1654 152 152 LYS HD2 H 1.344 0.020 2 1655 152 152 LYS HD3 H 1.430 0.020 2 1656 152 152 LYS HE2 H 3.163 0.020 2 1657 152 152 LYS HE3 H 3.186 0.020 2 1658 152 152 LYS HZ H 7.462 0.020 1 1659 152 152 LYS C C 174.221 0.3 1 1660 152 152 LYS CA C 59.849 0.3 1 1661 152 152 LYS CB C 34.668 0.3 1 1662 152 152 LYS N N 121.400 0.3 1 1663 152 152 LYS NZ N 49.220 0.3 1 1664 153 153 SER H H 8.935 0.020 1 1665 153 153 SER HB2 H 4.155 0.020 1 1666 153 153 SER HB3 H 4.155 0.020 1 1667 153 153 SER C C 177.152 0.3 1 1668 153 153 SER CA C 62.192 0.3 1 1669 153 153 SER CB C 66.291 0.3 1 1670 153 153 SER N N 115.212 0.3 1 1671 154 154 ASN H H 7.488 0.020 1 1672 154 154 ASN HB2 H 2.859 0.020 2 1673 154 154 ASN HB3 H 2.929 0.020 2 1674 154 154 ASN HD21 H 7.384 0.020 1 1675 154 154 ASN HD22 H 7.071 0.020 1 1676 154 154 ASN C C 175.979 0.3 1 1677 154 154 ASN CA C 49.894 0.3 1 1678 154 154 ASN CB C 39.353 0.3 1 1679 154 154 ASN N N 119.341 0.3 1 1680 154 154 ASN ND2 N 125.213 0.3 1 1681 155 155 TYR H H 6.486 0.020 1 1682 155 155 TYR HB2 H 2.999 0.020 2 1683 155 155 TYR HB3 H 3.030 0.020 2 1684 155 155 TYR HD1 H 6.885 0.020 3 1685 155 155 TYR HD2 H 6.905 0.020 3 1686 155 155 TYR HE1 H 6.660 0.020 3 1687 155 155 TYR HE2 H 6.699 0.020 3 1688 155 155 TYR HH H 9.183 0.020 1 1689 155 155 TYR C C 173.928 0.3 1 1690 155 155 TYR CA C 56.336 0.3 1 1691 155 155 TYR CB C 37.596 0.3 1 1692 155 155 TYR CD1 C 131.732 0.3 1 1693 155 155 TYR CD2 C 132.904 0.3 1 1694 155 155 TYR CE1 C 117.081 0.3 1 1695 155 155 TYR CE2 C 117.667 0.3 1 1696 155 155 TYR CZ C 155.467 0.3 1 1697 155 155 TYR N N 113.498 0.3 1 1698 156 156 ASN H H 8.352 0.020 1 1699 156 156 ASN HB2 H 2.991 0.020 2 1700 156 156 ASN HB3 H 3.014 0.020 2 1701 156 156 ASN HD21 H 7.433 0.020 1 1702 156 156 ASN HD22 H 6.993 0.020 1 1703 156 156 ASN C C 175.979 0.3 1 1704 156 156 ASN CA C 51.651 0.3 1 1705 156 156 ASN CB C 38.767 0.3 1 1706 156 156 ASN N N 122.396 0.3 1 1707 156 156 ASN ND2 N 119.992 0.3 1 1708 157 157 PHE H H 7.429 0.020 1 1709 157 157 PHE HB2 H 3.186 0.020 2 1710 157 157 PHE HB3 H 3.280 0.020 2 1711 157 157 PHE HD1 H 7.022 0.020 3 1712 157 157 PHE HD2 H 7.091 0.020 3 1713 157 157 PHE HE1 H 7.159 0.020 3 1714 157 157 PHE HE2 H 7.188 0.020 3 1715 157 157 PHE HZ H 6.807 0.020 1 1716 157 157 PHE C C 174.221 0.3 1 1717 157 157 PHE CA C 57.507 0.3 1 1718 157 157 PHE CB C 39.353 0.3 1 1719 157 157 PHE CD1 C 133.197 0.3 1 1720 157 157 PHE CD2 C 133.783 0.3 1 1721 157 157 PHE CE1 C 130.267 0.3 1 1722 157 157 PHE CE2 C 131.732 0.3 1 1723 157 157 PHE CZ C 129.681 0.3 1 1724 157 157 PHE N N 123.459 0.3 1 1725 158 158 GLU H H 7.495 0.020 1 1726 158 158 GLU HB2 H 1.744 0.020 2 1727 158 158 GLU HB3 H 1.870 0.020 2 1728 158 158 GLU HG2 H 2.061 0.020 2 1729 158 158 GLU HG3 H 2.202 0.020 2 1730 158 158 GLU C C 176.566 0.3 1 1731 158 158 GLU CA C 72.147 0.3 1 1732 158 158 GLU CB C 27.640 0.3 1 1733 158 158 GLU N N 112.568 0.3 1 1734 159 159 LYS H H 6.862 0.020 1 1735 159 159 LYS HB2 H 1.790 0.020 2 1736 159 159 LYS HB3 H 1.892 0.020 2 1737 159 159 LYS HG2 H 1.180 0.020 2 1738 159 159 LYS HG3 H 1.258 0.020 2 1739 159 159 LYS HD2 H 1.422 0.020 2 1740 159 159 LYS HD3 H 1.555 0.020 2 1741 159 159 LYS HE2 H 2.906 0.020 2 1742 159 159 LYS HE3 H 2.976 0.020 2 1743 159 159 LYS HZ H 7.364 0.020 1 1744 159 159 LYS C C 176.566 0.3 1 1745 159 159 LYS CA C 53.993 0.3 1 1746 159 159 LYS CB C 33.496 0.3 1 1747 159 159 LYS N N 113.232 0.3 1 1748 159 159 LYS NZ N 42.592 0.3 1 1749 160 160 PRO HB2 H 2.085 0.020 2 1750 160 160 PRO HB3 H 2.227 0.020 2 1751 160 160 PRO HG2 H 1.774 0.020 2 1752 160 160 PRO HG3 H 1.817 0.020 2 1753 160 160 PRO HD2 H 3.641 0.020 2 1754 160 160 PRO HD3 H 3.892 0.020 2 1755 160 160 PRO C C 176.273 0.3 1 1756 160 160 PRO CA C 64.258 0.3 1 1757 160 160 PRO CB C 32.318 0.3 1 1758 160 160 PRO N N 113.099 0.3 1 1759 161 161 PHE H H 8.074 0.020 1 1760 161 161 PHE HB2 H 3.100 0.020 2 1761 161 161 PHE HB3 H 3.163 0.020 2 1762 161 161 PHE HD1 H 7.169 0.020 3 1763 161 161 PHE HD2 H 7.120 0.020 3 1764 161 161 PHE HE1 H 7.100 0.020 3 1765 161 161 PHE HE2 H 7.061 0.020 3 1766 161 161 PHE HZ H 6.924 0.020 1 1767 161 161 PHE C C 175.100 0.3 1 1768 161 161 PHE CA C 56.336 0.3 1 1769 161 161 PHE CB C 39.353 0.3 1 1770 161 161 PHE CD1 C 132.611 0.3 1 1771 161 161 PHE CD2 C 131.146 0.3 1 1772 161 161 PHE CE1 C 137.886 0.3 1 1773 161 161 PHE CE2 C 137.300 0.3 1 1774 161 161 PHE CZ C 129.388 0.3 1 1775 161 161 PHE N N 120.271 0.3 1 1776 162 162 LEU H H 7.527 0.020 1 1777 162 162 LEU HB2 H 1.593 0.020 2 1778 162 162 LEU HB3 H 1.656 0.020 2 1779 162 162 LEU HD1 H 0.804 0.020 2 1780 162 162 LEU HD2 H 0.929 0.020 2 1781 162 162 LEU C C 176.273 0.3 1 1782 162 162 LEU CA C 55.750 0.3 1 1783 162 162 LEU CB C 44.037 0.3 1 1784 162 162 LEU CD1 C 22.648 0.3 1 1785 162 162 LEU CD2 C 24.113 0.3 1 1786 162 162 LEU N N 110.177 0.3 1 1787 163 163 TRP H H 7.476 0.020 1 1788 163 163 TRP HB2 H 2.991 0.020 2 1789 163 163 TRP HB3 H 3.233 0.020 2 1790 163 163 TRP HD1 H 7.188 0.020 1 1791 163 163 TRP HE1 H 10.024 0.020 1 1792 163 163 TRP HE3 H 7.335 0.020 1 1793 163 163 TRP HZ2 H 7.257 0.020 1 1794 163 163 TRP HZ3 H 6.827 0.020 1 1795 163 163 TRP HH2 H 6.924 0.020 1 1796 163 163 TRP C C 177.152 0.3 1 1797 163 163 TRP CA C 61.606 0.3 1 1798 163 163 TRP CB C 28.811 0.3 1 1799 163 163 TRP CD1 C 127.044 0.3 1 1800 163 163 TRP CD2 C 128.509 0.3 1 1801 163 163 TRP CE2 C 138.472 0.3 1 1802 163 163 TRP CE3 C 120.304 0.3 1 1803 163 163 TRP CZ2 C 114.443 0.3 1 1804 163 163 TRP CZ3 C 121.183 0.3 1 1805 163 163 TRP CH2 C 123.820 0.3 1 1806 163 163 TRP N N 123.525 0.3 1 1807 163 163 TRP NE1 N 132.993 0.3 1 1808 164 164 LEU H H 9.412 0.020 1 1809 164 164 LEU HB2 H 1.937 0.020 2 1810 164 164 LEU HB3 H 1.961 0.020 2 1811 164 164 LEU HD1 H 0.751 0.020 2 1812 164 164 LEU HD2 H 0.836 0.020 2 1813 164 164 LEU C C 175.686 0.3 1 1814 164 164 LEU CA C 61.020 0.3 1 1815 164 164 LEU CB C 45.794 0.3 1 1816 164 164 LEU CD1 C 22.941 0.3 1 1817 164 164 LEU CD2 C 23.527 0.3 1 1818 164 164 LEU N N 119.740 0.3 1 1819 165 165 ALA H H 7.707 0.020 1 1820 165 165 ALA HB H 1.241 0.020 1 1821 165 165 ALA C C 165.723 0.3 1 1822 165 165 ALA CA C 52.236 0.3 1 1823 165 165 ALA CB C 21.784 0.3 1 1824 165 165 ALA N N 118.013 0.3 1 1825 166 166 ARG H H 8.692 0.020 1 1826 166 166 ARG HB2 H 1.868 0.020 2 1827 166 166 ARG HB3 H 1.945 0.020 2 1828 166 166 ARG HG2 H 1.499 0.020 2 1829 166 166 ARG HG3 H 1.570 0.020 2 1830 166 166 ARG HD2 H 3.092 0.020 2 1831 166 166 ARG HD3 H 3.139 0.020 2 1832 166 166 ARG HH11 H 6.875 0.020 1 1833 166 166 ARG HH12 H 6.915 0.020 1 1834 166 166 ARG HH21 H 6.797 0.020 1 1835 166 166 ARG HH22 H 6.748 0.020 1 1836 166 166 ARG C C 175.979 0.3 1 1837 166 166 ARG CA C 49.308 0.3 1 1838 166 166 ARG CB C 29.397 0.3 1 1839 166 166 ARG CZ C 159.570 0.3 1 1840 166 166 ARG N N 122.994 0.3 1 1841 166 166 ARG NE N 89.393 0.3 1 1842 166 166 ARG NH1 N 77.392 0.3 1 1843 166 166 ARG NH2 N 77.827 0.3 1 1844 167 167 LYS H H 6.819 0.020 1 1845 167 167 LYS HB2 H 1.546 0.020 2 1846 167 167 LYS HB3 H 1.898 0.020 2 1847 167 167 LYS HG2 H 1.264 0.020 2 1848 167 167 LYS HG3 H 1.327 0.020 2 1849 167 167 LYS HD2 H 1.413 0.020 2 1850 167 167 LYS HD3 H 1.507 0.020 2 1851 167 167 LYS HE2 H 2.999 0.020 2 1852 167 167 LYS HE3 H 3.178 0.020 2 1853 167 167 LYS HZ H 7.316 0.020 1 1854 167 167 LYS C C 176.273 0.3 1 1855 167 167 LYS CA C 58.092 0.3 1 1856 167 167 LYS CB C 34.668 0.3 1 1857 167 167 LYS N N 112.568 0.3 1 1858 167 167 LYS NZ N 46.773 0.3 1 1859 168 168 LEU H H 7.269 0.020 1 1860 168 168 LEU HB2 H 1.413 0.020 2 1861 168 168 LEU HB3 H 1.929 0.020 2 1862 168 168 LEU HD1 H 0.939 0.020 2 1863 168 168 LEU HD2 H 0.993 0.020 2 1864 168 168 LEU C C 177.738 0.3 1 1865 168 168 LEU CA C 56.921 0.3 1 1866 168 168 LEU CB C 41.695 0.3 1 1867 168 168 LEU CD1 C 23.234 0.3 1 1868 168 168 LEU CD2 C 24.992 0.3 1 1869 168 168 LEU N N 114.959 0.3 1 1870 169 169 ILE H H 8.915 0.020 1 1871 169 169 ILE HG12 H 1.262 0.020 2 1872 169 169 ILE HG13 H 1.154 0.020 2 1873 169 169 ILE HG2 H 0.986 0.020 1 1874 169 169 ILE HD1 H 0.796 0.020 1 1875 169 169 ILE C C 171.877 0.3 1 1876 169 169 ILE CA C 68.048 0.3 1 1877 169 169 ILE CB C 39.353 0.3 1 1878 169 169 ILE CG1 C 27.630 0.3 1 1879 169 169 ILE CG2 C 17.960 0.3 1 1880 169 169 ILE CD1 C 12.392 0.3 1 1881 169 169 ILE N N 124.986 0.3 1 1882 170 170 GLY H H 6.686 0.020 1 1883 170 170 GLY HA2 H 4.022 0.020 2 1884 170 170 GLY HA3 H 3.822 0.020 2 1885 170 170 GLY C C 162.496 0.3 1 1886 170 170 GLY CA C 44.037 0.3 1 1887 170 170 GLY N N 113.099 0.3 1 1888 171 171 ASP H H 6.815 0.020 1 1889 171 171 ASP HB2 H 2.609 0.020 2 1890 171 171 ASP HB3 H 2.820 0.020 2 1891 171 171 ASP C C 178.910 0.3 1 1892 171 171 ASP CA C 50.479 0.3 1 1893 171 171 ASP CB C 41.109 0.3 1 1894 171 171 ASP N N 113.232 0.3 1 1895 172 172 PRO HB2 H 2.272 0.020 2 1896 172 172 PRO HB3 H 2.288 0.020 2 1897 172 172 PRO HG2 H 2.006 0.020 2 1898 172 172 PRO HG3 H 2.045 0.020 2 1899 172 172 PRO HD2 H 3.563 0.020 2 1900 172 172 PRO HD3 H 3.806 0.020 2 1901 172 172 PRO C C 176.566 0.3 1 1902 172 172 PRO CA C 63.965 0.3 1 1903 172 172 PRO CB C 31.732 0.3 1 1904 172 172 PRO N N 120.802 0.3 1 1905 173 173 ASN H H 8.016 0.020 1 1906 173 173 ASN HB2 H 2.468 0.020 2 1907 173 173 ASN HB3 H 2.546 0.020 2 1908 173 173 ASN HD21 H 7.208 0.020 1 1909 173 173 ASN HD22 H 7.188 0.020 1 1910 173 173 ASN C C 175.979 0.3 1 1911 173 173 ASN CA C 54.579 0.3 1 1912 173 173 ASN CB C 36.424 0.3 1 1913 173 173 ASN N N 109.779 0.3 1 1914 173 173 ASN ND2 N 113.295 0.3 1 1915 174 174 LEU H H 7.871 0.020 1 1916 174 174 LEU HB2 H 1.499 0.020 2 1917 174 174 LEU HB3 H 1.828 0.020 2 1918 174 174 LEU HD1 H 0.851 0.020 2 1919 174 174 LEU HD2 H 0.945 0.020 2 1920 174 174 LEU C C 176.566 0.3 1 1921 174 174 LEU CA C 56.336 0.3 1 1922 174 174 LEU CB C 44.037 0.3 1 1923 174 174 LEU CD1 C 22.355 0.3 1 1924 174 174 LEU CD2 C 22.941 0.3 1 1925 174 174 LEU N N 109.248 0.3 1 1926 175 175 GLU H H 9.127 0.020 1 1927 175 175 GLU HB2 H 1.969 0.020 2 1928 175 175 GLU HB3 H 1.837 0.020 2 1929 175 175 GLU HG2 H 2.219 0.020 2 1930 175 175 GLU HG3 H 2.282 0.020 2 1931 175 175 GLU C C 177.445 0.3 1 1932 175 175 GLU CA C 76.247 0.3 1 1933 175 175 GLU CB C 28.811 0.3 1 1934 175 175 GLU N N 125.185 0.3 1 1935 176 176 PHE H H 10.058 0.020 1 1936 176 176 PHE HB2 H 3.210 0.020 1 1937 176 176 PHE HB3 H 3.210 0.020 1 1938 176 176 PHE HD1 H 7.206 0.020 3 1939 176 176 PHE HD2 H 7.347 0.020 3 1940 176 176 PHE HE1 H 7.488 0.020 3 1941 176 176 PHE HE2 H 7.683 0.020 3 1942 176 176 PHE HZ H 7.801 0.020 1 1943 176 176 PHE C C 178.617 0.3 1 1944 176 176 PHE CA C 59.264 0.3 1 1945 176 176 PHE CB C 44.623 0.3 1 1946 176 176 PHE CD1 C 130.560 0.3 1 1947 176 176 PHE CD2 C 131.146 0.3 1 1948 176 176 PHE CE1 C 132.025 0.3 1 1949 176 176 PHE CE2 C 132.904 0.3 1 1950 176 176 PHE CZ C 134.369 0.3 1 1951 176 176 PHE N N 136.873 0.3 1 1952 177 177 VAL H H 7.789 0.020 1 1953 177 177 VAL HG1 H 0.877 0.020 2 1954 177 177 VAL HG2 H 0.924 0.020 2 1955 177 177 VAL C C 177.445 0.3 1 1956 177 177 VAL CA C 62.777 0.3 1 1957 177 177 VAL CB C 34.668 0.3 1 1958 177 177 VAL CG1 C 20.890 0.3 1 1959 177 177 VAL CG2 C 22.648 0.3 1 1960 177 177 VAL N N 118.877 0.3 1 1961 178 178 ALA H H 7.566 0.020 1 1962 178 178 ALA CA C 57.507 0.3 1 1963 178 178 ALA CB C 19.441 0.3 1 1964 178 178 ALA N N 128.904 0.3 1 1965 179 179 MET H H 7.930 0.020 1 1966 179 179 MET HB2 H 1.956 0.020 2 1967 179 179 MET HB3 H 1.820 0.020 2 1968 179 179 MET HG2 H 2.180 0.020 2 1969 179 179 MET HG3 H 2.266 0.020 2 1970 179 179 MET C C 176.859 0.3 1 1971 179 179 MET CA C 56.336 0.3 1 1972 179 179 MET CB C 34.668 0.3 1 1973 179 179 MET N N 120.736 0.3 1 1974 180 180 PRO HB2 H 2.102 0.020 2 1975 180 180 PRO HB3 H 2.195 0.020 2 1976 180 180 PRO HG2 H 1.830 0.020 2 1977 180 180 PRO HG3 H 2.016 0.020 2 1978 180 180 PRO HD2 H 3.469 0.020 2 1979 180 180 PRO HD3 H 3.665 0.020 2 1980 180 180 PRO C C 177.445 0.3 1 1981 180 180 PRO CA C 64.844 0.3 1 1982 180 180 PRO CB C 29.974 0.3 1 1983 180 180 PRO N N 112.236 0.3 1 1984 181 181 ALA H H 8.673 0.020 1 1985 181 181 ALA HB H 1.225 0.020 1 1986 181 181 ALA C C 176.273 0.3 1 1987 181 181 ALA CA C 58.092 0.3 1 1988 181 181 ALA CB C 21.198 0.3 1 1989 181 181 ALA N N 128.439 0.3 1 1990 182 182 LEU H H 8.821 0.020 1 1991 182 182 LEU HB2 H 1.476 0.020 2 1992 182 182 LEU HB3 H 1.626 0.020 2 1993 182 182 LEU HD1 H 0.868 0.020 2 1994 182 182 LEU HD2 H 0.923 0.020 2 1995 182 182 LEU C C 177.445 0.3 1 1996 182 182 LEU CA C 55.164 0.3 1 1997 182 182 LEU CB C 42.866 0.3 1 1998 182 182 LEU CD1 C 24.113 0.3 1 1999 182 182 LEU CD2 C 24.699 0.3 1 2000 182 182 LEU N N 122.130 0.3 1 2001 183 183 ALA H H 7.621 0.020 1 2002 183 183 ALA HB H 1.257 0.020 1 2003 183 183 ALA C C 160.742 0.3 1 2004 183 183 ALA CA C 51.651 0.3 1 2005 183 183 ALA CB C 18.856 0.3 1 2006 183 183 ALA N N 108.783 0.3 1 2007 184 184 PRO HB2 H 2.163 0.020 2 2008 184 184 PRO HB3 H 2.237 0.020 2 2009 184 184 PRO HG2 H 1.992 0.020 2 2010 184 184 PRO HG3 H 2.006 0.020 2 2011 184 184 PRO HD2 H 3.870 0.020 2 2012 184 184 PRO HD3 H 3.893 0.020 2 2013 184 184 PRO C C 177.152 0.3 1 2014 184 184 PRO CA C 64.258 0.3 1 2015 184 184 PRO CB C 29.681 0.3 1 2016 184 184 PRO N N 117.482 0.3 1 2017 185 185 PRO HB2 H 2.233 0.020 2 2018 185 185 PRO HB3 H 2.272 0.020 2 2019 185 185 PRO HG2 H 1.843 0.020 2 2020 185 185 PRO HG3 H 1.932 0.020 2 2021 185 185 PRO HD2 H 3.695 0.020 2 2022 185 185 PRO HD3 H 3.836 0.020 2 2023 185 185 PRO C C 175.686 0.3 1 2024 185 185 PRO CA C 63.379 0.3 1 2025 185 185 PRO CB C 35.248 0.3 1 2026 185 185 PRO N N 116.220 0.3 1 2027 186 186 GLU H H 8.673 0.020 1 2028 186 186 GLU HB2 H 2.006 0.020 2 2029 186 186 GLU HB3 H 2.092 0.020 2 2030 186 186 GLU HG2 H 2.186 0.020 2 2031 186 186 GLU HG3 H 2.272 0.020 2 2032 186 186 GLU C C 174.221 0.3 1 2033 186 186 GLU CA C 57.507 0.3 1 2034 186 186 GLU CB C 31.739 0.3 1 2035 186 186 GLU CD C 178.910 0.3 1 2036 186 186 GLU N N 104.931 0.3 1 2037 187 187 VAL H H 8.622 0.020 1 2038 187 187 VAL HG1 H 0.914 0.020 2 2039 187 187 VAL HG2 H 0.961 0.020 2 2040 187 187 VAL C C 178.910 0.3 1 2041 187 187 VAL CA C 63.363 0.3 1 2042 187 187 VAL CB C 34.082 0.3 1 2043 187 187 VAL CG1 C 20.304 0.3 1 2044 187 187 VAL CG2 C 21.183 0.3 1 2045 187 187 VAL N N 124.455 0.3 1 2046 188 188 VAL H H 8.497 0.020 1 2047 188 188 VAL HG1 H 0.820 0.020 2 2048 188 188 VAL HG2 H 0.922 0.020 2 2049 188 188 VAL C C 178.324 0.3 1 2050 188 188 VAL CA C 68.634 0.3 1 2051 188 188 VAL CB C 31.154 0.3 1 2052 188 188 VAL CG1 C 21.476 0.3 1 2053 188 188 VAL CG2 C 22.648 0.3 1 2054 188 188 VAL N N 128.572 0.3 1 2055 189 189 MET H H 6.991 0.020 1 2056 189 189 MET HB2 H 1.992 0.020 2 2057 189 189 MET HB3 H 2.120 0.020 2 2058 189 189 MET HG2 H 2.202 0.020 2 2059 189 189 MET HG3 H 2.280 0.020 2 2060 189 189 MET C C 177.445 0.3 1 2061 189 189 MET CA C 55.164 0.3 1 2062 189 189 MET CB C 35.253 0.3 1 2063 189 189 MET N N 122.795 0.3 1 2064 190 190 ASP H H 7.210 0.020 1 2065 190 190 ASP HB2 H 2.485 0.020 2 2066 190 190 ASP HB3 H 2.587 0.020 2 2067 190 190 ASP C C 175.686 0.3 1 2068 190 190 ASP CA C 51.065 0.3 1 2069 190 190 ASP CB C 41.695 0.3 1 2070 190 190 ASP N N 114.959 0.3 1 2071 191 191 PRO HB2 H 2.361 0.020 2 2072 191 191 PRO HB3 H 2.444 0.020 2 2073 191 191 PRO HG2 H 1.900 0.020 2 2074 191 191 PRO HG3 H 1.923 0.020 2 2075 191 191 PRO HD2 H 3.530 0.020 2 2076 191 191 PRO HD3 H 3.836 0.020 2 2077 191 191 PRO C C 176.566 0.3 1 2078 191 191 PRO CA C 63.965 0.3 1 2079 191 191 PRO CB C 31.146 0.3 1 2080 191 191 PRO N N 121.400 0.3 1 2081 192 192 ALA H H 7.394 0.020 1 2082 192 192 ALA CA C 53.993 0.3 1 2083 192 192 ALA CB C 19.441 0.3 1 2084 192 192 ALA N N 109.513 0.3 1 2085 193 193 LEU H H 8.340 0.020 1 2086 193 193 LEU HB2 H 1.405 0.020 2 2087 193 193 LEU HB3 H 1.632 0.020 2 2088 193 193 LEU HD1 H 0.666 0.020 2 2089 193 193 LEU HD2 H 0.807 0.020 2 2090 193 193 LEU C C 175.979 0.3 1 2091 193 193 LEU CA C 56.336 0.3 1 2092 193 193 LEU CB C 42.866 0.3 1 2093 193 193 LEU CD1 C 23.820 0.3 1 2094 193 193 LEU CD2 C 24.699 0.3 1 2095 193 193 LEU N N 119.009 0.3 1 2096 194 194 ALA H H 8.176 0.020 1 2097 194 194 ALA HB H 1.249 0.020 1 2098 194 194 ALA C C 166.896 0.3 1 2099 194 194 ALA CA C 55.164 0.3 1 2100 194 194 ALA CB C 16.513 0.3 1 2101 194 194 ALA N N 121.666 0.3 1 2102 195 195 ALA H H 8.364 0.020 1 2103 195 195 ALA HB H 1.358 0.020 1 2104 195 195 ALA C C 173.928 0.3 1 2105 195 195 ALA CA C 57.507 0.3 1 2106 195 195 ALA CB C 19.441 0.3 1 2107 195 195 ALA N N 119.541 0.3 1 2108 196 196 GLN H H 7.910 0.020 1 2109 196 196 GLN HB2 H 1.907 0.020 2 2110 196 196 GLN HB3 H 1.923 0.020 2 2111 196 196 GLN HG2 H 2.108 0.020 2 2112 196 196 GLN HG3 H 2.319 0.020 2 2113 196 196 GLN HE21 H 7.245 0.020 1 2114 196 196 GLN HE22 H 7.042 0.020 1 2115 196 196 GLN C C 176.273 0.3 1 2116 196 196 GLN CA C 56.921 0.3 1 2117 196 196 GLN CB C 29.983 0.3 1 2118 196 196 GLN CD C 178.617 0.3 1 2119 196 196 GLN N N 107.322 0.3 1 2120 196 196 GLN NE2 N 119.200 0.3 1 2121 197 197 TYR H H 8.196 0.020 1 2122 197 197 TYR HB2 H 3.102 0.020 2 2123 197 197 TYR HB3 H 3.172 0.020 2 2124 197 197 TYR HD1 H 6.954 0.020 3 2125 197 197 TYR HD2 H 6.905 0.020 3 2126 197 197 TYR HE1 H 6.719 0.020 3 2127 197 197 TYR HE2 H 6.690 0.020 3 2128 197 197 TYR HH H 9.222 0.020 1 2129 197 197 TYR CA C 67.462 0.3 1 2130 197 197 TYR CB C 41.695 0.3 1 2131 197 197 TYR CD1 C 132.318 0.3 1 2132 197 197 TYR CD2 C 131.439 0.3 1 2133 197 197 TYR CE1 C 117.374 0.3 1 2134 197 197 TYR CE2 C 116.494 0.3 1 2135 197 197 TYR CZ C 156.346 0.3 1 2136 197 197 TYR N N 115.623 0.3 1 2137 198 198 GLU H H 7.523 0.020 1 2138 198 198 GLU HB2 H 1.804 0.020 2 2139 198 198 GLU HB3 H 1.929 0.020 2 2140 198 198 GLU HG2 H 2.094 0.020 2 2141 198 198 GLU HG3 H 2.149 0.020 2 2142 198 198 GLU C C 176.273 0.3 1 2143 198 198 GLU CA C 53.407 0.3 1 2144 198 198 GLU CB C 30.568 0.3 1 2145 198 198 GLU N N 110.244 0.3 1 2146 199 199 HIS H H 8.512 0.020 1 2147 199 199 HIS HB2 H 2.929 0.020 2 2148 199 199 HIS HB3 H 3.036 0.020 2 2149 199 199 HIS HD1 H 10.494 0.020 1 2150 199 199 HIS HD2 H 7.237 0.020 1 2151 199 199 HIS HE1 H 7.873 0.020 1 2152 199 199 HIS HE2 H 11.181 0.020 1 2153 199 199 HIS C C 175.686 0.3 1 2154 199 199 HIS CA C 56.921 0.3 1 2155 199 199 HIS CB C 28.226 0.3 1 2156 199 199 HIS CD2 C 118.253 0.3 1 2157 199 199 HIS CE1 C 139.058 0.3 1 2158 199 199 HIS N N 118.611 0.3 1 2159 199 199 HIS ND1 N 198.848 0.3 1 2160 199 199 HIS NE2 N 182.872 0.3 1 2161 200 200 ASP H H 7.519 0.020 1 2162 200 200 ASP HB2 H 2.502 0.020 2 2163 200 200 ASP HB3 H 2.518 0.020 2 2164 200 200 ASP C C 176.273 0.3 1 2165 200 200 ASP CA C 56.921 0.3 1 2166 200 200 ASP CB C 40.524 0.3 1 2167 200 200 ASP N N 120.736 0.3 1 2168 201 201 LEU H H 7.722 0.020 1 2169 201 201 LEU HB2 H 1.790 0.020 2 2170 201 201 LEU HB3 H 1.907 0.020 2 2171 201 201 LEU HD1 H 0.771 0.020 2 2172 201 201 LEU HD2 H 1.000 0.020 2 2173 201 201 LEU C C 178.910 0.3 1 2174 201 201 LEU CA C 61.606 0.3 1 2175 201 201 LEU CB C 41.109 0.3 1 2176 201 201 LEU CD1 C 21.769 0.3 1 2177 201 201 LEU CD2 C 22.941 0.3 1 2178 201 201 LEU N N 116.353 0.3 1 2179 202 202 GLU H H 8.857 0.020 1 2180 202 202 GLU HB2 H 1.976 0.020 2 2181 202 202 GLU HB3 H 2.092 0.020 2 2182 202 202 GLU HG2 H 2.186 0.020 2 2183 202 202 GLU HG3 H 2.211 0.020 2 2184 202 202 GLU C C 176.566 0.3 1 2185 202 202 GLU CA C 56.921 0.3 1 2186 202 202 GLU CB C 30.568 0.3 1 2187 202 202 GLU N N 118.080 0.3 1 2188 203 203 VAL H H 9.283 0.020 1 2189 203 203 VAL HG1 H 0.870 0.020 2 2190 203 203 VAL HG2 H 0.890 0.020 2 2191 203 203 VAL C C 178.617 0.3 1 2192 203 203 VAL CA C 64.534 0.3 1 2193 203 203 VAL CB C 27.640 0.3 1 2194 203 203 VAL CG1 C 21.476 0.3 1 2195 203 203 VAL CG2 C 22.648 0.3 1 2196 203 203 VAL N N 129.369 0.3 1 2197 204 204 ALA H H 8.528 0.020 1 2198 204 204 ALA HB H 1.203 0.020 1 2199 204 204 ALA C C 176.859 0.3 1 2200 204 204 ALA CA C 54.579 0.3 1 2201 204 204 ALA CB C 18.270 0.3 1 2202 204 204 ALA N N 109.580 0.3 1 2203 205 205 GLN H H 7.973 0.020 1 2204 205 205 GLN HB2 H 1.937 0.020 2 2205 205 205 GLN HB3 H 1.961 0.020 2 2206 205 205 GLN HG2 H 2.233 0.020 2 2207 205 205 GLN HG3 H 2.358 0.020 2 2208 205 205 GLN HE21 H 7.306 0.020 1 2209 205 205 GLN HE22 H 6.993 0.020 1 2210 205 205 GLN C C 175.979 0.3 1 2211 205 205 GLN CA C 48.137 0.3 1 2212 205 205 GLN CB C 25.883 0.3 1 2213 205 205 GLN N N 115.756 0.3 1 2214 205 205 GLN NE2 N 110.492 0.3 1 2215 206 206 THR H H 7.585 0.020 1 2216 206 206 THR HG1 H 5.956 0.020 1 2217 206 206 THR HG2 H 1.227 0.020 1 2218 206 206 THR C C 176.273 0.3 1 2219 206 206 THR CA C 67.462 0.3 1 2220 206 206 THR CB C 70.390 0.3 1 2221 206 206 THR CG2 C 21.476 0.3 1 2222 206 206 THR N N 120.271 0.3 1 2223 207 207 THR H H 7.468 0.020 1 2224 207 207 THR HG1 H 5.986 0.020 1 2225 207 207 THR HG2 H 1.061 0.020 1 2226 207 207 THR C C 176.566 0.3 1 2227 207 207 THR CA C 64.534 0.3 1 2228 207 207 THR CB C 72.733 0.3 1 2229 207 207 THR CG2 C 20.597 0.3 1 2230 207 207 THR N N 111.970 0.3 1 2231 208 208 ALA H H 7.390 0.020 1 2232 208 208 ALA HB H 1.249 0.020 1 2233 208 208 ALA C C 168.947 0.3 1 2234 208 208 ALA CA C 55.164 0.3 1 2235 208 208 ALA CB C 22.369 0.3 1 2236 208 208 ALA N N 115.623 0.3 1 2237 209 209 LEU H H 7.652 0.020 1 2238 209 209 LEU HB2 H 1.658 0.020 2 2239 209 209 LEU HB3 H 1.776 0.020 2 2240 209 209 LEU HD1 H 0.907 0.020 2 2241 209 209 LEU HD2 H 0.939 0.020 2 2242 209 209 LEU C C 176.273 0.3 1 2243 209 209 LEU CA C 58.678 0.3 1 2244 209 209 LEU CB C 46.380 0.3 1 2245 209 209 LEU CD1 C 24.113 0.3 1 2246 209 209 LEU CD2 C 24.699 0.3 1 2247 209 209 LEU N N 117.814 0.3 1 2248 210 210 PRO HB2 H 1.868 0.020 2 2249 210 210 PRO HB3 H 1.939 0.020 2 2250 210 210 PRO HG2 H 1.618 0.020 2 2251 210 210 PRO HG3 H 1.696 0.020 2 2252 210 210 PRO HD2 H 3.718 0.020 2 2253 210 210 PRO HD3 H 3.836 0.020 2 2254 210 210 PRO C C 176.566 0.3 1 2255 210 210 PRO CA C 63.086 0.3 1 2256 210 210 PRO CB C 31.146 0.3 1 2257 210 210 PRO N N 113.896 0.3 1 2258 211 211 ASP H H 9.510 0.020 1 2259 211 211 ASP HB2 H 2.476 0.020 2 2260 211 211 ASP HB3 H 2.617 0.020 2 2261 211 211 ASP C C 176.273 0.3 1 2262 211 211 ASP CA C 52.236 0.3 1 2263 211 211 ASP CB C 42.281 0.3 1 2264 211 211 ASP N N 121.134 0.3 1 2265 212 212 GLU H H 8.399 0.020 1 2266 212 212 GLU HB2 H 1.920 0.020 2 2267 212 212 GLU HB3 H 1.960 0.020 2 2268 212 212 GLU HG2 H 2.250 0.020 2 2269 212 212 GLU HG3 H 2.270 0.020 2 2270 212 212 GLU C C 176.273 0.3 1 2271 212 212 GLU CA C 55.164 0.3 1 2272 212 212 GLU CB C 30.568 0.3 1 2273 212 212 GLU N N 131.162 0.3 1 2274 213 213 ASP H H 10.699 0.020 1 2275 213 213 ASP HB2 H 2.770 0.020 2 2276 213 213 ASP HB3 H 2.679 0.020 2 2277 213 213 ASP C C 174.807 0.3 1 2278 213 213 ASP CA C 51.065 0.3 1 2279 213 213 ASP CB C 41.109 0.3 1 2280 213 213 ASP N N 115.822 0.3 1 2281 214 214 ASP H H 7.464 0.020 1 2282 214 214 ASP HB2 H 2.437 0.020 2 2283 214 214 ASP HB3 H 2.554 0.020 2 2284 214 214 ASP C C 178.910 0.3 1 2285 214 214 ASP CA C 54.579 0.3 1 2286 214 214 ASP CB C 39.353 0.3 1 2287 214 214 ASP N N 112.369 0.3 1 2288 215 215 ASP H H 8.301 0.020 1 2289 215 215 ASP HB2 H 2.837 0.020 2 2290 215 215 ASP HB3 H 2.915 0.020 2 2291 215 215 ASP C C 176.859 0.3 1 2292 215 215 ASP CA C 54.579 0.3 1 2293 215 215 ASP CB C 40.524 0.3 1 2294 215 215 ASP N N 127.244 0.3 1 2295 216 216 LEU H H 8.555 0.020 1 2296 216 216 LEU HB2 H 1.532 0.020 2 2297 216 216 LEU HB3 H 1.860 0.020 2 2298 216 216 LEU HD1 H 1.742 0.020 2 2299 216 216 LEU HD2 H 1.843 0.020 2 2300 216 216 LEU C C 176.273 0.3 1 2301 216 216 LEU CA C 56.336 0.3 1 2302 216 216 LEU CB C 43.452 0.3 1 2303 216 216 LEU CD1 C 24.406 0.3 1 2304 216 216 LEU CD2 C 24.992 0.3 1 2305 216 216 LEU N N 114.361 0.3 1 stop_ save_