data_5821 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N and 13C assignments of single-stranded DNA binding domains from the 70 kDa subunit of Human Replication Protein A ; _BMRB_accession_number 5821 _BMRB_flat_file_name bmr5821.str _Entry_type original _Submission_date 2003-06-06 _Accession_date 2003-06-09 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bhattacharya Shibani . . 2 Arunkumar Alphonse I. . 3 Sullivan Shannon L. . 4 Botuyan Maria-Victoria . . 5 Arrowsmith Cheryl H. . 6 Chazin Walter J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 668 "13C chemical shifts" 498 "15N chemical shifts" 116 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-02-11 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 5822 RPA70B 5823 RPA70AB stop_ _Original_release_date 2003-06-09 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: 1H, 13C and 15N assignments of single-stranded DNA binding domains from the 70 kDa subunit of Human Replication Protein A ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 14755166 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bhattacharya Shibani . . 2 Arunkumar Alphonse I. . 3 Sullivan Shannon L. . 4 Botuyan Maria-Victoria . . 5 Arrowsmith Cheryl H. . 6 Chazin Walter J. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 28 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 195 _Page_last 196 _Year 2004 _Details . loop_ _Keyword 'DNA replication' OB-fold 'single-stranded DNA' stop_ save_ ################################## # Molecular system description # ################################## save_system_RPA70A _Saveframe_category molecular_system _Mol_system_name 'RPA70(181-291) ssDNA binding domain' _Abbreviation_common RPA70A _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label RPA70(181-291) $RPA70A stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all disulfide bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_RPA70A _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'single chain biopolymer' _Abbreviation_common RPA70A _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 111 _Mol_residue_sequence ; QSKVVPIASLTPYQSKWTIC ARVTNKSQIRTWSNSRGEGK LFSLELVDESGEIRATAFNE QVDKFFPLIEVNKVYYFSKG TLKIANKQFTAVKNDYEMTF NNETSVMPCED ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 181 GLN 2 182 SER 3 183 LYS 4 184 VAL 5 185 VAL 6 186 PRO 7 187 ILE 8 188 ALA 9 189 SER 10 190 LEU 11 191 THR 12 192 PRO 13 193 TYR 14 194 GLN 15 195 SER 16 196 LYS 17 197 TRP 18 198 THR 19 199 ILE 20 200 CYS 21 201 ALA 22 202 ARG 23 203 VAL 24 204 THR 25 205 ASN 26 206 LYS 27 207 SER 28 208 GLN 29 209 ILE 30 210 ARG 31 211 THR 32 212 TRP 33 213 SER 34 214 ASN 35 215 SER 36 216 ARG 37 217 GLY 38 218 GLU 39 219 GLY 40 220 LYS 41 221 LEU 42 222 PHE 43 223 SER 44 224 LEU 45 225 GLU 46 226 LEU 47 227 VAL 48 228 ASP 49 229 GLU 50 230 SER 51 231 GLY 52 232 GLU 53 233 ILE 54 234 ARG 55 235 ALA 56 236 THR 57 237 ALA 58 238 PHE 59 239 ASN 60 240 GLU 61 241 GLN 62 242 VAL 63 243 ASP 64 244 LYS 65 245 PHE 66 246 PHE 67 247 PRO 68 248 LEU 69 249 ILE 70 250 GLU 71 251 VAL 72 252 ASN 73 253 LYS 74 254 VAL 75 255 TYR 76 256 TYR 77 257 PHE 78 258 SER 79 259 LYS 80 260 GLY 81 261 THR 82 262 LEU 83 263 LYS 84 264 ILE 85 265 ALA 86 266 ASN 87 267 LYS 88 268 GLN 89 269 PHE 90 270 THR 91 271 ALA 92 272 VAL 93 273 LYS 94 274 ASN 95 275 ASP 96 276 TYR 97 277 GLU 98 278 MET 99 279 THR 100 280 PHE 101 281 ASN 102 282 ASN 103 283 GLU 104 284 THR 105 285 SER 106 286 VAL 107 287 MET 108 288 PRO 109 289 CYS 110 290 GLU 111 291 ASP stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 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 5823 'single chain biopolymer' 100.00 242 100.00 100.00 7.61e-60 PDB 1FGU 'Ssdna-Binding Domain Of The Large Subunit Of Replication Protein A' 99.10 252 100.00 100.00 2.29e-59 PDB 1JMC 'Single Stranded Dna-Binding Domain Of Human Replication Protein A Bound To Single Stranded Dna, Rpa70 Subunit, Residues 183-420' 100.00 246 100.00 100.00 6.55e-60 DBJ BAD92969 'replication protein A1, 70kDa variant [Homo sapiens]' 100.00 630 100.00 100.00 5.10e-60 DBJ BAF82393 'unnamed protein product [Homo sapiens]' 100.00 616 100.00 100.00 5.14e-60 DBJ BAG10883 'replication protein A 70 kDa DNA-binding subunit [synthetic construct]' 100.00 616 100.00 100.00 5.01e-60 EMBL CAH92206 'hypothetical protein [Pongo abelii]' 100.00 616 99.10 99.10 7.67e-59 GenBank AAA36584 'replication protein A, 70-kDa subunit' 100.00 616 100.00 100.00 5.14e-60 GenBank AAH18126 'Replication protein A1, 70kDa [Homo sapiens]' 100.00 616 100.00 100.00 5.14e-60 GenBank AAS94324 'replication protein A1, 70kDa [Homo sapiens]' 100.00 616 100.00 100.00 5.14e-60 GenBank EAW90574 'replication protein A1, 70kDa [Homo sapiens]' 100.00 616 100.00 100.00 5.14e-60 REF NP_002936 'replication protein A1, 70kDa [Homo sapiens]' 100.00 616 100.00 100.00 5.14e-60 REF XP_511254 'PREDICTED: replication protein A1, 70kDa [Pan troglodytes]' 100.00 670 100.00 100.00 4.73e-60 SWISS-PROT P27694 ; Replication protein A 70 kDa DNA-binding subunit (RP-A p70) (Replication factor A protein 1) (RF-A protein 1) (Single-stranded DNA-binding protein) ; 100.00 616 100.00 100.00 5.14e-60 SWISS-PROT Q5R7Q4 'Replication protein A 70 kDa DNA-binding subunit (RP-A p70) (Replication factor A protein 1) (RF-A protein 1)' 100.00 616 99.10 99.10 7.67e-59 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $RPA70A 9606 Human Eukaryota Metazoa Homo sapiens 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 $RPA70A 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $RPA70A . mM 0.5 1.0 '[U-15N; U-13C]' tris-d11 20 mM . . . 'Potassium Chloride' 50 mM . . . 'Magnesium Chloride' 10 mM . . . DTT 2 mM . . . 'Sodium Azide' 0.01 % . . . H2O 90 % . . . D2O 10 % . . . stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Saveframe_category software _Name FELIX _Version 2000 _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_CBCANH_1 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _Sample_label . save_ save_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_1H-15N_TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TOCSY' _Sample_label . save_ save_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _Sample_label . save_ save_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_H(CCO)NH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCO)NH-TOCSY _Sample_label . save_ save_(H)C(CO)NH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name (H)C(CO)NH-TOCSY _Sample_label . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.080 . M pH 7.2 0.2 n/a temperature 298 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.25144952 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.10132905 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label CBCANH CBCA(CO)NH HNCA HN(CO)CA HNCO '1H-15N TOCSY' '1H-15N NOESY' HCCH-TOCSY H(CCO)NH-TOCSY (H)C(CO)NH-TOCSY stop_ loop_ _Sample_label $Sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name RPA70(181-291) _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 1 181 1 GLN CA C 56.44 0.50 1 2 181 1 GLN CB C 29.25 0.50 1 3 182 2 SER C C 174.52 0.50 1 4 182 2 SER CA C 58.31 0.50 1 5 182 2 SER CB C 63.94 0.50 1 6 182 2 SER H H 7.90 0.02 1 7 182 2 SER N N 116.25 0.03 1 8 183 3 LYS C C 175.77 0.50 1 9 183 3 LYS CA C 54.66 0.50 1 10 183 3 LYS CB C 32.71 0.50 1 11 183 3 LYS CD C 29.13 0.50 1 12 183 3 LYS CE C 41.47 0.50 1 13 183 3 LYS CG C 25.07 0.50 1 14 183 3 LYS H H 8.02 0.02 1 15 183 3 LYS HA H 4.02 0.05 1 16 183 3 LYS HB2 H 1.71 0.05 1 17 183 3 LYS HB3 H 1.71 0.05 1 18 183 3 LYS HD2 H 1.45 0.05 1 19 183 3 LYS HD3 H 1.45 0.05 1 20 183 3 LYS HE2 H 2.79 0.05 1 21 183 3 LYS HE3 H 2.79 0.05 1 22 183 3 LYS HG2 H 1.17 0.05 2 23 183 3 LYS HG3 H 1.20 0.05 2 24 183 3 LYS N N 123.48 0.03 1 25 184 4 VAL C C 175.06 0.50 1 26 184 4 VAL CA C 59.85 0.50 1 27 184 4 VAL CB C 33.03 0.50 1 28 184 4 VAL CG1 C 22.67 0.50 1 29 184 4 VAL CG2 C 22.67 0.50 1 30 184 4 VAL H H 7.72 0.02 1 31 184 4 VAL HA H 4.14 0.05 1 32 184 4 VAL HB H 1.88 0.05 1 33 184 4 VAL HG1 H 0.84 0.05 1 34 184 4 VAL HG2 H 0.84 0.05 1 35 184 4 VAL N N 121.68 0.03 1 36 185 5 VAL CA C 57.88 0.50 1 37 185 5 VAL CB C 32.56 0.50 1 38 185 5 VAL CG1 C 20.19 0.50 2 39 185 5 VAL CG2 C 22.36 0.50 2 40 185 5 VAL H H 8.83 0.02 1 41 185 5 VAL HA H 4.19 0.05 1 42 185 5 VAL HB H 1.93 0.05 1 43 185 5 VAL HG1 H 0.86 0.05 1 44 185 5 VAL HG2 H 0.86 0.05 1 45 185 5 VAL N N 122.71 0.03 1 46 186 6 PRO C C 178.98 0.50 1 47 186 6 PRO CA C 62.09 0.50 1 48 186 6 PRO CB C 31.55 0.50 1 49 186 6 PRO CD C 49.17 0.50 1 50 186 6 PRO CG C 28.34 0.50 1 51 186 6 PRO HA H 4.23 0.05 1 52 186 6 PRO HB2 H 1.60 0.05 2 53 186 6 PRO HB3 H 2.18 0.05 2 54 186 6 PRO HD2 H 3.23 0.05 2 55 186 6 PRO HD3 H 3.66 0.05 2 56 186 6 PRO HG2 H 1.79 0.05 2 57 186 6 PRO HG3 H 1.86 0.05 2 58 187 7 ILE C C 177.92 0.50 1 59 187 7 ILE CA C 63.29 0.50 1 60 187 7 ILE CB C 37.31 0.50 1 61 187 7 ILE CD1 C 15.21 0.50 1 62 187 7 ILE CG1 C 32.37 0.50 1 63 187 7 ILE CG2 C 18.39 0.50 1 64 187 7 ILE HA H 2.96 0.05 1 65 187 7 ILE HB H 1.30 0.05 1 66 187 7 ILE HD1 H 0.46 0.05 1 67 187 7 ILE HG12 H 0.29 0.05 2 68 187 7 ILE HG13 H 1.55 0.05 2 69 187 7 ILE HG2 H 0.18 0.05 1 70 187 7 ILE H H 10.70 0.02 1 71 187 7 ILE N N 130.86 0.03 1 72 188 8 ALA C C 177.93 0.50 1 73 188 8 ALA CA C 51.84 0.50 1 74 188 8 ALA CB C 20.18 0.50 1 75 188 8 ALA H H 8.72 0.02 1 76 188 8 ALA HA H 3.93 0.05 1 77 188 8 ALA HB H 1.19 0.05 1 78 188 8 ALA N N 120.26 0.03 1 79 189 9 SER C C 174.19 0.50 1 80 189 9 SER CA C 56.56 0.50 1 81 189 9 SER CB C 62.37 0.50 1 82 189 9 SER H H 7.77 0.02 1 83 189 9 SER HA H 4.26 0.05 1 84 189 9 SER HB2 H 3.75 0.05 1 85 189 9 SER HB3 H 3.75 0.05 1 86 189 9 SER N N 113.08 0.03 1 87 190 10 LEU C C 176.38 0.50 1 88 190 10 LEU CA C 53.42 0.50 1 89 190 10 LEU CB C 41.18 0.50 1 90 190 10 LEU CD1 C 22.26 0.50 2 91 190 10 LEU CD2 C 24.41 0.50 2 92 190 10 LEU CG C 26.93 0.50 1 93 190 10 LEU H H 7.25 0.02 1 94 190 10 LEU HA H 3.73 0.05 1 95 190 10 LEU HB2 H 0.41 0.05 2 96 190 10 LEU HB3 H 1.23 0.05 2 97 190 10 LEU HD1 H -0.51 0.05 2 98 190 10 LEU HD2 H -0.34 0.05 2 99 190 10 LEU HG H 1.13 0.05 1 100 190 10 LEU N N 122.92 0.03 1 101 191 11 THR CA C 58.34 0.50 1 102 191 11 THR CB C 70.06 0.50 1 103 191 11 THR CG2 C 22.23 0.50 1 104 191 11 THR H H 7.28 0.02 1 105 191 11 THR HA H 3.90 0.05 1 106 191 11 THR HB H 3.90 0.05 1 107 191 11 THR HG2 H 0.99 0.05 1 108 191 11 THR N N 111.94 0.03 1 109 192 12 PRO C C 175.63 0.50 1 110 192 12 PRO CA C 61.21 0.50 1 111 192 12 PRO CB C 31.79 0.50 1 112 192 12 PRO CD C 49.06 0.50 1 113 192 12 PRO CG C 28.25 0.50 1 114 192 12 PRO HA H 4.00 0.05 1 115 192 12 PRO HB2 H 1.10 0.05 2 116 192 12 PRO HB3 H 1.94 0.05 2 117 192 12 PRO HD2 H 1.99 0.05 2 118 192 12 PRO HD3 H 2.91 0.05 2 119 192 12 PRO HG2 H 0.97 0.05 2 120 192 12 PRO HG3 H 1.45 0.05 2 121 193 13 TYR C C 175.21 0.50 1 122 193 13 TYR CA C 55.40 0.50 1 123 193 13 TYR CB C 37.27 0.50 1 124 193 13 TYR CD1 C 132.77 0.50 1 125 193 13 TYR CD2 C 132.77 0.50 1 126 193 13 TYR CE1 C 119.42 0.50 1 127 193 13 TYR CE2 C 119.42 0.50 1 128 193 13 TYR H H 7.14 0.02 1 129 193 13 TYR HA H 4.32 0.05 1 130 193 13 TYR HB2 H 2.57 0.05 2 131 193 13 TYR HB3 H 3.13 0.05 2 132 193 13 TYR HD1 H 6.97 0.05 1 133 193 13 TYR HD2 H 6.97 0.05 1 134 193 13 TYR HE1 H 6.71 0.05 1 135 193 13 TYR HE2 H 6.71 0.05 1 136 193 13 TYR N N 115.14 0.03 1 137 194 14 GLN CA C 55.53 0.50 1 138 194 14 GLN CB C 30.22 0.50 1 139 194 14 GLN CG C 33.50 0.50 1 140 194 14 GLN H H 7.08 0.02 1 141 194 14 GLN HA H 4.42 0.05 1 142 194 14 GLN HB2 H 1.94 0.05 1 143 194 14 GLN HB3 H 1.94 0.05 1 144 194 14 GLN HG2 H 2.23 0.05 1 145 194 14 GLN HG3 H 2.23 0.05 1 146 194 14 GLN HE21 H 6.72 0.05 2 147 194 14 GLN HE22 H 7.29 0.05 2 148 194 14 GLN N N 120.35 0.03 1 149 194 14 GLN NE2 N 110.94 0.03 1 150 196 16 LYS C C 174.22 0.50 1 151 196 16 LYS CA C 54.91 0.50 1 152 196 16 LYS CB C 31.61 0.50 1 153 196 16 LYS CD C 29.35 0.50 1 154 196 16 LYS CE C 41.49 0.50 1 155 196 16 LYS CG C 25.36 0.50 1 156 196 16 LYS H H 7.99 0.02 1 157 196 16 LYS HA H 4.18 0.05 1 158 196 16 LYS HB2 H 1.59 0.05 1 159 196 16 LYS HB3 H 1.59 0.05 1 160 196 16 LYS HD2 H 1.48 0.05 1 161 196 16 LYS HD3 H 1.48 0.05 1 162 196 16 LYS HE2 H 2.74 0.05 1 163 196 16 LYS HE3 H 2.74 0.05 1 164 196 16 LYS HG2 H 1.23 0.05 1 165 196 16 LYS HG3 H 1.23 0.05 1 166 196 16 LYS N N 122.78 0.03 1 167 197 17 TRP C C 175.22 0.50 1 168 197 17 TRP CA C 53.52 0.50 1 169 197 17 TRP CB C 31.33 0.50 1 170 197 17 TRP CD1 C 128.92 0.50 1 171 197 17 TRP CE3 C 122.16 0.50 1 172 197 17 TRP CH2 C 127.46 0.50 1 173 197 17 TRP CZ2 C 113.08 0.50 1 174 197 17 TRP CZ3 C 122.49 0.50 1 175 197 17 TRP H H 6.86 0.02 1 176 197 17 TRP HA H 4.61 0.05 1 177 197 17 TRP HB2 H 2.80 0.05 2 178 197 17 TRP HB3 H 3.26 0.05 2 179 197 17 TRP HD1 H 6.77 0.05 1 180 197 17 TRP HE1 H 9.88 0.05 1 181 197 17 TRP HE3 H 6.83 0.05 1 182 197 17 TRP HH2 H 6.62 0.05 1 183 197 17 TRP HZ2 H 6.78 0.05 1 184 197 17 TRP HZ3 H 7.11 0.05 1 185 197 17 TRP N N 119.00 0.03 1 186 197 17 TRP NE1 N 130.61 0.03 1 187 198 18 THR C C 172.72 0.50 1 188 198 18 THR CA C 60.22 0.50 1 189 198 18 THR CB C 68.76 0.50 1 190 198 18 THR CG2 C 23.12 0.50 1 191 198 18 THR H H 7.63 0.02 1 192 198 18 THR HA H 5.17 0.05 1 193 198 18 THR HB H 3.72 0.05 1 194 198 18 THR HG2 H 1.10 0.05 1 195 198 18 THR N N 117.49 0.03 1 196 199 19 ILE C C 174.52 0.50 1 197 199 19 ILE CA C 57.28 0.50 1 198 199 19 ILE CB C 40.51 0.50 1 199 199 19 ILE CD1 C 15.48 0.50 1 200 199 19 ILE CG1 C 27.49 0.50 1 201 199 19 ILE CG2 C 19.10 0.50 1 202 199 19 ILE H H 8.92 0.02 1 203 199 19 ILE HA H 5.18 0.05 1 204 199 19 ILE HB H 1.90 0.05 1 205 199 19 ILE HD1 H 0.28 0.05 1 206 199 19 ILE HG12 H 1.36 0.05 1 207 199 19 ILE HG13 H 1.36 0.05 1 208 199 19 ILE HG2 H 0.72 0.05 1 209 199 19 ILE N N 118.60 0.03 1 210 200 20 CYS C C 172.88 0.50 1 211 200 20 CYS CA C 56.05 0.50 1 212 200 20 CYS CB C 37.29 0.50 1 213 200 20 CYS H H 9.19 0.02 1 214 200 20 CYS HA H 5.42 0.05 1 215 200 20 CYS HB2 H 2.55 0.05 2 216 200 20 CYS HB3 H 3.14 0.05 2 217 200 20 CYS N N 124.75 0.03 1 218 201 21 ALA C C 174.59 0.50 1 219 201 21 ALA CA C 49.07 0.50 1 220 201 21 ALA CB C 25.45 0.50 1 221 201 21 ALA H H 9.39 0.02 1 222 201 21 ALA HA H 5.01 0.05 1 223 201 21 ALA HB H 1.16 0.05 1 224 201 21 ALA N N 128.04 0.03 1 225 202 22 ARG C C 175.72 0.50 1 226 202 22 ARG CA C 53.11 0.50 1 227 202 22 ARG CB C 32.05 0.50 1 228 202 22 ARG CD C 42.74 0.50 1 229 202 22 ARG CG C 25.68 0.50 1 230 202 22 ARG H H 9.14 0.02 1 231 202 22 ARG HA H 4.87 0.05 1 232 202 22 ARG HB2 H 1.46 0.05 2 233 202 22 ARG HB3 H 1.71 0.05 2 234 202 22 ARG HD2 H 2.93 0.05 1 235 202 22 ARG HD3 H 2.93 0.05 1 236 202 22 ARG HG2 H 1.21 0.05 1 237 202 22 ARG HG3 H 1.21 0.05 1 238 202 22 ARG N N 124.17 0.03 1 239 203 23 VAL C C 174.38 0.50 1 240 203 23 VAL CA C 59.15 0.50 1 241 203 23 VAL CB C 31.83 0.50 1 242 203 23 VAL CG1 C 23.97 0.50 2 243 203 23 VAL CG2 C 22.47 0.50 2 244 203 23 VAL H H 8.38 0.02 1 245 203 23 VAL HA H 4.56 0.05 1 246 203 23 VAL HB H 2.49 0.05 1 247 203 23 VAL HG1 H 0.79 0.05 2 248 203 23 VAL HG2 H 1.16 0.05 2 249 203 23 VAL N N 126.79 0.03 1 250 204 24 THR C C 175.33 0.50 1 251 204 24 THR CA C 59.98 0.50 1 252 204 24 THR CB C 65.96 0.50 1 253 204 24 THR CG2 C 23.99 0.50 1 254 204 24 THR H H 8.97 0.02 1 255 204 24 THR HA H 4.40 0.05 1 256 204 24 THR HB H 4.09 0.05 1 257 204 24 THR HG2 H 0.97 0.05 1 258 204 24 THR N N 121.63 0.03 1 259 205 25 ASN C C 172.00 0.50 1 260 205 25 ASN CA C 52.37 0.50 1 261 205 25 ASN CB C 41.36 0.50 1 262 205 25 ASN H H 7.44 0.02 1 263 205 25 ASN HA H 4.51 0.05 1 264 205 25 ASN HB2 H 2.31 0.05 2 265 205 25 ASN HB3 H 2.54 0.05 2 266 205 25 ASN HD21 H 6.58 0.05 2 267 205 25 ASN HD22 H 7.49 0.05 2 268 205 25 ASN N N 118.50 0.03 1 269 205 25 ASN ND2 N 113.66 0.03 1 270 206 26 LYS C C 174.52 0.50 1 271 206 26 LYS CA C 53.55 0.50 1 272 206 26 LYS CB C 36.33 0.50 1 273 206 26 LYS CD C 30.77 0.50 1 274 206 26 LYS CE C 41.29 0.50 1 275 206 26 LYS CG C 25.39 0.50 1 276 206 26 LYS H H 8.14 0.02 1 277 206 26 LYS HA H 4.86 0.05 1 278 206 26 LYS HB2 H 1.17 0.05 2 279 206 26 LYS HB3 H 1.52 0.05 2 280 206 26 LYS HD2 H 0.99 0.05 2 281 206 26 LYS HD3 H 1.17 0.05 2 282 206 26 LYS HE2 H 1.88 0.05 2 283 206 26 LYS HE3 H 1.96 0.05 2 284 206 26 LYS HG2 H 1.53 0.05 1 285 206 26 LYS HG3 H 1.53 0.05 1 286 206 26 LYS N N 125.32 0.03 1 287 207 27 SER C C 173.73 0.50 1 288 207 27 SER CA C 59.28 0.50 1 289 207 27 SER CB C 66.31 0.50 1 290 207 27 SER H H 9.29 0.02 1 291 207 27 SER HA H 4.47 0.05 1 292 207 27 SER HB2 H 3.77 0.05 1 293 207 27 SER HB3 H 3.77 0.05 1 294 207 27 SER N N 125.41 0.03 1 295 208 28 GLN C C 177.14 0.50 1 296 208 28 GLN CA C 53.34 0.50 1 297 208 28 GLN CB C 30.09 0.50 1 298 208 28 GLN CG C 34.13 0.50 1 299 208 28 GLN H H 8.13 0.02 1 300 208 28 GLN HA H 4.45 0.05 1 301 208 28 GLN HB2 H 1.82 0.05 2 302 208 28 GLN HB3 H 2.11 0.05 2 303 208 28 GLN HG2 H 2.38 0.05 1 304 208 28 GLN HG3 H 2.38 0.05 1 305 208 28 GLN HE21 H 6.86 0.05 2 306 208 28 GLN HE22 H 7.59 0.05 2 307 208 28 GLN N N 115.51 0.03 1 308 208 28 GLN NE2 N 113.73 0.03 1 309 209 29 ILE C C 176.45 0.50 1 310 209 29 ILE CA C 60.38 0.50 1 311 209 29 ILE CB C 37.85 0.50 1 312 209 29 ILE CD1 C 14.49 0.50 1 313 209 29 ILE CG1 C 29.50 0.50 1 314 209 29 ILE CG2 C 18.94 0.50 1 315 209 29 ILE H H 8.41 0.02 1 316 209 29 ILE HA H 4.13 0.05 1 317 209 29 ILE HB H 1.19 0.05 1 318 209 29 ILE HD1 H -0.20 0.05 1 319 209 29 ILE HG12 H -0.09 0.05 2 320 209 29 ILE HG13 H 0.53 0.05 2 321 209 29 ILE HG2 H 0.58 0.05 1 322 209 29 ILE N N 124.15 0.03 1 323 210 30 ARG C C 174.99 0.50 1 324 210 30 ARG CA C 52.52 0.50 1 325 210 30 ARG CB C 32.64 0.50 1 326 210 30 ARG CD C 42.93 0.50 1 327 210 30 ARG CG C 27.38 0.50 1 328 210 30 ARG H H 9.14 0.02 1 329 210 30 ARG HA H 4.73 0.05 1 330 210 30 ARG HB2 H 1.62 0.05 2 331 210 30 ARG HB3 H 1.82 0.05 2 332 210 30 ARG HD2 H 3.06 0.05 1 333 210 30 ARG HD3 H 3.06 0.05 1 334 210 30 ARG HG2 H 1.57 0.05 1 335 210 30 ARG HG3 H 1.57 0.05 1 336 210 30 ARG N N 130.61 0.03 1 337 211 31 THR C C 173.91 0.50 1 338 211 31 THR CA C 58.13 0.50 1 339 211 31 THR CB C 68.03 0.50 1 340 211 31 THR CG2 C 22.59 0.50 1 341 211 31 THR H H 8.28 0.02 1 342 211 31 THR HA H 4.99 0.05 1 343 211 31 THR HB H 4.07 0.05 1 344 211 31 THR HG2 H 0.97 0.05 1 345 211 31 THR N N 114.06 0.03 1 346 212 32 TRP C C 173.83 0.50 1 347 212 32 TRP CA C 54.21 0.50 1 348 212 32 TRP CB C 32.06 0.50 1 349 212 32 TRP CD1 C 126.76 0.50 1 350 212 32 TRP CE3 C 120.74 0.50 1 351 212 32 TRP CH2 C 124.12 0.50 1 352 212 32 TRP CZ2 C 114.26 0.50 1 353 212 32 TRP CZ3 C 121.72 0.50 1 354 212 32 TRP H H 8.10 0.02 1 355 212 32 TRP HA H 4.87 0.05 1 356 212 32 TRP HB2 H 3.04 0.05 2 357 212 32 TRP HB3 H 3.07 0.05 2 358 212 32 TRP HD1 H 6.70 0.05 1 359 212 32 TRP HE1 H 9.77 0.05 1 360 212 32 TRP HE3 H 7.06 0.05 1 361 212 32 TRP HH2 H 6.94 0.05 1 362 212 32 TRP HZ2 H 7.30 0.05 1 363 212 32 TRP HZ3 H 6.76 0.05 1 364 212 32 TRP N N 120.95 0.03 1 365 212 32 TRP NE1 N 129.81 0.03 1 366 213 33 SER C C 173.12 0.50 1 367 213 33 SER CA C 55.70 0.50 1 368 213 33 SER CB C 61.36 0.50 1 369 213 33 SER H H 8.33 0.02 1 370 213 33 SER HA H 4.67 0.05 1 371 213 33 SER HB2 H 3.59 0.05 2 372 213 33 SER HB3 H 3.65 0.05 2 373 213 33 SER N N 114.81 0.03 1 374 214 34 ASN CA C 52.25 0.50 1 375 214 34 ASN CB C 39.13 0.50 1 376 214 34 ASN H H 8.91 0.02 1 377 214 34 ASN HA H 4.61 0.05 1 378 214 34 ASN HD21 H 6.69 0.05 2 379 214 34 ASN HD22 H 7.40 0.05 2 380 214 34 ASN N N 123.75 0.03 1 381 214 34 ASN ND2 N 113.37 0.03 1 382 215 35 SER C C 175.14 0.50 1 383 215 35 SER CA C 58.80 0.50 1 384 215 35 SER CB C 60.59 0.50 1 385 215 35 SER HA H 4.09 0.05 1 386 215 35 SER HB2 H 3.80 0.05 2 387 215 35 SER HB3 H 3.85 0.05 2 388 216 36 ARG C C 176.05 0.50 1 389 216 36 ARG CA C 54.20 0.50 1 390 216 36 ARG CB C 30.41 0.50 1 391 216 36 ARG CD C 42.22 0.50 1 392 216 36 ARG CG C 27.63 0.50 1 393 216 36 ARG H H 8.29 0.02 1 394 216 36 ARG HA H 4.29 0.05 1 395 216 36 ARG HB2 H 1.66 0.05 2 396 216 36 ARG HB3 H 1.87 0.05 2 397 216 36 ARG HD2 H 3.01 0.05 1 398 216 36 ARG HD3 H 3.01 0.05 1 399 216 36 ARG HG2 H 1.45 0.05 1 400 216 36 ARG HG3 H 1.45 0.05 1 401 216 36 ARG N N 120.23 0.03 1 402 217 37 GLY C C 170.53 0.50 1 403 217 37 GLY CA C 42.64 0.50 1 404 217 37 GLY H H 7.71 0.02 1 405 217 37 GLY HA2 H 3.68 0.05 1 406 217 37 GLY HA3 H 3.68 0.05 1 407 217 37 GLY N N 109.48 0.03 1 408 218 38 GLU C C 175.14 0.50 1 409 218 38 GLU CA C 54.13 0.50 1 410 218 38 GLU CB C 32.56 0.50 1 411 218 38 GLU CG C 35.76 0.50 1 412 218 38 GLU H H 7.90 0.02 1 413 218 38 GLU HA H 4.23 0.05 1 414 218 38 GLU HB2 H 1.69 0.05 1 415 218 38 GLU HB3 H 1.69 0.05 1 416 218 38 GLU HG2 H 1.88 0.05 1 417 218 38 GLU HG3 H 1.88 0.05 1 418 218 38 GLU N N 118.60 0.03 1 419 219 39 GLY C C 176.00 0.50 1 420 219 39 GLY CA C 44.07 0.50 1 421 219 39 GLY H H 7.16 0.02 1 422 219 39 GLY HA2 H 3.79 0.05 1 423 219 39 GLY HA3 H 3.79 0.05 1 424 219 39 GLY N N 109.70 0.03 1 425 220 40 LYS C C 174.50 0.50 1 426 220 40 LYS CA C 52.88 0.50 1 427 220 40 LYS CB C 36.23 0.50 1 428 220 40 LYS CD C 30.34 0.50 1 429 220 40 LYS CE C 41.06 0.50 1 430 220 40 LYS CG C 24.39 0.50 1 431 220 40 LYS H H 7.86 0.02 1 432 220 40 LYS HA H 5.35 0.05 1 433 220 40 LYS HB2 H 1.43 0.05 2 434 220 40 LYS HB3 H 1.60 0.05 2 435 220 40 LYS HD2 H 1.35 0.05 1 436 220 40 LYS HD3 H 1.35 0.05 1 437 220 40 LYS HE2 H 2.59 0.05 1 438 220 40 LYS HE3 H 2.59 0.05 1 439 220 40 LYS HG2 H 1.02 0.05 2 440 220 40 LYS HG3 H 1.33 0.05 2 441 220 40 LYS N N 117.44 0.03 1 442 221 41 LEU C C 175.83 0.50 1 443 221 41 LEU CA C 52.93 0.50 1 444 221 41 LEU CB C 44.22 0.50 1 445 221 41 LEU CD1 C 25.33 0.50 2 446 221 41 LEU CD2 C 28.22 0.50 2 447 221 41 LEU CG C 26.24 0.50 1 448 221 41 LEU H H 9.15 0.02 1 449 221 41 LEU HA H 5.39 0.05 1 450 221 41 LEU HB2 H 1.02 0.05 2 451 221 41 LEU HB3 H 1.65 0.05 2 452 221 41 LEU HD1 H 0.46 0.05 2 453 221 41 LEU HD2 H 0.62 0.05 2 454 221 41 LEU HG H 1.49 0.05 1 455 221 41 LEU N N 119.24 0.03 1 456 222 42 PHE C C 170.61 0.50 1 457 222 42 PHE CA C 57.88 0.50 1 458 222 42 PHE CB C 42.01 0.50 1 459 222 42 PHE CD1 C 132.86 0.50 1 460 222 42 PHE CD2 C 132.86 0.50 1 461 222 42 PHE CE1 C 129.79 0.50 1 462 222 42 PHE CE2 C 129.79 0.50 1 463 222 42 PHE CZ C 129.79 0.50 1 464 222 42 PHE H H 8.33 0.02 1 465 222 42 PHE HA H 4.46 0.05 1 466 222 42 PHE HB2 H 2.81 0.05 2 467 222 42 PHE HB3 H 3.13 0.05 2 468 222 42 PHE HD1 H 7.22 0.05 1 469 222 42 PHE HD2 H 7.22 0.05 1 470 222 42 PHE HE1 H 7.01 0.05 1 471 222 42 PHE HE2 H 7.01 0.05 1 472 222 42 PHE HZ H 7.01 0.05 1 473 222 42 PHE N N 115.81 0.03 1 474 223 43 SER C C 172.18 0.50 1 475 223 43 SER CA C 56.47 0.50 1 476 223 43 SER CB C 67.72 0.50 1 477 223 43 SER H H 9.00 0.02 1 478 223 43 SER HA H 5.13 0.05 1 479 223 43 SER HB2 H 3.41 0.05 1 480 223 43 SER HB3 H 3.41 0.05 1 481 223 43 SER N N 115.83 0.03 1 482 224 44 LEU C C 175.25 0.50 1 483 224 44 LEU CA C 51.80 0.50 1 484 224 44 LEU CB C 45.19 0.50 1 485 224 44 LEU CD1 C 27.92 0.50 2 486 224 44 LEU CD2 C 26.96 0.50 2 487 224 44 LEU CG C 26.99 0.50 1 488 224 44 LEU H H 9.19 0.02 1 489 224 44 LEU HA H 5.09 0.05 1 490 224 44 LEU HB2 H 1.49 0.05 1 491 224 44 LEU HB3 H 1.49 0.05 1 492 224 44 LEU HD1 H 0.70 0.05 2 493 224 44 LEU HD2 H 0.82 0.05 2 494 224 44 LEU HG H 1.41 0.05 1 495 224 44 LEU N N 121.02 0.03 1 496 225 45 GLU C C 173.68 0.50 1 497 225 45 GLU CA C 56.47 0.50 1 498 225 45 GLU CB C 31.16 0.50 1 499 225 45 GLU CG C 34.09 0.50 1 500 225 45 GLU H H 7.91 0.02 1 501 225 45 GLU HA H 4.56 0.05 1 502 225 45 GLU HB2 H 1.64 0.05 1 503 225 45 GLU HB3 H 1.64 0.05 1 504 225 45 GLU HG2 H 1.88 0.05 1 505 225 45 GLU HG3 H 1.88 0.05 1 506 225 45 GLU N N 120.60 0.03 1 507 226 46 LEU C C 176.06 0.50 1 508 226 46 LEU CA C 51.20 0.50 1 509 226 46 LEU CB C 43.21 0.50 1 510 226 46 LEU CD1 C 24.49 0.50 2 511 226 46 LEU CD2 C 27.14 0.50 2 512 226 46 LEU CG C 27.14 0.50 1 513 226 46 LEU H H 8.50 0.02 1 514 226 46 LEU HA H 5.17 0.05 1 515 226 46 LEU HB2 H 0.73 0.05 2 516 226 46 LEU HB3 H 1.55 0.05 2 517 226 46 LEU HD1 H -0.30 0.05 2 518 226 46 LEU HD2 H 0.37 0.05 2 519 226 46 LEU HG H 1.09 0.05 1 520 226 46 LEU N N 123.84 0.03 1 521 227 47 VAL C C 174.66 0.50 1 522 227 47 VAL CA C 58.17 0.50 1 523 227 47 VAL CB C 36.18 0.50 1 524 227 47 VAL CG1 C 22.68 0.50 1 525 227 47 VAL CG2 C 22.68 0.50 1 526 227 47 VAL H H 8.92 0.02 1 527 227 47 VAL HA H 5.00 0.05 1 528 227 47 VAL HB H 1.88 0.05 1 529 227 47 VAL HG1 H 0.82 0.05 2 530 227 47 VAL HG2 H 0.88 0.05 2 531 227 47 VAL N N 118.60 0.03 1 532 228 48 ASP C C 175.07 0.50 1 533 228 48 ASP CA C 52.72 0.50 1 534 228 48 ASP CB C 41.94 0.50 1 535 228 48 ASP H H 8.80 0.02 1 536 228 48 ASP HA H 4.76 0.05 1 537 228 48 ASP HB2 H 2.77 0.05 2 538 228 48 ASP HB3 H 3.24 0.05 2 539 228 48 ASP N N 127.46 0.03 1 540 229 49 GLU C C 176.31 0.50 1 541 229 49 GLU CA C 59.28 0.50 1 542 229 49 GLU CB C 29.28 0.50 1 543 229 49 GLU CG C 36.51 0.50 1 544 229 49 GLU H H 8.54 0.02 1 545 229 49 GLU HA H 3.92 0.05 1 546 229 49 GLU HB2 H 1.87 0.05 1 547 229 49 GLU HB3 H 1.87 0.05 1 548 229 49 GLU HG2 H 2.13 0.05 1 549 229 49 GLU HG3 H 2.13 0.05 1 550 229 49 GLU N N 116.24 0.03 1 551 230 50 SER C C 174.21 0.50 1 552 230 50 SER CA C 55.79 0.50 1 553 230 50 SER CB C 62.85 0.50 1 554 230 50 SER H H 9.06 0.02 1 555 230 50 SER HA H 4.43 0.05 1 556 230 50 SER HB2 H 3.61 0.05 2 557 230 50 SER HB3 H 3.83 0.05 2 558 230 50 SER N N 117.07 0.03 1 559 231 51 GLY C C 180.74 0.50 1 560 231 51 GLY CA C 44.22 0.50 1 561 231 51 GLY H H 7.54 0.02 1 562 231 51 GLY HA2 H 3.87 0.05 1 563 231 51 GLY HA3 H 3.87 0.05 1 564 231 51 GLY N N 112.47 0.03 1 565 232 52 GLU C C 174.33 0.50 1 566 232 52 GLU CA C 53.66 0.50 1 567 232 52 GLU CB C 34.44 0.50 1 568 232 52 GLU CG C 35.15 0.50 1 569 232 52 GLU H H 7.99 0.02 1 570 232 52 GLU HA H 3.90 0.05 1 571 232 52 GLU HB2 H 1.66 0.05 2 572 232 52 GLU HB3 H 1.88 0.05 2 573 232 52 GLU HG2 H 2.03 0.05 1 574 232 52 GLU HG3 H 2.03 0.05 1 575 232 52 GLU N N 115.78 0.03 1 576 233 53 ILE C C 176.41 0.50 1 577 233 53 ILE CA C 59.10 0.50 1 578 233 53 ILE CB C 41.20 0.50 1 579 233 53 ILE CD1 C 15.95 0.50 1 580 233 53 ILE CG1 C 29.32 0.50 1 581 233 53 ILE CG2 C 16.36 0.50 1 582 233 53 ILE H H 8.80 0.02 1 583 233 53 ILE HA H 4.24 0.05 1 584 233 53 ILE HB H 1.22 0.05 1 585 233 53 ILE HD1 H 0.23 0.05 1 586 233 53 ILE HG12 H 1.15 0.05 2 587 233 53 ILE HG13 H 1.53 0.05 2 588 233 53 ILE HG2 H 0.23 0.05 1 589 233 53 ILE N N 119.71 0.03 1 590 234 54 ARG C C 174.68 0.50 1 591 234 54 ARG CA C 55.06 0.50 1 592 234 54 ARG CB C 31.63 0.50 1 593 234 54 ARG CD C 42.23 0.50 1 594 234 54 ARG CG C 27.30 0.50 1 595 234 54 ARG H H 8.88 0.02 1 596 234 54 ARG HA H 4.55 0.05 1 597 234 54 ARG HB2 H 1.66 0.05 1 598 234 54 ARG HB3 H 1.66 0.05 1 599 234 54 ARG HD2 H 2.99 0.05 1 600 234 54 ARG HD3 H 2.99 0.05 1 601 234 54 ARG HG2 H 1.43 0.05 1 602 234 54 ARG HG3 H 1.43 0.05 1 603 234 54 ARG N N 128.16 0.03 1 604 235 55 ALA C C 175.61 0.50 1 605 235 55 ALA CA C 47.81 0.50 1 606 235 55 ALA CB C 24.26 0.50 1 607 235 55 ALA H H 8.77 0.02 1 608 235 55 ALA HA H 5.45 0.05 1 609 235 55 ALA HB H 0.69 0.05 1 610 235 55 ALA N N 127.37 0.03 1 611 236 56 THR C C 171.12 0.50 1 612 236 56 THR CA C 59.27 0.50 1 613 236 56 THR CB C 68.05 0.50 1 614 236 56 THR CG2 C 23.05 0.50 1 615 236 56 THR H H 7.89 0.02 1 616 236 56 THR HA H 4.40 0.05 1 617 236 56 THR HB H 3.45 0.05 1 618 236 56 THR HG2 H 0.27 0.05 1 619 236 56 THR N N 116.24 0.03 1 620 237 57 ALA C C 173.41 0.50 1 621 237 57 ALA CA C 48.22 0.50 1 622 237 57 ALA CB C 23.06 0.50 1 623 237 57 ALA H H 7.85 0.02 1 624 237 57 ALA HA H 4.35 0.05 1 625 237 57 ALA HB H 0.43 0.05 1 626 237 57 ALA N N 128.23 0.03 1 627 238 58 PHE C C 176.64 0.50 1 628 238 58 PHE CA C 54.69 0.50 1 629 238 58 PHE CB C 42.08 0.50 1 630 238 58 PHE CD1 C 131.97 0.50 1 631 238 58 PHE CD2 C 131.97 0.50 1 632 238 58 PHE CE1 C 131.25 0.50 1 633 238 58 PHE CE2 C 131.25 0.50 1 634 238 58 PHE CZ C 130.37 0.50 1 635 238 58 PHE H H 9.15 0.02 1 636 238 58 PHE HA H 5.23 0.05 1 637 238 58 PHE HB2 H 2.88 0.05 1 638 238 58 PHE HB3 H 2.88 0.05 1 639 238 58 PHE HD1 H 7.13 0.05 1 640 238 58 PHE HD2 H 7.13 0.05 1 641 238 58 PHE HE1 H 6.95 0.05 1 642 238 58 PHE HE2 H 6.95 0.05 1 643 238 58 PHE HZ H 7.02 0.05 1 644 238 58 PHE N N 117.41 0.03 1 645 239 59 ASN C C 176.23 0.50 1 646 239 59 ASN CA C 54.17 0.50 1 647 239 59 ASN CB C 37.23 0.50 1 648 239 59 ASN H H 9.18 0.02 1 649 239 59 ASN HA H 4.05 0.05 1 650 239 59 ASN HB2 H 2.86 0.05 2 651 239 59 ASN HB3 H 3.04 0.05 2 652 239 59 ASN HD21 H 6.90 0.05 2 653 239 59 ASN HD22 H 7.82 0.05 2 654 239 59 ASN N N 120.13 0.03 1 655 239 59 ASN ND2 N 112.84 0.03 1 656 240 60 GLU C C 178.99 0.50 1 657 240 60 GLU CA C 58.12 0.50 1 658 240 60 GLU CB C 28.82 0.50 1 659 240 60 GLU CG C 36.30 0.50 1 660 240 60 GLU H H 9.51 0.02 1 661 240 60 GLU HA H 4.10 0.05 1 662 240 60 GLU HB2 H 2.00 0.05 1 663 240 60 GLU HB3 H 2.00 0.05 1 664 240 60 GLU HG2 H 2.34 0.05 1 665 240 60 GLU HG3 H 2.34 0.05 1 666 240 60 GLU N N 125.31 0.03 1 667 241 61 GLN C C 179.64 0.50 1 668 241 61 GLN CA C 59.75 0.50 1 669 241 61 GLN CB C 28.35 0.50 1 670 241 61 GLN CG C 33.47 0.50 1 671 241 61 GLN H H 8.46 0.02 1 672 241 61 GLN HA H 4.23 0.05 1 673 241 61 GLN HB2 H 2.14 0.05 2 674 241 61 GLN HB3 H 2.67 0.05 2 675 241 61 GLN HG2 H 2.47 0.05 1 676 241 61 GLN HG3 H 2.47 0.05 1 677 241 61 GLN HE21 H 6.63 0.05 2 678 241 61 GLN HE22 H 7.35 0.05 2 679 241 61 GLN N N 116.87 0.03 1 680 241 61 GLN NE2 N 112.72 0.03 1 681 242 62 VAL C C 176.73 0.50 1 682 242 62 VAL CA C 64.08 0.50 1 683 242 62 VAL CB C 30.44 0.50 1 684 242 62 VAL CG1 C 23.13 0.50 2 685 242 62 VAL CG2 C 24.42 0.50 2 686 242 62 VAL H H 7.91 0.02 1 687 242 62 VAL HA H 3.63 0.05 1 688 242 62 VAL HB H 2.27 0.05 1 689 242 62 VAL HG1 H 0.69 0.05 2 690 242 62 VAL HG2 H 0.81 0.05 2 691 242 62 VAL N N 123.03 0.03 1 692 243 63 ASP C C 177.11 0.50 1 693 243 63 ASP CA C 55.01 0.50 1 694 243 63 ASP CB C 39.41 0.50 1 695 243 63 ASP H H 6.96 0.02 1 696 243 63 ASP HA H 4.03 0.05 1 697 243 63 ASP HB2 H 2.46 0.05 1 698 243 63 ASP HB3 H 2.46 0.05 1 699 243 63 ASP N N 117.16 0.03 1 700 244 64 LYS C C 177.25 0.50 1 701 244 64 LYS CA C 56.28 0.50 1 702 244 64 LYS CB C 33.50 0.50 1 703 244 64 LYS CD C 29.64 0.50 1 704 244 64 LYS CE C 41.21 0.50 1 705 244 64 LYS CG C 25.08 0.50 1 706 244 64 LYS H H 6.96 0.02 1 707 244 64 LYS HA H 3.77 0.05 1 708 244 64 LYS HB2 H 1.08 0.05 2 709 244 64 LYS HB3 H 1.45 0.05 2 710 244 64 LYS HD2 H 1.16 0.05 2 711 244 64 LYS HD3 H 1.27 0.05 2 712 244 64 LYS HE2 H 2.55 0.05 1 713 244 64 LYS HE3 H 2.55 0.05 1 714 244 64 LYS HG2 H 0.05 0.05 2 715 244 64 LYS HG3 H 0.70 0.05 2 716 244 64 LYS N N 115.02 0.03 1 717 245 65 PHE C C 174.34 0.50 1 718 245 65 PHE CA C 58.00 0.50 1 719 245 65 PHE CB C 39.27 0.50 1 720 245 65 PHE CD1 C 131.32 0.50 1 721 245 65 PHE CD2 C 131.32 0.50 1 722 245 65 PHE CE1 C 131.34 0.50 1 723 245 65 PHE CE2 C 131.34 0.50 1 724 245 65 PHE CZ C 131.22 0.50 1 725 245 65 PHE H H 7.63 0.02 1 726 245 65 PHE HA H 4.55 0.05 1 727 245 65 PHE HB2 H 2.86 0.05 2 728 245 65 PHE HB3 H 3.06 0.05 2 729 245 65 PHE HD1 H 7.27 0.05 1 730 245 65 PHE HD2 H 7.27 0.05 1 731 245 65 PHE HE1 H 7.39 0.05 1 732 245 65 PHE HE2 H 7.39 0.05 1 733 245 65 PHE HZ H 7.45 0.05 1 734 245 65 PHE N N 111.13 0.03 1 735 246 66 PHE CA C 64.91 0.50 1 736 246 66 PHE CB C 36.31 0.50 1 737 246 66 PHE CD1 C 131.43 0.50 1 738 246 66 PHE CD2 C 131.43 0.50 1 739 246 66 PHE CE1 C 131.49 0.50 1 740 246 66 PHE CE2 C 131.49 0.50 1 741 246 66 PHE CZ C 131.37 0.50 1 742 246 66 PHE H H 8.90 0.02 1 743 246 66 PHE HA H 4.52 0.05 1 744 246 66 PHE HB2 H 2.79 0.05 2 745 246 66 PHE HB3 H 3.20 0.05 2 746 246 66 PHE HD1 H 5.97 0.05 1 747 246 66 PHE HD2 H 5.97 0.05 1 748 246 66 PHE HE1 H 7.23 0.05 1 749 246 66 PHE HE2 H 7.23 0.05 1 750 246 66 PHE HZ H 7.16 0.05 1 751 246 66 PHE N N 122.77 0.03 1 752 247 67 PRO C C 176.86 0.50 1 753 247 67 PRO CA C 60.75 0.50 1 754 247 67 PRO CB C 32.39 0.50 1 755 247 67 PRO CD C 49.42 0.50 1 756 247 67 PRO CG C 28.13 0.50 1 757 247 67 PRO HA H 4.21 0.05 1 758 247 67 PRO HB2 H 1.68 0.05 2 759 247 67 PRO HB3 H 2.08 0.05 2 760 247 67 PRO HD2 H 3.44 0.05 2 761 247 67 PRO HD3 H 3.67 0.05 2 762 247 67 PRO HG2 H 1.74 0.05 2 763 247 67 PRO HG3 H 1.85 0.05 2 764 248 68 LEU C C 173.32 0.50 1 765 248 68 LEU CA C 53.19 0.50 1 766 248 68 LEU CB C 43.17 0.50 1 767 248 68 LEU CD1 C 24.29 0.50 2 768 248 68 LEU CD2 C 25.88 0.50 2 769 248 68 LEU CG C 27.36 0.50 1 770 248 68 LEU H H 6.80 0.02 1 771 248 68 LEU HA H 4.12 0.05 1 772 248 68 LEU HB2 H 1.66 0.05 1 773 248 68 LEU HB3 H 1.66 0.05 1 774 248 68 LEU HD1 H 0.73 0.05 2 775 248 68 LEU HD2 H 0.82 0.05 2 776 248 68 LEU HG H 1.56 0.05 1 777 248 68 LEU N N 115.75 0.03 1 778 249 69 ILE C C 175.77 0.50 1 779 249 69 ILE CA C 58.18 0.50 1 780 249 69 ILE CB C 39.32 0.50 1 781 249 69 ILE CD1 C 15.54 0.50 1 782 249 69 ILE CG1 C 27.40 0.50 1 783 249 69 ILE CG2 C 19.87 0.50 1 784 249 69 ILE H H 6.52 0.02 1 785 249 69 ILE HA H 3.68 0.05 1 786 249 69 ILE HB H 1.23 0.05 1 787 249 69 ILE HD1 H 0.61 0.05 1 788 249 69 ILE HG12 H 0.37 0.05 2 789 249 69 ILE HG13 H 1.48 0.05 2 790 249 69 ILE HG2 H 0.57 0.05 1 791 249 69 ILE N N 116.12 0.03 1 792 250 70 GLU C C 174.80 0.50 1 793 250 70 GLU CA C 54.10 0.50 1 794 250 70 GLU CB C 32.53 0.50 1 795 250 70 GLU CG C 36.29 0.50 1 796 250 70 GLU H H 8.68 0.02 1 797 250 70 GLU HA H 4.43 0.05 1 798 250 70 GLU HB2 H 1.70 0.05 2 799 250 70 GLU HB3 H 1.87 0.05 2 800 250 70 GLU HG2 H 1.95 0.05 2 801 250 70 GLU HG3 H 2.04 0.05 2 802 250 70 GLU N N 128.79 0.03 1 803 251 71 VAL C C 175.38 0.50 1 804 251 71 VAL CA C 61.45 0.50 1 805 251 71 VAL CB C 31.86 0.50 1 806 251 71 VAL CG1 C 22.18 0.50 2 807 251 71 VAL CG2 C 24.33 0.50 2 808 251 71 VAL H H 8.25 0.02 1 809 251 71 VAL HA H 3.40 0.05 1 810 251 71 VAL HB H 1.74 0.05 1 811 251 71 VAL HG1 H 0.77 0.05 2 812 251 71 VAL HG2 H 0.82 0.05 2 813 251 71 VAL N N 121.29 0.03 1 814 252 72 ASN C C 175.83 0.50 1 815 252 72 ASN CA C 53.87 0.50 1 816 252 72 ASN CB C 37.23 0.50 1 817 252 72 ASN H H 9.31 0.02 1 818 252 72 ASN HA H 4.15 0.05 1 819 252 72 ASN HB2 H 2.93 0.05 2 820 252 72 ASN HB3 H 2.99 0.05 2 821 252 72 ASN HD21 H 6.78 0.05 2 822 252 72 ASN HD22 H 7.49 0.05 2 823 252 72 ASN N N 119.47 0.03 1 824 252 72 ASN ND2 N 113.78 0.03 1 825 253 73 LYS C C 173.89 0.50 1 826 253 73 LYS CA C 53.13 0.50 1 827 253 73 LYS CB C 33.96 0.50 1 828 253 73 LYS CD C 29.32 0.50 1 829 253 73 LYS CE C 42.69 0.50 1 830 253 73 LYS CG C 26.65 0.50 1 831 253 73 LYS H H 7.38 0.02 1 832 253 73 LYS HA H 4.43 0.05 1 833 253 73 LYS HB2 H 1.36 0.05 2 834 253 73 LYS HB3 H 2.02 0.05 2 835 253 73 LYS HD2 H 1.46 0.05 1 836 253 73 LYS HD3 H 1.46 0.05 1 837 253 73 LYS HE2 H 2.73 0.05 1 838 253 73 LYS HE3 H 2.73 0.05 1 839 253 73 LYS HG2 H 1.04 0.05 2 840 253 73 LYS HG3 H 1.26 0.05 2 841 253 73 LYS N N 119.41 0.03 1 842 254 74 VAL C C 176.07 0.50 1 843 254 74 VAL CA C 58.31 0.50 1 844 254 74 VAL CB C 33.06 0.50 1 845 254 74 VAL CG1 C 23.73 0.50 2 846 254 74 VAL CG2 C 22.41 0.50 2 847 254 74 VAL H H 7.35 0.02 1 848 254 74 VAL HA H 4.55 0.05 1 849 254 74 VAL HB H 1.46 0.05 1 850 254 74 VAL HG1 H 0.49 0.05 2 851 254 74 VAL HG2 H 0.61 0.05 2 852 254 74 VAL N N 119.24 0.03 1 853 255 75 TYR C C 175.84 0.50 1 854 255 75 TYR CA C 56.94 0.50 1 855 255 75 TYR CB C 41.47 0.50 1 856 255 75 TYR CD1 C 132.82 0.50 1 857 255 75 TYR CD2 C 132.82 0.50 1 858 255 75 TYR CE1 C 118.20 0.50 1 859 255 75 TYR CE2 C 118.20 0.50 1 860 255 75 TYR H H 8.83 0.02 1 861 255 75 TYR HA H 4.61 0.05 1 862 255 75 TYR HB2 H 1.98 0.05 2 863 255 75 TYR HB3 H 2.17 0.05 2 864 255 75 TYR HD1 H 6.56 0.05 1 865 255 75 TYR HD2 H 6.56 0.05 1 866 255 75 TYR HE1 H 6.74 0.05 1 867 255 75 TYR HE2 H 6.74 0.05 1 868 255 75 TYR N N 124.60 0.03 1 869 256 76 TYR C C 176.86 0.50 1 870 256 76 TYR CA C 54.97 0.50 1 871 256 76 TYR CB C 38.96 0.50 1 872 256 76 TYR CD1 C 133.05 0.50 1 873 256 76 TYR CD2 C 133.05 0.50 1 874 256 76 TYR CE1 C 119.51 0.50 1 875 256 76 TYR CE2 C 119.51 0.50 1 876 256 76 TYR H H 9.59 0.02 1 877 256 76 TYR HA H 5.60 0.05 1 878 256 76 TYR HB2 H 2.57 0.05 1 879 256 76 TYR HB3 H 2.57 0.05 1 880 256 76 TYR HD1 H 6.83 0.05 1 881 256 76 TYR HD2 H 6.83 0.05 1 882 256 76 TYR HE1 H 6.74 0.05 1 883 256 76 TYR HE2 H 6.74 0.05 1 884 256 76 TYR N N 120.09 0.03 1 885 257 77 PHE C C 173.97 0.50 1 886 257 77 PHE CA C 56.91 0.50 1 887 257 77 PHE CB C 40.97 0.50 1 888 257 77 PHE CD1 C 133.05 0.50 1 889 257 77 PHE CD2 C 133.05 0.50 1 890 257 77 PHE CE1 C 129.65 0.50 1 891 257 77 PHE CE2 C 129.65 0.50 1 892 257 77 PHE H H 8.58 0.02 1 893 257 77 PHE HA H 5.14 0.05 1 894 257 77 PHE HB2 H 2.61 0.05 2 895 257 77 PHE HB3 H 2.84 0.05 2 896 257 77 PHE HD1 H 6.83 0.05 1 897 257 77 PHE HD2 H 6.83 0.05 1 898 257 77 PHE HE1 H 7.10 0.05 1 899 257 77 PHE HE2 H 7.10 0.05 1 900 257 77 PHE HZ H 6.04 0.05 1 901 257 77 PHE N N 120.32 0.03 1 902 258 78 SER CA C 54.64 0.50 1 903 258 78 SER CB C 62.72 0.50 1 904 258 78 SER H H 8.15 0.02 1 905 258 78 SER HA H 4.69 0.05 1 906 258 78 SER HB2 H 3.51 0.05 1 907 258 78 SER HB3 H 3.51 0.05 1 908 258 78 SER N N 115.19 0.03 1 909 259 79 LYS C C 176.78 0.50 1 910 259 79 LYS CA C 56.22 0.50 1 911 259 79 LYS HA H 2.96 0.05 1 912 259 79 LYS HB2 H 1.88 0.05 1 913 259 79 LYS HB3 H 1.88 0.05 1 914 259 79 LYS HD2 H 1.43 0.05 2 915 259 79 LYS HD3 H 1.37 0.05 2 916 259 79 LYS HE2 H 2.70 0.05 1 917 259 79 LYS HE3 H 2.70 0.05 1 918 259 79 LYS HG2 H 0.98 0.05 2 919 259 79 LYS HG3 H 1.06 0.05 2 920 260 80 GLY C C 175.08 0.50 1 921 260 80 GLY CA C 44.28 0.50 1 922 260 80 GLY H H 6.29 0.02 1 923 260 80 GLY HA2 H 3.50 0.05 2 924 260 80 GLY HA3 H 4.08 0.05 2 925 260 80 GLY N N 105.10 0.03 1 926 261 81 THR C C 173.43 0.50 1 927 261 81 THR CA C 59.28 0.50 1 928 261 81 THR CB C 67.46 0.50 1 929 261 81 THR CG2 C 22.77 0.50 1 930 261 81 THR H H 8.67 0.02 1 931 261 81 THR HA H 4.56 0.05 1 932 261 81 THR HB H 4.01 0.05 1 933 261 81 THR HG2 H 1.04 0.05 1 934 261 81 THR N N 116.73 0.03 1 935 262 82 LEU C C 175.16 0.50 1 936 262 82 LEU CA C 52.09 0.50 1 937 262 82 LEU CB C 43.89 0.50 1 938 262 82 LEU CD1 C 25.40 0.50 2 939 262 82 LEU CD2 C 25.66 0.50 2 940 262 82 LEU CG C 29.23 0.50 1 941 262 82 LEU H H 8.97 0.02 1 942 262 82 LEU HA H 5.10 0.05 1 943 262 82 LEU HB2 H 0.76 0.05 2 944 262 82 LEU HB3 H 1.18 0.05 2 945 262 82 LEU HD1 H 0.10 0.05 2 946 262 82 LEU HD2 H 0.16 0.05 2 947 262 82 LEU HG H 1.25 0.05 1 948 262 82 LEU N N 128.80 0.03 1 949 263 83 LYS C C 174.93 0.50 1 950 263 83 LYS CA C 52.14 0.50 1 951 263 83 LYS CB C 35.71 0.50 1 952 263 83 LYS CD C 29.64 0.50 1 953 263 83 LYS CE C 41.29 0.50 1 954 263 83 LYS CG C 24.40 0.50 1 955 263 83 LYS H H 8.57 0.02 1 956 263 83 LYS HA H 4.60 0.05 1 957 263 83 LYS HB2 H 1.60 0.05 1 958 263 83 LYS HB3 H 1.60 0.05 1 959 263 83 LYS HD2 H 1.44 0.05 1 960 263 83 LYS HD3 H 1.44 0.05 1 961 263 83 LYS HE2 H 2.73 0.05 1 962 263 83 LYS HE3 H 2.73 0.05 1 963 263 83 LYS HG2 H 1.02 0.05 2 964 263 83 LYS HG3 H 1.16 0.05 2 965 263 83 LYS N N 118.92 0.03 1 966 264 84 ILE C C 175.74 0.50 1 967 264 84 ILE CA C 59.94 0.50 1 968 264 84 ILE CB C 37.18 0.50 1 969 264 84 ILE CD1 C 14.04 0.50 1 970 264 84 ILE CG1 C 28.69 0.50 1 971 264 84 ILE CG2 C 19.15 0.50 1 972 264 84 ILE H H 8.39 0.02 1 973 264 84 ILE HA H 3.96 0.05 1 974 264 84 ILE HB H 1.65 0.05 1 975 264 84 ILE HD1 H 0.76 0.05 1 976 264 84 ILE HG12 H 1.16 0.05 2 977 264 84 ILE HG13 H 1.49 0.05 2 978 264 84 ILE HG2 H 0.82 0.05 1 979 264 84 ILE N N 122.56 0.03 1 980 265 85 ALA C C 175.13 0.50 1 981 265 85 ALA CA C 50.22 0.50 1 982 265 85 ALA CB C 20.84 0.50 1 983 265 85 ALA H H 8.58 0.02 1 984 265 85 ALA HA H 4.17 0.05 1 985 265 85 ALA HB H 0.93 0.05 1 986 265 85 ALA N N 131.15 0.03 1 987 266 86 ASN C C 175.81 0.50 1 988 266 86 ASN CA C 51.20 0.50 1 989 266 86 ASN CB C 38.06 0.50 1 990 266 86 ASN H H 8.29 0.02 1 991 266 86 ASN HA H 4.51 0.05 1 992 266 86 ASN HB2 H 2.59 0.05 2 993 266 86 ASN HB3 H 2.76 0.05 2 994 266 86 ASN HD21 H 6.75 0.05 2 995 266 86 ASN HD22 H 7.49 0.05 2 996 266 86 ASN N N 120.23 0.03 1 997 266 86 ASN ND2 N 112.72 0.03 1 998 267 87 LYS C C 176.23 0.50 1 999 267 87 LYS CA C 57.41 0.50 1 1000 267 87 LYS CB C 32.10 0.50 1 1001 267 87 LYS CD C 28.95 0.50 1 1002 267 87 LYS CE C 42.00 0.50 1 1003 267 87 LYS CG C 24.96 0.50 1 1004 267 87 LYS H H 8.31 0.02 1 1005 267 87 LYS HA H 3.99 0.05 1 1006 267 87 LYS HB2 H 1.65 0.05 2 1007 267 87 LYS HB3 H 1.47 0.05 2 1008 267 87 LYS HE2 H 2.78 0.05 1 1009 267 87 LYS HE3 H 2.78 0.05 1 1010 267 87 LYS HG2 H 1.19 0.05 2 1011 267 87 LYS HG3 H 0.91 0.05 2 1012 267 87 LYS N N 124.06 0.03 1 1013 268 88 GLN C C 175.99 0.50 1 1014 268 88 GLN CA C 55.07 0.50 1 1015 268 88 GLN CB C 29.40 0.50 1 1016 268 88 GLN CG C 33.49 0.50 1 1017 268 88 GLN H H 8.01 0.02 1 1018 268 88 GLN HA H 3.85 0.05 1 1019 268 88 GLN HB2 H 1.45 0.05 2 1020 268 88 GLN HB3 H 1.57 0.05 2 1021 268 88 GLN HG2 H 1.76 0.05 2 1022 268 88 GLN HG3 H 1.91 0.05 2 1023 268 88 GLN HE21 H 6.63 0.05 2 1024 268 88 GLN HE22 H 7.19 0.05 2 1025 268 88 GLN N N 119.25 0.03 1 1026 268 88 GLN NE2 N 112.60 0.03 1 1027 269 89 PHE C C 175.22 0.50 1 1028 269 89 PHE CA C 57.41 0.50 1 1029 269 89 PHE CB C 39.13 0.50 1 1030 269 89 PHE CD1 C 131.43 0.50 1 1031 269 89 PHE CD2 C 131.43 0.50 1 1032 269 89 PHE CE1 C 132.34 0.50 1 1033 269 89 PHE CE2 C 132.34 0.50 1 1034 269 89 PHE CZ C 128.75 0.50 1 1035 269 89 PHE H H 7.81 0.02 1 1036 269 89 PHE HA H 4.52 0.05 1 1037 269 89 PHE HB2 H 2.73 0.05 2 1038 269 89 PHE HB3 H 3.15 0.05 2 1039 269 89 PHE HD1 H 7.07 0.05 1 1040 269 89 PHE HD2 H 7.07 0.05 1 1041 269 89 PHE HE1 H 6.83 0.05 1 1042 269 89 PHE HE2 H 6.83 0.05 1 1043 269 89 PHE HZ H 6.78 0.05 1 1044 269 89 PHE N N 117.59 0.03 1 1045 270 90 THR C C 172.46 0.50 1 1046 270 90 THR CA C 57.68 0.50 1 1047 270 90 THR CB C 66.38 0.50 1 1048 270 90 THR CG2 C 21.87 0.50 1 1049 270 90 THR H H 7.41 0.02 1 1050 270 90 THR HA H 4.24 0.05 1 1051 270 90 THR HB H 3.92 0.05 1 1052 270 90 THR HG2 H 0.94 0.05 1 1053 270 90 THR N N 113.53 0.03 1 1054 271 91 ALA C C 177.33 0.50 1 1055 271 91 ALA CA C 50.58 0.50 1 1056 271 91 ALA CB C 20.24 0.50 1 1057 271 91 ALA H H 8.19 0.02 1 1058 271 91 ALA HA H 4.18 0.05 1 1059 271 91 ALA HB H 1.19 0.05 1 1060 271 91 ALA N N 126.54 0.03 1 1061 272 92 VAL C C 173.44 0.50 1 1062 272 92 VAL CA C 59.99 0.50 1 1063 272 92 VAL CB C 32.39 0.50 1 1064 272 92 VAL CG1 C 22.34 0.50 1 1065 272 92 VAL CG2 C 22.34 0.50 1 1066 272 92 VAL H H 7.79 0.02 1 1067 272 92 VAL HA H 3.78 0.05 1 1068 272 92 VAL HB H 1.77 0.05 1 1069 272 92 VAL HG1 H 0.66 0.05 1 1070 272 92 VAL HG2 H 0.66 0.05 1 1071 272 92 VAL N N 120.22 0.03 1 1072 273 93 LYS C C 174.54 0.50 1 1073 273 93 LYS CA C 56.00 0.50 1 1074 273 93 LYS CB C 31.63 0.50 1 1075 273 93 LYS CD C 29.29 0.50 1 1076 273 93 LYS CE C 41.24 0.50 1 1077 273 93 LYS CG C 24.67 0.50 1 1078 273 93 LYS H H 9.06 0.02 1 1079 273 93 LYS HA H 4.06 0.05 1 1080 273 93 LYS HB2 H 1.55 0.05 1 1081 273 93 LYS HB3 H 1.55 0.05 1 1082 273 93 LYS HD2 H 1.47 0.05 1 1083 273 93 LYS HD3 H 1.47 0.05 1 1084 273 93 LYS HE2 H 2.78 0.05 1 1085 273 93 LYS HE3 H 2.78 0.05 1 1086 273 93 LYS HG2 H 1.17 0.05 2 1087 273 93 LYS HG3 H 1.27 0.05 2 1088 273 93 LYS N N 129.44 0.03 1 1089 274 94 ASN C C 174.08 0.50 1 1090 274 94 ASN CA C 52.72 0.50 1 1091 274 94 ASN CB C 39.20 0.50 1 1092 274 94 ASN H H 7.39 0.02 1 1093 274 94 ASN HA H 4.31 0.05 1 1094 274 94 ASN HB2 H 2.75 0.05 2 1095 274 94 ASN HB3 H 2.83 0.05 2 1096 274 94 ASN HD21 H 6.93 0.05 2 1097 274 94 ASN HD22 H 7.62 0.05 2 1098 274 94 ASN N N 122.35 0.03 1 1099 274 94 ASN ND2 N 111.02 0.03 1 1100 275 95 ASP C C 176.73 0.50 1 1101 275 95 ASP CA C 56.00 0.50 1 1102 275 95 ASP CB C 40.53 0.50 1 1103 275 95 ASP H H 8.40 0.02 1 1104 275 95 ASP HA H 4.20 0.05 1 1105 275 95 ASP HB2 H 1.60 0.05 2 1106 275 95 ASP HB3 H 1.90 0.05 2 1107 275 95 ASP N N 126.05 0.03 1 1108 276 96 TYR C C 174.08 0.50 1 1109 276 96 TYR CA C 53.91 0.50 1 1110 276 96 TYR CB C 40.66 0.50 1 1111 276 96 TYR CD1 C 132.88 0.50 1 1112 276 96 TYR CD2 C 132.88 0.50 1 1113 276 96 TYR CE1 C 118.06 0.50 1 1114 276 96 TYR CE2 C 118.06 0.50 1 1115 276 96 TYR H H 9.00 0.02 1 1116 276 96 TYR HA H 5.19 0.05 1 1117 276 96 TYR HB2 H 2.24 0.05 2 1118 276 96 TYR HB3 H 2.70 0.05 2 1119 276 96 TYR HD1 H 6.77 0.05 1 1120 276 96 TYR HD2 H 6.77 0.05 1 1121 276 96 TYR HE1 H 6.65 0.05 1 1122 276 96 TYR HE2 H 6.65 0.05 1 1123 276 96 TYR N N 120.02 0.03 1 1124 277 97 GLU C C 173.26 0.50 1 1125 277 97 GLU CA C 54.12 0.50 1 1126 277 97 GLU CB C 33.97 0.50 1 1127 277 97 GLU CG C 36.16 0.50 1 1128 277 97 GLU H H 8.88 0.02 1 1129 277 97 GLU HA H 4.59 0.05 1 1130 277 97 GLU HB2 H 1.87 0.05 2 1131 277 97 GLU HB3 H 2.01 0.05 2 1132 277 97 GLU HG2 H 2.01 0.05 1 1133 277 97 GLU HG3 H 2.01 0.05 1 1134 277 97 GLU N N 116.24 0.03 1 1135 278 98 MET C C 175.27 0.50 1 1136 278 98 MET CA C 52.42 0.50 1 1137 278 98 MET CB C 36.38 0.50 1 1138 278 98 MET CE C 18.34 0.50 1 1139 278 98 MET CG C 31.40 0.50 1 1140 278 98 MET H H 8.79 0.02 1 1141 278 98 MET HA H 5.36 0.05 1 1142 278 98 MET HB2 H 1.45 0.05 2 1143 278 98 MET HB3 H 1.60 0.05 2 1144 278 98 MET HE H 1.90 0.05 1 1145 278 98 MET HG2 H 1.93 0.05 2 1146 278 98 MET HG3 H 2.20 0.05 2 1147 278 98 MET N N 121.41 0.03 1 1148 279 99 THR C C 174.36 0.50 1 1149 279 99 THR CA C 58.10 0.50 1 1150 279 99 THR CB C 67.94 0.50 1 1151 279 99 THR CG2 C 23.39 0.50 1 1152 279 99 THR H H 9.53 0.02 1 1153 279 99 THR HA H 5.21 0.05 1 1154 279 99 THR HB H 4.01 0.05 1 1155 279 99 THR HG2 H 1.29 0.05 1 1156 279 99 THR N N 122.35 0.03 1 1157 280 100 PHE C C 175.77 0.50 1 1158 280 100 PHE CA C 56.94 0.50 1 1159 280 100 PHE CB C 39.60 0.50 1 1160 280 100 PHE CD1 C 128.10 0.50 1 1161 280 100 PHE CD2 C 128.10 0.50 1 1162 280 100 PHE CE1 C 130.14 0.50 1 1163 280 100 PHE CE2 C 130.14 0.50 1 1164 280 100 PHE CZ C 130.02 0.50 1 1165 280 100 PHE H H 8.31 0.02 1 1166 280 100 PHE HA H 4.52 0.05 1 1167 280 100 PHE HB2 H 2.78 0.05 2 1168 280 100 PHE HB3 H 3.00 0.05 2 1169 280 100 PHE HD1 H 6.59 0.05 1 1170 280 100 PHE HD2 H 6.59 0.05 1 1171 280 100 PHE HE1 H 7.16 0.05 1 1172 280 100 PHE HE2 H 7.16 0.05 1 1173 280 100 PHE HZ H 7.01 0.05 1 1174 280 100 PHE N N 124.06 0.03 1 1175 281 101 ASN CA C 52.25 0.50 1 1176 281 101 ASN CB C 40.53 0.50 1 1177 281 101 ASN H H 9.37 0.02 1 1178 281 101 ASN HA H 4.52 0.05 1 1179 281 101 ASN HB2 H 2.69 0.05 1 1180 281 101 ASN HB3 H 2.69 0.05 1 1181 281 101 ASN HD21 H 6.91 0.05 2 1182 281 101 ASN HD22 H 7.57 0.05 2 1183 281 101 ASN N N 121.78 0.03 1 1184 281 101 ASN ND2 N 114.11 0.03 1 1185 282 102 ASN C C 175.67 0.50 1 1186 282 102 ASN CA C 54.30 0.50 1 1187 282 102 ASN CB C 37.40 0.50 1 1188 282 102 ASN HA H 4.41 0.05 1 1189 282 102 ASN HB2 H 2.74 0.05 1 1190 282 102 ASN HB3 H 2.74 0.05 1 1191 282 102 ASN HD21 H 7.05 0.05 2 1192 282 102 ASN HD22 H 8.01 0.05 2 1193 282 102 ASN ND2 N 114.20 0.03 1 1194 283 103 GLU C C 174.04 0.50 1 1195 283 103 GLU CA C 56.00 0.50 1 1196 283 103 GLU CB C 30.69 0.50 1 1197 283 103 GLU CG C 37.17 0.50 1 1198 283 103 GLU H H 8.78 0.02 1 1199 283 103 GLU HA H 4.22 0.05 1 1200 283 103 GLU HB2 H 1.94 0.05 1 1201 283 103 GLU HB3 H 1.94 0.05 1 1202 283 103 GLU HG2 H 2.04 0.05 1 1203 283 103 GLU HG3 H 2.04 0.05 1 1204 283 103 GLU N N 117.73 0.03 1 1205 284 104 THR C C 173.11 0.50 1 1206 284 104 THR CA C 63.50 0.50 1 1207 284 104 THR CB C 69.12 0.50 1 1208 284 104 THR CG2 C 22.24 0.50 1 1209 284 104 THR H H 7.41 0.02 1 1210 284 104 THR HA H 4.27 0.05 1 1211 284 104 THR HB H 3.70 0.05 1 1212 284 104 THR HG2 H 0.28 0.05 1 1213 284 104 THR N N 119.25 0.03 1 1214 285 105 SER C C 172.56 0.50 1 1215 285 105 SER CA C 54.43 0.50 1 1216 285 105 SER CB C 63.02 0.50 1 1217 285 105 SER H H 8.44 0.02 1 1218 285 105 SER HA H 4.76 0.05 1 1219 285 105 SER HB2 H 3.51 0.05 2 1220 285 105 SER HB3 H 3.62 0.05 2 1221 285 105 SER N N 121.38 0.03 1 1222 286 106 VAL C C 175.14 0.50 1 1223 286 106 VAL CA C 58.28 0.50 1 1224 286 106 VAL CB C 34.28 0.50 1 1225 286 106 VAL CG1 C 22.20 0.50 2 1226 286 106 VAL CG2 C 22.61 0.50 2 1227 286 106 VAL H H 8.03 0.02 1 1228 286 106 VAL HA H 4.54 0.05 1 1229 286 106 VAL HB H 1.54 0.05 1 1230 286 106 VAL HG1 H -0.01 0.05 2 1231 286 106 VAL HG2 H 0.11 0.05 2 1232 286 106 VAL N N 123.26 0.03 1 1233 287 107 MET CA C 50.23 0.50 1 1234 287 107 MET CB C 36.06 0.50 1 1235 287 107 MET CE C 18.34 0.50 1 1236 287 107 MET CG C 31.54 0.50 1 1237 287 107 MET H H 8.13 0.02 1 1238 287 107 MET HA H 5.19 0.05 1 1239 287 107 MET HB2 H 1.88 0.05 2 1240 287 107 MET HB3 H 2.11 0.05 2 1241 287 107 MET HE H 1.76 0.05 1 1242 287 107 MET HG2 H 2.47 0.05 1 1243 287 107 MET HG3 H 2.47 0.05 1 1244 287 107 MET N N 124.57 0.03 1 1245 288 108 PRO C C 173.81 0.50 1 1246 288 108 PRO CA C 60.85 0.50 1 1247 288 108 PRO CB C 32.93 0.50 1 1248 288 108 PRO CD C 49.73 0.50 1 1249 288 108 PRO CG C 28.32 0.50 1 1250 288 108 PRO HA H 4.18 0.05 1 1251 288 108 PRO HB2 H 1.75 0.05 2 1252 288 108 PRO HB3 H 2.18 0.05 2 1253 288 108 PRO HD2 H 3.79 0.05 2 1254 288 108 PRO HD3 H 3.85 0.05 2 1255 288 108 PRO HG2 H 2.02 0.05 2 1256 288 108 PRO HG3 H 2.09 0.05 2 1257 289 109 CYS C C 172.56 0.50 1 1258 289 109 CYS CA C 54.56 0.50 1 1259 289 109 CYS CB C 40.24 0.50 1 1260 289 109 CYS H H 7.98 0.02 1 1261 289 109 CYS HA H 4.31 0.05 1 1262 289 109 CYS HB2 H 1.66 0.05 2 1263 289 109 CYS HB3 H 2.20 0.05 2 1264 289 109 CYS N N 123.35 0.03 1 1265 290 110 GLU C C 174.36 0.50 1 1266 290 110 GLU CA C 55.53 0.50 1 1267 290 110 GLU CB C 31.16 0.50 1 1268 290 110 GLU CG C 36.79 0.50 1 1269 290 110 GLU H H 7.84 0.02 1 1270 290 110 GLU HA H 4.10 0.05 1 1271 290 110 GLU HB2 H 1.72 0.05 1 1272 290 110 GLU HB3 H 1.72 0.05 1 1273 290 110 GLU HG2 H 1.97 0.05 1 1274 290 110 GLU HG3 H 1.97 0.05 1 1275 290 110 GLU N N 124.95 0.03 1 1276 291 111 ASP CA C 54.24 0.50 1 1277 291 111 ASP CB C 42.28 0.50 1 1278 291 111 ASP H H 7.64 0.02 1 1279 291 111 ASP HA H 4.14 0.05 1 1280 291 111 ASP HB2 H 1.89 0.05 2 1281 291 111 ASP HB3 H 2.36 0.05 2 1282 291 111 ASP N N 127.41 0.03 1 stop_ save_