data_4384 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure and Dynamics of the Rous Sarcoma Virus Capsid Protein and Comparison with Capsid Proteins ofOther Retroviruses ; _BMRB_accession_number 4384 _BMRB_flat_file_name bmr4384.str _Entry_type original _Submission_date 1999-08-28 _Accession_date 1999-08-30 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Campos-Olivas Ramon . . 2 Newman John L. . 3 Summers Michael F. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1261 "13C chemical shifts" 1067 "15N chemical shifts" 241 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-03-07 original author . stop_ _Original_release_date 2000-03-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C, and 15N Chemical Shift Assignments of the Capsid Protein from Rous Sarcoma Virus ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 20142320 _PubMed_ID 10677830 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Campos-Olivas Ramon . . 2 Newman John L. . 3 Ndassa Y. . . 4 Summers Michael F. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of Biomolecular NMR' _Journal_volume 15 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 267 _Page_last 268 _Year 1999 _Details . loop_ _Keyword Capsid Retrovirus Rous stop_ save_ ################################## # Molecular system description # ################################## save_system_CA_RSV _Saveframe_category molecular_system _Mol_system_name 'Capsid protein from Rous Sarcoma Virus' _Abbreviation_common 'CA RSV' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'CA RSV' $CA_RSV stop_ _System_molecular_weight 28401 _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function ; Retroviral Capsid proteins oligomerize to form the core particle, that encapsulates the RNA viral genome. ; stop_ _Database_query_date . _Details ; CA_RSV is a recombinant protein overexpressed in E. coli The source of the CA_RSV gene is plasmid pSRA-2 of ATCC 45000, which is a plasmid clone containing full lenght Rous sarcoma virus, strain Schmidt Ruppin A-2, derived from unintegrated DNA from an acute infection of QT-6 cells. The DNA fragment coding for the entire 240 aminoacid mature capsid protein was amplified by PCR from pSRA-2. Flanking VspI (upstream) and BamHI (downstream) restriction sites were introduced that allowed insertion of the amplifyed fragment between the NdeI and the BamHI sites of the expresion vector pET-16b (Novagen). Thus, plasmid pET-16b(CA_RSV) was produced. Transformation of HMS174(DE3) pLysS E. coli cells with pET-16b(CA_RSV) and IPTG induction resulted in the overexpression of a 263 residue polypeptide containing 23 extra N-terminal residues, including a tag of 10 histidines, (MGHHHHHHHHHHSSGHIEGRHNM) before the actual 240 residues of the Capsid protein from Rous Sarcoma Virus. The N-terminal methionine is cleaved in the cell resulting in a 262 residue polypeptide that is purified and here referred to as CA_RSV. The actual protein sequence of the 240 residue wild-type portion, derived from DNA and here confirmed by NMR analysis, is that in protein database entries g508278 (GenBank) and S35430 (PIR). The 240 residue native sequence is numbered from 1 to 240. Numbers -22 to -1 are used to identify the non-native, N-terminal extension, from N to C termini. ; save_ ######################## # Monomeric polymers # ######################## save_CA_RSV _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Capsid protein from RSV' _Abbreviation_common 'CA RSV' _Molecular_mass 28401 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 262 _Mol_residue_sequence ; GHHHHHHHHHHSSGHIEGRH NMPVVIKTEGPAWTPLEPKL ITRLADTVRTKGLRSPITMA EVEALMSSPLLPHDVTNLMR VILGPAPYALWMDAWGVQLQ TVIAAATRDPRHPANGQGRG ERTNLDRLKGLADGMVGNPQ GQAALLRPGELVAITASALQ AFREVARLAEPAGPWADITQ GPSESFVDFANRLIKAVEGS DLPPSARAPVIIDCFRQKSQ PDIQQLIRAAPSTLTTPGEI IKYVLDRQKIAPLTDQGIAA AM ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -22 GLY 2 -21 HIS 3 -20 HIS 4 -19 HIS 5 -18 HIS 6 -17 HIS 7 -16 HIS 8 -15 HIS 9 -14 HIS 10 -13 HIS 11 -12 HIS 12 -11 SER 13 -10 SER 14 -9 GLY 15 -8 HIS 16 -7 ILE 17 -6 GLU 18 -5 GLY 19 -4 ARG 20 -3 HIS 21 -2 ASN 22 -1 MET 23 1 PRO 24 2 VAL 25 3 VAL 26 4 ILE 27 5 LYS 28 6 THR 29 7 GLU 30 8 GLY 31 9 PRO 32 10 ALA 33 11 TRP 34 12 THR 35 13 PRO 36 14 LEU 37 15 GLU 38 16 PRO 39 17 LYS 40 18 LEU 41 19 ILE 42 20 THR 43 21 ARG 44 22 LEU 45 23 ALA 46 24 ASP 47 25 THR 48 26 VAL 49 27 ARG 50 28 THR 51 29 LYS 52 30 GLY 53 31 LEU 54 32 ARG 55 33 SER 56 34 PRO 57 35 ILE 58 36 THR 59 37 MET 60 38 ALA 61 39 GLU 62 40 VAL 63 41 GLU 64 42 ALA 65 43 LEU 66 44 MET 67 45 SER 68 46 SER 69 47 PRO 70 48 LEU 71 49 LEU 72 50 PRO 73 51 HIS 74 52 ASP 75 53 VAL 76 54 THR 77 55 ASN 78 56 LEU 79 57 MET 80 58 ARG 81 59 VAL 82 60 ILE 83 61 LEU 84 62 GLY 85 63 PRO 86 64 ALA 87 65 PRO 88 66 TYR 89 67 ALA 90 68 LEU 91 69 TRP 92 70 MET 93 71 ASP 94 72 ALA 95 73 TRP 96 74 GLY 97 75 VAL 98 76 GLN 99 77 LEU 100 78 GLN 101 79 THR 102 80 VAL 103 81 ILE 104 82 ALA 105 83 ALA 106 84 ALA 107 85 THR 108 86 ARG 109 87 ASP 110 88 PRO 111 89 ARG 112 90 HIS 113 91 PRO 114 92 ALA 115 93 ASN 116 94 GLY 117 95 GLN 118 96 GLY 119 97 ARG 120 98 GLY 121 99 GLU 122 100 ARG 123 101 THR 124 102 ASN 125 103 LEU 126 104 ASP 127 105 ARG 128 106 LEU 129 107 LYS 130 108 GLY 131 109 LEU 132 110 ALA 133 111 ASP 134 112 GLY 135 113 MET 136 114 VAL 137 115 GLY 138 116 ASN 139 117 PRO 140 118 GLN 141 119 GLY 142 120 GLN 143 121 ALA 144 122 ALA 145 123 LEU 146 124 LEU 147 125 ARG 148 126 PRO 149 127 GLY 150 128 GLU 151 129 LEU 152 130 VAL 153 131 ALA 154 132 ILE 155 133 THR 156 134 ALA 157 135 SER 158 136 ALA 159 137 LEU 160 138 GLN 161 139 ALA 162 140 PHE 163 141 ARG 164 142 GLU 165 143 VAL 166 144 ALA 167 145 ARG 168 146 LEU 169 147 ALA 170 148 GLU 171 149 PRO 172 150 ALA 173 151 GLY 174 152 PRO 175 153 TRP 176 154 ALA 177 155 ASP 178 156 ILE 179 157 THR 180 158 GLN 181 159 GLY 182 160 PRO 183 161 SER 184 162 GLU 185 163 SER 186 164 PHE 187 165 VAL 188 166 ASP 189 167 PHE 190 168 ALA 191 169 ASN 192 170 ARG 193 171 LEU 194 172 ILE 195 173 LYS 196 174 ALA 197 175 VAL 198 176 GLU 199 177 GLY 200 178 SER 201 179 ASP 202 180 LEU 203 181 PRO 204 182 PRO 205 183 SER 206 184 ALA 207 185 ARG 208 186 ALA 209 187 PRO 210 188 VAL 211 189 ILE 212 190 ILE 213 191 ASP 214 192 CYS 215 193 PHE 216 194 ARG 217 195 GLN 218 196 LYS 219 197 SER 220 198 GLN 221 199 PRO 222 200 ASP 223 201 ILE 224 202 GLN 225 203 GLN 226 204 LEU 227 205 ILE 228 206 ARG 229 207 ALA 230 208 ALA 231 209 PRO 232 210 SER 233 211 THR 234 212 LEU 235 213 THR 236 214 THR 237 215 PRO 238 216 GLY 239 217 GLU 240 218 ILE 241 219 ILE 242 220 LYS 243 221 TYR 244 222 VAL 245 223 LEU 246 224 ASP 247 225 ARG 248 226 GLN 249 227 LYS 250 228 ILE 251 229 ALA 252 230 PRO 253 231 LEU 254 232 THR 255 233 ASP 256 234 GLN 257 235 GLY 258 236 ILE 259 237 ALA 260 238 ALA 261 239 ALA 262 240 MET stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-25 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 PDB 1D1D "Nmr Solution Structure Of The Capsid Protein From Rous Sarcoma Virus" 100.00 262 100.00 100.00 0.00e+00 PDB 1EM9 "Rous Sarcoma Virus Capsid Protein: N-Terminal Domain" 58.78 154 99.35 100.00 3.84e-102 PDB 1P7N "Dimeric Rous Sarcoma Virus Capsid Protein Structure With An Upstream 25-Amino Acid Residue Extension Of C-Terminal Of Gag P10 P" 56.49 176 99.32 100.00 1.15e-96 PDB 2X8Q "Cryo-Em 3d Model Of The Icosahedral Particle Composed Of Rous Sarcoma Virus Capsid Protein Pentamers" 86.26 226 98.67 99.12 1.94e-157 PDB 3TIR "Pseudo-Atomic Model Of The Rous Sarcoma Virus Capsid Hexamer" 86.26 226 98.67 99.12 1.94e-157 PDB 5A9E "Cryo-electron Tomography And Subtomogram Averaging Of Rous- Sarcoma-virus Deltambd Virus-like Particles" 91.98 495 98.34 98.76 8.83e-165 DBJ BAA01499 "gag polyprotein [Rous sarcoma virus - Schmidt-Ruppin D]" 91.98 699 99.17 99.59 1.92e-163 DBJ BAC65349 "gag protein [Cloning vector RCAS-L14]" 91.98 703 100.00 100.00 1.38e-164 DBJ BAC78442 "gag protein [Avian leukosis virus]" 91.98 701 99.17 99.59 2.91e-163 DBJ BAG16456 "gag protein [Avian leukosis virus]" 91.98 703 97.51 98.34 5.00e-160 DBJ BAK64239 "gag protein [Avian leukosis virus]" 91.98 701 99.59 99.59 8.38e-164 EMBL CAA24499 "p96 polyprotein [Avian myelocytomatosis virus]" 81.30 875 98.59 99.06 7.91e-140 EMBL CAA24512 "polyprotein gag [Rous sarcoma virus]" 91.98 701 98.34 98.76 6.60e-162 EMBL CAA32008 "unnamed protein product [Avian retrovirus IC10]" 91.98 1079 99.17 99.17 9.85e-160 EMBL CAA36153 "unnamed protein product [Rous sarcoma virus]" 91.98 701 97.10 97.93 5.87e-159 EMBL CAA48534 "gag [Rous sarcoma virus]" 91.98 701 97.10 97.93 5.87e-159 GB AAA19606 "gag protein, partial [Rous sarcoma virus]" 91.98 648 98.76 99.17 4.24e-163 GB AAA19607 "gag protein, partial [Rous sarcoma virus]" 91.98 648 100.00 100.00 3.24e-165 GB AAA19608 "gag protein, partial [Rous sarcoma virus]" 91.98 650 100.00 100.00 1.65e-165 GB AAA42377 "AS42-specific fusion protein, partial [Avian musculoaponeurotic fibrosarcoma virus AS42]" 91.98 648 97.51 98.34 2.67e-161 GB AAA42406 "gag-myc fusion protein [Avian myelocytomatosis virus]" 81.30 875 99.06 99.53 3.39e-141 PIR FOFV29 "gag-myc polyprotein - avian myelocytomatosis virus MC29 (provirus)" 81.30 875 98.59 99.06 7.91e-140 PRF 2019512A "gag gene" 91.98 648 98.76 99.17 4.24e-163 PRF 2019512B "gag gene" 91.98 648 100.00 100.00 3.24e-165 PRF 2019512C "gag gene" 91.98 650 100.00 100.00 1.65e-165 REF NP_045935 "p110 [Avian myelocytomatosis virus]" 81.30 875 98.59 99.06 7.91e-140 REF NP_056886 "Pr180 polyprotein precursor [Rous sarcoma virus]" 91.98 1603 98.34 98.76 1.08e-152 REF NP_056887 "Pr76 polyprotein precursor [Rous sarcoma virus]" 91.98 701 98.34 98.76 6.60e-162 REF NP_955601 "CA [Avian myelocytomatosis virus]" 80.92 212 98.58 99.06 7.09e-146 REF NP_955609 "p27 CA [Rous sarcoma virus]" 91.60 240 98.33 98.75 5.71e-167 SP O92954 "RecName: Full=Gag-Pro polyprotein; Contains: RecName: Full=Matrix protein p19; Contains: RecName: Full=p2A; Contains: RecName: " 91.98 701 100.00 100.00 1.65e-164 SP O92956 "RecName: Full=Gag-Pro-Pol polyprotein; Contains: RecName: Full=Matrix protein p19; Contains: RecName: Full=p2A; Contains: RecNa" 91.98 1603 100.00 100.00 2.53e-155 SP P03322 "RecName: Full=Gag-Pro polyprotein; Contains: RecName: Full=p3; Contains: RecName: Full=Matrix protein p19; Contains: RecName: F" 91.98 701 98.34 98.76 6.60e-162 SP P03323 "RecName: Full=Gag polyprotein; Contains: RecName: Full=Matrix protein p19; Contains: RecName: Full=Core protein p10; Contains: " 81.30 453 98.59 99.06 4.36e-144 SP P03354 "RecName: Full=Gag-Pro-Pol polyprotein; Contains: RecName: Full=Matrix protein p19; Contains: RecName: Full=p2A; Contains: RecNa" 91.98 1603 98.34 98.76 1.08e-152 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _Organism_acronym _ICTVdb_decimal_code _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _ATCC_number _Details $CA_RSV 'Rous Sarcoma Virus' RSV 61.0.3.0.007 11889 . . 'Avian type C retroviruses' 'Rous Sarcoma Virus' ATCC45000 'CA_RSV is a recombinant protein overexpressed in E. coli (see molecular system description).' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name _Vendor_name _Details $CA_RSV 'recombinant technology' 'E. coli' Escherichia coli 'HMS174(DE3) pLysS' plasmid pET16b Novagen ATCC45000 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; Samples were either in 90%H2O/10%D2O or in 100%D2O, 1 mM protein concentration, 10 mM phosphate pH 6.0, 0.2 mM N3Na, 0.1 mM EDTA, 0.1 mM PMSF, 1 mg/L pepstatin A, and 5 mM beta-mercaptoethanol. ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $CA_RSV 1.0 mM . . '[U-13C; U-15N]' H2O . % 0 90 . D2O . % 10 100 . phosphate 10 mM . . . N3Na 0.2 mM . . . EDTA 0.1 mM . . . PMSF 0.1 mM . . . 'pepstatin A' 1 mg/L . . . beta-mercaptoethanol 5 mM . . . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details ; Samples were either in 90%H2O/10%D2O or in 100%D2O, 1 mM protein concentration, 10 mM phosphate pH 6.0, 0.2 mM N3Na, 0.1 mM EDTA, 0.1 mM PMSF, 1 mg/L pepstatin A, and 5 mM beta-mercaptoethanol. ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $CA_RSV 1.0 mM . . [U-15N] H2O . % 0 90 . D2O . % 10 100 . phosphate 10 mM . . . N3Na 0.2 mM . . . EDTA 0.1 mM . . . PMSF 0.1 mM . . . 'pepstatin A' 1 mg/L . . . beta-mercaptoethanol 5 mM . . . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details ; Samples were either in 90%H2O/10%D2O or in 100%D2O, 1 mM protein concentration, 10 mM phosphate pH 6.0, 0.2 mM N3Na, 0.1 mM EDTA, 0.1 mM PMSF, 1 mg/L pepstatin A, and 5 mM beta-mercaptoethanol. ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $CA_RSV 1.0 mM . . '[U-80% 2H; U-13C; U-15N]' H2O . % 0 90 . D2O . % 10 100 . phosphate 10 mM . . . N3Na 0.2 mM . . . EDTA 0.1 mM . . . PMSF 0.1 mM . . . 'pepstatin A' 1 mg/L . . . beta-mercaptoethanol 5 mM . . . stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details ; Samples were either in 90%H2O/10%D2O or in 100%D2O, 1 mM protein concentration, 10 mM phosphate pH 6.0, 0.2 mM N3Na, 0.1 mM EDTA, 0.1 mM PMSF, 1 mg/L pepstatin A, and 5 mM beta-mercaptoethanol. ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $CA_RSV 1.0 mM . . '[U-80% 2H; U-15N]' H2O . % 0 90 . D2O . % 10 100 . phosphate 10 mM . . . N3Na 0.2 mM . . . EDTA 0.1 mM . . . PMSF 0.1 mM . . . 'pepstatin A' 1 mg/L . . . beta-mercaptoethanol 5 mM . . . stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details ; Samples were either in 90%H2O/10%D2O or in 100%D2O, 1 mM protein concentration, 10 mM phosphate pH 6.0, 0.2 mM N3Na, 0.1 mM EDTA, 0.1 mM PMSF, 1 mg/L pepstatin A, and 5 mM beta-mercaptoethanol. ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $CA_RSV 1.0 mM . . [U-15N]-V H2O . % 0 90 . D2O . % 10 100 . phosphate 10 mM . . . N3Na 0.2 mM . . . EDTA 0.1 mM . . . PMSF 0.1 mM . . . 'pepstatin A' 1 mg/L . . . beta-mercaptoethanol 5 mM . . . stop_ save_ save_sample_6 _Saveframe_category sample _Sample_type solution _Details ; Samples were either in 90%H2O/10%D2O or in 100%D2O, 1 mM protein concentration, 10 mM phosphate pH 6.0, 0.2 mM N3Na, 0.1 mM EDTA, 0.1 mM PMSF, 1 mg/L pepstatin A, and 5 mM beta-mercaptoethanol. ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $CA_RSV 1.0 mM . . [U-15N]-L H2O . % 0 90 . D2O . % 10 100 . phosphate 10 mM . . . N3Na 0.2 mM . . . EDTA 0.1 mM . . . PMSF 0.1 mM . . . 'pepstatin A' 1 mg/L . . . beta-mercaptoethanol 5 mM . . . stop_ save_ save_sample_7 _Saveframe_category sample _Sample_type solution _Details ; Samples were either in 90%H2O/10%D2O or in 100%D2O, 1 mM protein concentration, 10 mM phosphate pH 6.0, 0.2 mM N3Na, 0.1 mM EDTA, 0.1 mM PMSF, 1 mg/L pepstatin A, and 5 mM beta-mercaptoethanol. ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $CA_RSV 1.0 mM . . [U-15N]-I H2O . % 0 90 . D2O . % 10 100 . phosphate 10 mM . . . N3Na 0.2 mM . . . EDTA 0.1 mM . . . PMSF 0.1 mM . . . 'pepstatin A' 1 mg/L . . . beta-mercaptoethanol 5 mM . . . stop_ save_ save_sample_8 _Saveframe_category sample _Sample_type solution _Details ; Samples were either in 90%H2O/10%D2O or in 100%D2O, 1 mM protein concentration, 10 mM phosphate pH 6.0, 0.2 mM N3Na, 0.1 mM EDTA, 0.1 mM PMSF, 1 mg/L pepstatin A, and 5 mM beta-mercaptoethanol. ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $CA_RSV 1.0 mM . . [U-15N]-D,N,E,Q,S,F,Y,W,C H2O . % 0 90 . D2O . % 10 100 . phosphate 10 mM . . . N3Na 0.2 mM . . . EDTA 0.1 mM . . . PMSF 0.1 mM . . . 'pepstatin A' 1 mg/L . . . beta-mercaptoethanol 5 mM . . . stop_ save_ save_sample_9 _Saveframe_category sample _Sample_type solution _Details ; Samples were either in 90%H2O/10%D2O or in 100%D2O, 1 mM protein concentration, 10 mM phosphate pH 6.0, 0.2 mM N3Na, 0.1 mM EDTA, 0.1 mM PMSF, 1 mg/L pepstatin A, and 5 mM beta-mercaptoethanol. ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $CA_RSV 1.0 mM . . '[U-10% 13C; U-15N]' H2O . % 0 90 . D2O . % 10 100 . phosphate 10 mM . . . N3Na 0.2 mM . . . EDTA 0.1 mM . . . PMSF 0.1 mM . . . 'pepstatin A' 1 mg/L . . . beta-mercaptoethanol 5 mM . . . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions _Saveframe_category sample_conditions _Details ; Samples were either in 90%H2O/10%D2O or in 100%D2O, ~1 mM protein concentration, 10 mM phosphate pH 6.0, 0.2 mM N3Na, 0.1 mM EDTA, 0.1 mM PMSF, 1 mg/L pepstatin A, and 5 mM beta-mercaptoethanol. ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 0.1 n/a temperature 303 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details ; 1H is referenced directly by assigning to the detected H2O signal (at 303K) a value of 4.725167 ppm. 13C and 15N shifts are referenced indirectly to 1H. The errors in the chemical shift of a particular atom are upper limit estimates from the spectral resolution in the spectrum where the corresponding signal was assigned. H and N are obtained from HSQC, C' from HNCO, and aliphatic/aromatic H and C from 4D-C,C-NOESY. ; 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 _Correction_value DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 H2O H 1 proton ppm 4.725167 internal direct . . . . DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts _Saveframe_category assigned_chemical_shifts _Details ; Backbone assignments were obtained using data recorded on both protonated and deuterated protein. This entry contains only the chemical shifts of the protonated sample. 1HN and 15N shifts are obtained from the 1H-15N HSQC, aliphatic and aromatic 1H and 13C shifts are from two different 1H-13C HMQC spectra optimized for each region, and CO shifts are determined from the HNCO spectra. The native sequence is numbered with "Residue Seq_code" from 1 to 240. "Residue Seq_code" from -22 to -1 are used to identify the non-native, N-terminal extension, from N to C termini. ; loop_ _Sample_label $sample_1 $sample_2 $sample_3 $sample_4 $sample_5 $sample_6 $sample_7 $sample_8 $sample_9 stop_ _Sample_conditions_label $sample_conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'CA RSV' _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 . 11 HIS CA C 55.89 0.20 1 2 . 11 HIS HA H 4.58 0.08 1 3 . 11 HIS CB C 30.18 0.20 1 4 . 11 HIS HB3 H 2.99 0.08 2 5 . 11 HIS HB2 H 3.07 0.08 2 6 . 11 HIS CD2 C 119.74 0.20 1 7 . 11 HIS HD2 H 7.04 0.08 2 8 . 11 HIS CE1 C 137.33 0.20 1 9 . 11 HIS HE1 H 8.16 0.08 1 10 . 12 SER CA C 58.64 0.20 1 11 . 12 SER HA H 4.46 0.08 1 12 . 12 SER CB C 63.78 0.20 1 13 . 12 SER HB3 H 3.88 0.08 2 14 . 12 SER HB2 H 4.08 0.08 2 15 . 13 SER CA C 58.41 0.20 1 16 . 13 SER HA H 4.47 0.08 1 17 . 14 GLY CA C 45.33 0.20 1 18 . 14 GLY HA2 H 3.92 0.08 2 19 . 15 HIS C C 179.38 0.05 1 20 . 16 ILE N N 122.93 0.05 1 21 . 16 ILE H H 8.21 0.02 1 22 . 16 ILE CA C 61.08 0.20 1 23 . 16 ILE HA H 4.11 0.08 1 24 . 16 ILE CB C 38.94 0.20 1 25 . 16 ILE HB H 1.78 0.08 1 26 . 16 ILE CG1 C 27.41 0.20 1 27 . 16 ILE HG13 H 1.10 0.08 2 28 . 16 ILE HG12 H 1.39 0.08 2 29 . 16 ILE CG2 C 17.71 0.20 1 30 . 16 ILE HG2 H 0.84 0.08 1 31 . 16 ILE C C 176.03 0.05 1 32 . 17 GLU N N 125.56 0.05 1 33 . 17 GLU H H 8.55 0.02 1 34 . 17 GLU CA C 56.89 0.20 1 35 . 17 GLU HA H 4.26 0.08 1 36 . 17 GLU CB C 30.37 0.20 1 37 . 17 GLU HB3 H 1.94 0.08 2 38 . 17 GLU HB2 H 2.04 0.08 2 39 . 17 GLU C C 177.03 0.05 1 40 . 18 GLY N N 110.33 0.05 1 41 . 18 GLY H H 8.42 0.02 1 42 . 18 GLY CA C 45.40 0.20 1 43 . 18 GLY HA2 H 3.94 0.08 2 44 . 18 GLY C C 179.47 0.05 1 45 . 19 ARG N N 120.21 0.05 1 46 . 19 ARG H H 8.11 0.02 1 47 . 19 ARG CA C 56.22 0.20 1 48 . 19 ARG HA H 4.28 0.08 1 49 . 21 ASN CA C 53.23 0.20 1 50 . 21 ASN HA H 4.66 0.08 1 51 . 21 ASN CB C 38.87 0.20 1 52 . 21 ASN HB3 H 2.68 0.08 2 53 . 21 ASN HB2 H 2.79 0.08 2 54 . 21 ASN CG C 177.24 0.20 1 55 . 21 ASN ND2 N 112.59 0.05 1 56 . 21 ASN HD21 H 7.54 0.02 1 57 . 21 ASN HD22 H 6.85 0.02 1 58 . 21 ASN C C 174.77 0.05 1 59 . 22 MET N N 121.53 0.05 1 60 . 22 MET H H 8.21 0.02 1 61 . 22 MET CA C 53.34 0.20 1 62 . 22 MET HA H 4.79 0.08 1 63 . 22 MET CB C 32.70 0.20 1 64 . 22 MET HB3 H 1.94 0.08 2 65 . 22 MET HB2 H 2.07 0.08 2 66 . 22 MET CG C 32.50 0.20 1 67 . 22 MET HG3 H 2.50 0.08 2 68 . 22 MET HG2 H 2.55 0.08 2 69 . 23 PRO HA H 4.442 0.08 1 70 . 23 PRO CA C 63.101 0.20 1 71 . 23 PRO CB C 32.222 0.20 1 72 . 23 PRO HB3 H 1.876 0.08 2 73 . 23 PRO HB2 H 2.279 0.08 2 74 . 23 PRO CG C 27.530 0.20 1 75 . 23 PRO HG2 H 2.012 0.08 2 76 . 23 PRO CD C 50.597 0.20 1 77 . 23 PRO HD3 H 3.649 0.08 2 78 . 23 PRO HD2 H 3.772 0.08 2 79 . 23 PRO C C 176.684 0.05 1 80 . 24 VAL N N 120.847 0.05 1 81 . 24 VAL H H 8.163 0.02 1 82 . 24 VAL CA C 62.350 0.20 1 83 . 24 VAL HA H 4.068 0.08 1 84 . 24 VAL CB C 33.001 0.20 1 85 . 24 VAL HB H 2.006 0.08 1 86 . 24 VAL CG2 C 20.938 0.20 1 87 . 24 VAL HG2 H 0.935 0.08 2 88 . 24 VAL CG1 C 21.320 0.20 1 89 . 24 VAL HG1 H 0.889 0.08 1 90 . 24 VAL C C 176.145 0.05 1 91 . 25 VAL N N 125.294 0.05 1 92 . 25 VAL H H 8.207 0.02 1 93 . 25 VAL CA C 62.347 0.20 1 94 . 25 VAL HA H 4.066 0.08 1 95 . 25 VAL CB C 32.782 0.20 1 96 . 25 VAL HB H 2.006 0.08 1 97 . 25 VAL CG2 C 20.972 0.20 1 98 . 25 VAL HG2 H 0.940 0.08 2 99 . 25 VAL CG1 C 21.378 0.20 1 100 . 25 VAL HG1 H 0.885 0.08 1 101 . 25 VAL C C 175.875 0.05 1 102 . 26 ILE N N 126.249 0.05 1 103 . 26 ILE H H 8.283 0.02 1 104 . 26 ILE CA C 60.681 0.20 1 105 . 26 ILE HA H 4.172 0.08 1 106 . 26 ILE CB C 38.778 0.20 1 107 . 26 ILE HB H 1.838 0.08 1 108 . 26 ILE CG1 C 27.425 0.20 1 109 . 26 ILE HG13 H 1.168 0.08 2 110 . 26 ILE HG12 H 1.454 0.08 2 111 . 26 ILE CD1 C 12.858 0.20 1 112 . 26 ILE HD1 H 0.828 0.08 1 113 . 26 ILE CG2 C 17.698 0.20 1 114 . 26 ILE HG2 H 0.897 0.08 1 115 . 26 ILE C C 176.000 0.05 1 116 . 27 LYS N N 126.603 0.05 1 117 . 27 LYS H H 8.421 0.02 1 118 . 27 LYS CA C 56.168 0.20 1 119 . 27 LYS HA H 4.437 0.08 1 120 . 27 LYS CB C 33.387 0.20 1 121 . 27 LYS HB3 H 1.757 0.08 2 122 . 27 LYS HB2 H 1.860 0.08 2 123 . 27 LYS CG C 24.993 0.20 1 124 . 27 LYS HG2 H 1.403 0.08 2 125 . 27 LYS CD C 29.179 0.20 1 126 . 27 LYS HD2 H 1.687 0.08 2 127 . 27 LYS CE C 42.061 0.20 1 128 . 27 LYS HE2 H 2.986 0.08 2 129 . 27 LYS C C 176.522 0.05 1 130 . 28 THR N N 116.650 0.05 1 131 . 28 THR H H 8.234 0.02 1 132 . 28 THR CA C 61.649 0.20 1 133 . 28 THR HA H 4.354 0.08 1 134 . 28 THR CB C 69.785 0.20 1 135 . 28 THR HB H 4.227 0.08 1 136 . 28 THR CG2 C 21.701 0.20 1 137 . 28 THR HG2 H 1.194 0.08 1 138 . 28 THR C C 174.531 0.05 1 139 . 29 GLU N N 123.323 0.05 1 140 . 29 GLU H H 8.443 0.02 1 141 . 29 GLU CA C 56.333 0.20 1 142 . 29 GLU HA H 4.407 0.08 1 143 . 29 GLU CB C 30.770 0.20 1 144 . 29 GLU HB3 H 1.940 0.08 2 145 . 29 GLU HB2 H 2.100 0.08 2 146 . 29 GLU CG C 36.340 0.20 1 147 . 29 GLU HG2 H 2.275 0.08 2 148 . 29 GLU C C 176.531 0.05 1 149 . 30 GLY N N 110.206 0.05 1 150 . 30 GLY H H 8.241 0.02 1 151 . 30 GLY CA C 44.569 0.20 1 152 . 30 GLY HA3 H 4.062 0.08 2 153 . 30 GLY HA2 H 4.163 0.08 2 154 . 30 GLY C C 171.669 0.05 1 155 . 31 PRO CA C 63.034 0.20 1 156 . 31 PRO HA H 4.440 0.08 1 157 . 31 PRO CB C 32.379 0.20 1 158 . 31 PRO HB3 H 1.864 0.08 2 159 . 31 PRO HB2 H 2.235 0.08 2 160 . 31 PRO CG C 27.298 0.20 1 161 . 31 PRO HG2 H 2.012 0.08 2 162 . 31 PRO CD C 49.893 0.20 1 163 . 31 PRO HD2 H 3.615 0.08 2 164 . 31 PRO C C 176.754 0.05 1 165 . 32 ALA N N 124.325 0.05 1 166 . 32 ALA H H 8.433 0.02 1 167 . 32 ALA CA C 52.325 0.20 1 168 . 32 ALA HA H 4.404 0.08 1 169 . 32 ALA CB C 19.825 0.20 1 170 . 32 ALA HB H 1.428 0.08 1 171 . 32 ALA C C 177.132 0.05 1 172 . 33 TRP N N 120.390 0.05 1 173 . 33 TRP H H 8.173 0.02 1 174 . 33 TRP CA C 57.142 0.20 1 175 . 33 TRP HA H 4.709 0.08 1 176 . 33 TRP CB C 30.170 0.20 1 177 . 33 TRP HB2 H 3.132 0.08 2 178 . 33 TRP CD1 C 127.411 0.20 1 179 . 33 TRP HD1 H 7.340 0.08 2 180 . 33 TRP NE1 N 133.127 0.05 1 181 . 33 TRP HE1 H 11.347 0.08 1 182 . 33 TRP CZ2 C 114.374 0.20 1 183 . 33 TRP HZ2 H 7.606 0.08 1 184 . 33 TRP CH2 C 123.993 0.20 1 185 . 33 TRP HH2 H 7.147 0.08 1 186 . 33 TRP CZ3 C 120.474 0.20 1 187 . 33 TRP HZ3 H 7.418 0.08 1 188 . 33 TRP CE3 C 121.463 0.20 1 189 . 33 TRP HE3 H 6.992 0.08 1 190 . 33 TRP C C 175.473 0.05 1 191 . 34 THR N N 122.625 0.05 1 192 . 34 THR H H 7.913 0.02 1 193 . 34 THR CA C 58.296 0.20 1 194 . 34 THR HA H 4.169 0.08 1 195 . 34 THR CB C 70.450 0.20 1 196 . 34 THR HB H 3.867 0.08 1 197 . 34 THR CG2 C 21.186 0.20 1 198 . 34 THR HG2 H 1.068 0.08 1 199 . 34 THR C C 173.062 0.05 1 200 . 35 PRO CA C 62.018 0.20 1 201 . 35 PRO HA H 4.236 0.08 1 202 . 35 PRO CB C 32.456 0.20 1 203 . 35 PRO HB3 H 1.769 0.08 2 204 . 35 PRO HB2 H 2.218 0.08 2 205 . 35 PRO CG C 26.583 0.20 1 206 . 35 PRO HG3 H 1.354 0.08 2 207 . 35 PRO HG2 H 1.636 0.08 2 208 . 35 PRO CD C 50.514 0.20 1 209 . 35 PRO HD3 H 2.696 0.08 2 210 . 35 PRO HD2 H 3.302 0.08 2 211 . 35 PRO C C 177.259 0.05 1 212 . 36 LEU N N 123.021 0.05 1 213 . 36 LEU H H 8.487 0.02 1 214 . 36 LEU CA C 54.964 0.20 1 215 . 36 LEU HA H 4.170 0.08 1 216 . 36 LEU CB C 42.701 0.20 1 217 . 36 LEU HB3 H 1.286 0.08 2 218 . 36 LEU HB2 H 1.689 0.08 2 219 . 36 LEU CG C 27.455 0.20 1 220 . 36 LEU HG H 1.752 0.08 1 221 . 36 LEU CD1 C 25.971 0.20 1 222 . 36 LEU HD1 H 0.937 0.08 1 223 . 36 LEU CD2 C 24.717 0.20 1 224 . 36 LEU HD2 H 0.922 0.08 2 225 . 36 LEU C C 177.049 0.05 1 226 . 37 GLU N N 125.392 0.05 1 227 . 37 GLU H H 8.195 0.02 1 228 . 37 GLU CA C 54.452 0.20 1 229 . 37 GLU HA H 4.378 0.08 1 230 . 37 GLU CB C 30.392 0.20 1 231 . 37 GLU HB2 H 2.059 0.08 2 232 . 37 GLU CG C 36.693 0.20 1 233 . 37 GLU HG2 H 2.366 0.08 2 234 . 37 GLU C C 176.348 0.05 1 235 . 38 PRO CA C 66.042 0.20 1 236 . 38 PRO HA H 4.099 0.08 1 237 . 38 PRO CB C 32.420 0.20 1 238 . 38 PRO HB3 H 1.974 0.08 2 239 . 38 PRO HB2 H 2.366 0.08 2 240 . 38 PRO CG C 27.964 0.20 1 241 . 38 PRO HG2 H 2.009 0.08 2 242 . 38 PRO CD C 51.759 0.20 1 243 . 38 PRO HD3 H 3.824 0.08 2 244 . 38 PRO HD2 H 4.114 0.08 2 245 . 38 PRO C C 179.488 0.05 1 246 . 39 LYS N N 116.087 0.05 1 247 . 39 LYS H H 9.021 0.02 1 248 . 39 LYS CA C 59.338 0.20 1 249 . 39 LYS HA H 4.108 0.08 1 250 . 39 LYS CB C 32.178 0.20 1 251 . 39 LYS HB2 H 1.856 0.08 2 252 . 39 LYS CG C 25.179 0.20 1 253 . 39 LYS HG2 H 1.452 0.08 2 254 . 39 LYS CD C 29.215 0.20 1 255 . 39 LYS HD2 H 1.671 0.08 2 256 . 39 LYS CE C 42.458 0.20 1 257 . 39 LYS HE2 H 2.954 0.08 2 258 . 39 LYS C C 179.411 0.05 1 259 . 40 LEU N N 119.380 0.05 1 260 . 40 LEU H H 7.611 0.02 1 261 . 40 LEU CA C 57.225 0.20 1 262 . 40 LEU HA H 4.163 0.08 1 263 . 40 LEU CB C 41.650 0.20 1 264 . 40 LEU HB3 H 1.615 0.08 2 265 . 40 LEU HB2 H 1.928 0.08 2 266 . 40 LEU CG C 27.402 0.20 1 267 . 40 LEU HG H 1.612 0.08 1 268 . 40 LEU CD1 C 25.407 0.20 1 269 . 40 LEU HD1 H 0.961 0.08 1 270 . 40 LEU CD2 C 23.186 0.20 1 271 . 40 LEU HD2 H 0.862 0.08 2 272 . 40 LEU C C 179.554 0.05 1 273 . 41 ILE N N 120.494 0.05 1 274 . 41 ILE H H 7.360 0.02 1 275 . 41 ILE CA C 65.487 0.20 1 276 . 41 ILE HA H 3.407 0.08 1 277 . 41 ILE CB C 37.656 0.20 1 278 . 41 ILE HB H 1.994 0.08 1 279 . 41 ILE CG1 C 28.271 0.20 1 280 . 41 ILE HG13 H 0.832 0.08 2 281 . 41 ILE HG12 H 1.600 0.08 2 282 . 41 ILE CD1 C 13.358 0.20 1 283 . 41 ILE HD1 H 0.785 0.08 1 284 . 41 ILE CG2 C 17.754 0.20 1 285 . 41 ILE HG2 H 0.864 0.08 1 286 . 41 ILE C C 177.758 0.05 1 287 . 42 THR N N 114.672 0.05 1 288 . 42 THR H H 8.226 0.02 1 289 . 42 THR CA C 66.314 0.20 1 290 . 42 THR HA H 3.799 0.08 1 291 . 42 THR CB C 68.477 0.20 1 292 . 42 THR HB H 4.103 0.08 1 293 . 42 THR CG2 C 22.698 0.20 1 294 . 42 THR HG2 H 1.200 0.08 1 295 . 42 THR C C 176.716 0.05 1 296 . 43 ARG N N 121.438 0.05 1 297 . 43 ARG H H 7.555 0.02 1 298 . 43 ARG CA C 59.481 0.20 1 299 . 43 ARG HA H 4.135 0.08 1 300 . 43 ARG CB C 30.582 0.20 1 301 . 43 ARG HB2 H 1.909 0.08 2 302 . 43 ARG CG C 27.542 0.20 1 303 . 43 ARG HG3 H 1.632 0.08 2 304 . 43 ARG HG2 H 1.732 0.08 2 305 . 43 ARG CD C 43.813 0.20 1 306 . 43 ARG HD2 H 3.203 0.08 2 307 . 43 ARG C C 178.814 0.05 1 308 . 44 LEU N N 121.469 0.05 1 309 . 44 LEU H H 7.727 0.02 1 310 . 44 LEU CA C 57.732 0.20 1 311 . 44 LEU HA H 4.188 0.08 1 312 . 44 LEU CB C 41.337 0.20 1 313 . 44 LEU HB2 H 1.653 0.08 2 314 . 44 LEU CG C 27.260 0.20 1 315 . 44 LEU HG H 1.683 0.08 1 316 . 44 LEU CD1 C 27.042 0.20 1 317 . 44 LEU HD1 H 0.788 0.08 1 318 . 44 LEU CD2 C 23.722 0.20 1 319 . 44 LEU HD2 H 0.883 0.08 2 320 . 44 LEU C C 178.541 0.05 1 321 . 45 ALA N N 121.915 0.05 1 322 . 45 ALA H H 8.613 0.02 1 323 . 45 ALA CA C 55.712 0.20 1 324 . 45 ALA HA H 3.884 0.08 1 325 . 45 ALA CB C 17.961 0.20 1 326 . 45 ALA HB H 1.482 0.08 1 327 . 45 ALA C C 180.656 0.05 1 328 . 46 ASP N N 119.106 0.05 1 329 . 46 ASP H H 8.038 0.02 1 330 . 46 ASP CA C 57.603 0.20 1 331 . 46 ASP HA H 4.499 0.08 1 332 . 46 ASP CB C 40.796 0.20 1 333 . 46 ASP HB3 H 2.766 0.08 2 334 . 46 ASP HB2 H 2.870 0.08 2 335 . 46 ASP C C 179.231 0.05 1 336 . 47 THR N N 121.937 0.05 1 337 . 47 THR H H 8.503 0.02 1 338 . 47 THR CA C 67.194 0.20 1 339 . 47 THR HA H 3.815 0.08 1 340 . 47 THR CB C 68.362 0.20 1 341 . 47 THR HB H 4.497 0.08 1 342 . 47 THR CG2 C 17.800 0.20 1 343 . 47 THR HG2 H 1.440 0.08 1 344 . 47 THR C C 176.005 0.05 1 345 . 48 VAL N N 121.712 0.05 1 346 . 48 VAL H H 8.683 0.02 1 347 . 48 VAL CA C 67.187 0.20 1 348 . 48 VAL HA H 3.352 0.08 1 349 . 48 VAL CB C 32.010 0.20 1 350 . 48 VAL HB H 2.146 0.08 1 351 . 48 VAL CG2 C 23.426 0.20 1 352 . 48 VAL HG2 H 1.001 0.08 2 353 . 48 VAL CG1 C 21.949 0.20 1 354 . 48 VAL HG1 H 0.988 0.08 1 355 . 48 VAL C C 179.176 0.05 1 356 . 49 ARG N N 118.569 0.05 1 357 . 49 ARG H H 7.989 0.02 1 358 . 49 ARG CA C 59.571 0.20 1 359 . 49 ARG HA H 4.082 0.08 1 360 . 49 ARG CB C 30.748 0.20 1 361 . 49 ARG HB2 H 1.998 0.08 2 362 . 49 ARG CG C 28.098 0.20 1 363 . 49 ARG HG3 H 1.653 0.08 2 364 . 49 ARG HG2 H 1.776 0.08 2 365 . 49 ARG CD C 43.742 0.20 1 366 . 49 ARG HD2 H 3.229 0.08 2 367 . 49 ARG C C 178.123 0.05 1 368 . 50 THR N N 108.634 0.05 1 369 . 50 THR H H 8.118 0.02 1 370 . 50 THR CA C 64.098 0.20 1 371 . 50 THR HA H 4.265 0.08 1 372 . 50 THR CB C 70.583 0.20 1 373 . 50 THR HB H 4.204 0.08 1 374 . 50 THR CG2 C 21.994 0.20 1 375 . 50 THR HG2 H 1.221 0.08 1 376 . 50 THR C C 176.562 0.05 1 377 . 51 LYS N N 120.005 0.05 1 378 . 51 LYS H H 8.933 0.02 1 379 . 51 LYS CA C 55.928 0.20 1 380 . 51 LYS HA H 4.586 0.08 1 381 . 51 LYS CB C 32.476 0.20 1 382 . 51 LYS HB3 H 1.912 0.08 2 383 . 51 LYS HB2 H 2.143 0.08 2 384 . 51 LYS CG C 25.559 0.20 1 385 . 51 LYS HG3 H 1.446 0.08 2 386 . 51 LYS HG2 H 1.636 0.08 2 387 . 51 LYS CD C 28.317 0.20 1 388 . 51 LYS HD2 H 1.643 0.08 2 389 . 51 LYS CE C 42.452 0.20 1 390 . 51 LYS HE2 H 2.995 0.08 2 391 . 51 LYS C C 178.469 0.05 1 392 . 52 GLY N N 107.461 0.05 1 393 . 52 GLY H H 7.614 0.02 1 394 . 52 GLY CA C 44.433 0.20 1 395 . 52 GLY HA3 H 4.058 0.08 2 396 . 52 GLY HA2 H 4.512 0.08 2 397 . 52 GLY C C 175.126 0.05 1 398 . 53 LEU N N 121.380 0.05 1 399 . 53 LEU H H 8.993 0.02 1 400 . 53 LEU CA C 57.734 0.20 1 401 . 53 LEU HA H 4.216 0.08 1 402 . 53 LEU CB C 43.069 0.20 1 403 . 53 LEU HB3 H 1.466 0.08 2 404 . 53 LEU HB2 H 1.645 0.08 2 405 . 53 LEU CG C 27.357 0.20 1 406 . 53 LEU HG H 1.710 0.08 1 407 . 53 LEU CD1 C 24.980 0.20 1 408 . 53 LEU HD1 H 0.823 0.08 1 409 . 53 LEU CD2 C 25.211 0.20 1 410 . 53 LEU HD2 H 0.903 0.08 2 411 . 53 LEU C C 176.355 0.05 1 412 . 54 ARG N N 112.016 0.05 1 413 . 54 ARG H H 8.032 0.02 1 414 . 54 ARG CA C 55.612 0.20 1 415 . 54 ARG HA H 4.290 0.08 1 416 . 54 ARG CB C 30.864 0.20 1 417 . 54 ARG HB3 H 1.695 0.08 2 418 . 54 ARG HB2 H 2.031 0.08 2 419 . 54 ARG CG C 27.867 0.20 1 420 . 54 ARG HG2 H 1.650 0.08 2 421 . 54 ARG CD C 43.735 0.20 1 422 . 54 ARG HD2 H 3.235 0.08 2 423 . 54 ARG C C 176.705 0.05 1 424 . 55 SER N N 113.497 0.05 1 425 . 55 SER H H 6.856 0.02 1 426 . 55 SER CA C 55.240 0.20 1 427 . 55 SER HA H 4.777 0.08 1 428 . 55 SER CB C 67.965 0.20 1 429 . 55 SER HB2 H 4.363 0.08 2 430 . 55 SER C C 176.845 0.05 9 431 . 56 PRO CA C 63.078 0.20 1 432 . 56 PRO HA H 4.477 0.08 1 433 . 56 PRO CB C 32.458 0.20 1 434 . 56 PRO HB3 H 2.058 0.08 2 435 . 56 PRO HB2 H 2.451 0.08 2 436 . 56 PRO CG C 27.495 0.20 1 437 . 56 PRO HG2 H 2.092 0.08 2 438 . 56 PRO CD C 51.326 0.20 1 439 . 56 PRO HD2 H 3.985 0.08 2 440 . 56 PRO C C 173.962 0.05 1 441 . 57 ILE N N 120.466 0.05 1 442 . 57 ILE H H 8.074 0.02 1 443 . 57 ILE CA C 64.030 0.20 1 444 . 57 ILE HA H 3.802 0.08 1 445 . 57 ILE CB C 37.560 0.20 1 446 . 57 ILE HB H 1.738 0.08 1 447 . 57 ILE CG1 C 28.622 0.20 1 448 . 57 ILE HG13 H 1.242 0.08 2 449 . 57 ILE HG12 H 1.540 0.08 2 450 . 57 ILE CD1 C 12.485 0.20 1 451 . 57 ILE HD1 H 0.877 0.08 1 452 . 57 ILE CG2 C 17.902 0.20 1 453 . 57 ILE HG2 H 0.924 0.08 1 454 . 57 ILE C C 177.587 0.05 1 455 . 58 THR N N 117.201 0.05 1 456 . 58 THR H H 6.605 0.02 1 457 . 58 THR CA C 66.174 0.20 1 458 . 58 THR HA H 3.554 0.08 1 459 . 58 THR CB C 68.347 0.20 1 460 . 58 THR HB H 4.380 0.08 1 461 . 58 THR CG2 C 24.718 0.20 1 462 . 58 THR HG2 H 1.234 0.08 1 463 . 58 THR C C 176.088 0.05 1 464 . 59 MET N N 117.893 0.05 1 465 . 59 MET H H 7.803 0.02 1 466 . 59 MET CA C 57.715 0.20 1 467 . 59 MET HA H 4.311 0.08 1 468 . 59 MET CB C 31.239 0.20 1 469 . 59 MET HB3 H 2.076 0.08 2 470 . 59 MET HB2 H 2.274 0.08 2 471 . 59 MET CG C 32.096 0.20 1 472 . 59 MET HG3 H 2.549 0.08 2 473 . 59 MET HG2 H 2.779 0.08 2 474 . 59 MET CE C 17.737 0.20 1 475 . 59 MET HE H 2.106 0.20 1 476 . 59 MET C C 177.606 0.05 1 477 . 60 ALA N N 119.927 0.05 1 478 . 60 ALA H H 7.775 0.02 1 479 . 60 ALA CA C 54.929 0.20 1 480 . 60 ALA HA H 4.192 0.08 1 481 . 60 ALA CB C 17.931 0.20 1 482 . 60 ALA HB H 1.483 0.08 1 483 . 60 ALA C C 181.380 0.05 1 484 . 61 GLU N N 119.163 0.05 1 485 . 61 GLU H H 7.976 0.02 1 486 . 61 GLU CA C 59.735 0.20 1 487 . 61 GLU HA H 4.090 0.08 1 488 . 61 GLU CB C 29.961 0.20 1 489 . 61 GLU HB2 H 2.054 0.08 2 490 . 61 GLU CG C 36.823 0.20 1 491 . 61 GLU HG3 H 2.234 0.08 2 492 . 61 GLU HG2 H 2.438 0.08 2 493 . 61 GLU C C 179.829 0.05 1 494 . 62 VAL N N 121.317 0.05 1 495 . 62 VAL H H 8.249 0.02 1 496 . 62 VAL CA C 67.160 0.20 1 497 . 62 VAL HA H 3.311 0.08 1 498 . 62 VAL CB C 31.390 0.20 1 499 . 62 VAL HB H 1.775 0.08 1 500 . 62 VAL CG2 C 23.273 0.20 1 501 . 62 VAL HG2 H 0.426 0.08 2 502 . 62 VAL CG1 C 21.298 0.20 1 503 . 62 VAL HG1 H 0.184 0.08 1 504 . 62 VAL C C 177.884 0.05 1 505 . 63 GLU N N 118.638 0.05 1 506 . 63 GLU H H 8.529 0.02 1 507 . 63 GLU CA C 60.163 0.20 1 508 . 63 GLU HA H 3.638 0.08 1 509 . 63 GLU CB C 29.660 0.20 1 510 . 63 GLU HB3 H 1.926 0.08 2 511 . 63 GLU HB2 H 2.171 0.08 2 512 . 63 GLU CG C 37.827 0.20 1 513 . 63 GLU HG3 H 2.147 0.08 2 514 . 63 GLU HG2 H 2.471 0.08 2 515 . 63 GLU C C 179.496 0.05 1 516 . 64 ALA N N 119.545 0.05 1 517 . 64 ALA H H 7.739 0.02 1 518 . 64 ALA CA C 55.096 0.20 1 519 . 64 ALA HA H 4.113 0.08 1 520 . 64 ALA CB C 18.127 0.20 1 521 . 64 ALA HB H 1.512 0.08 1 522 . 64 ALA C C 181.322 0.05 1 523 . 65 LEU N N 120.024 0.05 1 524 . 65 LEU H H 7.573 0.02 1 525 . 65 LEU CA C 57.595 0.20 1 526 . 65 LEU HA H 4.157 0.08 1 527 . 65 LEU CB C 42.261 0.20 1 528 . 65 LEU HB3 H 1.671 0.08 2 529 . 65 LEU HB2 H 1.714 0.08 2 530 . 65 LEU CG C 27.387 0.20 1 531 . 65 LEU HG H 1.709 0.08 1 532 . 65 LEU CD1 C 25.948 0.20 1 533 . 65 LEU HD1 H 0.869 0.08 1 534 . 65 LEU CD2 C 23.454 0.20 1 535 . 65 LEU HD2 H 0.905 0.08 2 536 . 65 LEU C C 178.024 0.05 1 537 . 66 MET N N 114.053 0.05 1 538 . 66 MET H H 7.712 0.02 1 539 . 66 MET CA C 55.370 0.20 1 540 . 66 MET HA H 4.462 0.08 1 541 . 66 MET CB C 31.835 0.20 1 542 . 66 MET HB2 H 1.835 0.08 2 543 . 66 MET CG C 33.706 0.20 1 544 . 66 MET HG3 H 2.127 0.08 2 545 . 66 MET HG2 H 2.564 0.08 2 546 . 66 MET CE C 18.855 0.20 1 547 . 66 MET HE H 1.804 0.20 1 548 . 66 MET C C 174.600 0.05 1 549 . 67 SER N N 112.371 0.05 1 550 . 67 SER H H 7.194 0.02 1 551 . 67 SER CA C 59.820 0.20 1 552 . 67 SER HA H 4.341 0.08 1 553 . 67 SER CB C 63.582 0.20 1 554 . 67 SER HB2 H 4.054 0.08 2 555 . 67 SER C C 174.506 0.05 1 556 . 68 SER N N 118.222 0.05 1 557 . 68 SER H H 7.556 0.02 1 558 . 68 SER CA C 56.130 0.20 1 559 . 68 SER HA H 4.945 0.08 1 560 . 68 SER CB C 64.017 0.20 1 561 . 68 SER HB3 H 3.728 0.08 2 562 . 68 SER HB2 H 3.867 0.08 2 563 . 68 SER C C 171.171 0.05 1 564 . 69 PRO CA C 63.894 0.20 1 565 . 69 PRO HA H 4.312 0.08 1 566 . 69 PRO CB C 32.451 0.20 1 567 . 69 PRO HB2 H 2.023 0.08 2 568 . 69 PRO CG C 28.004 0.20 1 569 . 69 PRO HG3 H 2.002 0.08 2 570 . 69 PRO HG2 H 2.222 0.08 2 571 . 69 PRO CD C 50.876 0.20 1 572 . 69 PRO HD3 H 3.642 0.08 2 573 . 69 PRO HD2 H 3.869 0.08 2 574 . 69 PRO C C 175.960 0.05 1 575 . 70 LEU N N 126.145 0.05 1 576 . 70 LEU H H 8.344 0.02 1 577 . 70 LEU CA C 53.379 0.20 1 578 . 70 LEU HA H 4.863 0.08 1 579 . 70 LEU CG C 26.591 0.20 1 580 . 70 LEU HG H 2.054 0.08 1 581 . 70 LEU CD1 C 27.061 0.20 1 582 . 70 LEU HD1 H 0.866 0.08 1 583 . 70 LEU CD2 C 23.961 0.20 1 584 . 70 LEU HD2 H 0.974 0.08 2 585 . 70 LEU C C 174.526 0.05 1 586 . 71 LEU N N 112.417 0.05 1 587 . 71 LEU H H 8.484 0.02 1 588 . 71 LEU CA C 52.938 0.20 1 589 . 71 LEU HA H 4.566 0.08 1 590 . 71 LEU CG C 26.485 0.20 1 591 . 71 LEU HG H 2.071 0.08 1 592 . 71 LEU CD1 C 27.133 0.20 1 593 . 71 LEU HD1 H 0.621 0.08 1 594 . 71 LEU CD2 C 22.230 0.20 1 595 . 71 LEU HD2 H 0.719 0.08 2 596 . 72 PRO CA C 66.518 0.20 1 597 . 72 PRO HA H 4.376 0.08 1 598 . 72 PRO CB C 31.215 0.20 1 599 . 72 PRO HB3 H 2.045 0.08 2 600 . 72 PRO HB2 H 2.569 0.08 2 601 . 72 PRO C C 178.971 0.05 1 602 . 73 HIS N N 116.022 0.05 1 603 . 73 HIS H H 8.943 0.02 1 604 . 73 HIS CA C 60.640 0.20 1 605 . 73 HIS HA H 4.113 0.08 1 606 . 73 HIS CB C 32.370 0.20 1 607 . 73 HIS HB3 H 2.417 0.08 2 608 . 73 HIS HB2 H 3.170 0.08 2 609 . 73 HIS C C 177.238 0.05 1 610 . 74 ASP N N 115.395 0.05 1 611 . 74 ASP H H 7.047 0.02 1 612 . 74 ASP CA C 57.391 0.20 1 613 . 74 ASP HA H 4.542 0.08 1 614 . 74 ASP CB C 43.123 0.20 1 615 . 74 ASP HB3 H 2.648 0.08 2 616 . 74 ASP HB2 H 3.145 0.08 2 617 . 74 ASP C C 179.170 0.05 1 618 . 75 VAL N N 116.922 0.05 1 619 . 75 VAL H H 8.176 0.02 1 620 . 75 VAL CA C 66.392 0.20 1 621 . 75 VAL HA H 3.522 0.08 1 622 . 75 VAL CB C 31.625 0.20 1 623 . 75 VAL HB H 1.927 0.08 1 624 . 75 VAL CG2 C 23.147 0.20 1 625 . 75 VAL HG2 H 0.949 0.08 2 626 . 75 VAL CG1 C 23.374 0.20 1 627 . 75 VAL HG1 H 0.745 0.08 1 628 . 75 VAL C C 177.046 0.05 1 629 . 76 THR N N 111.117 0.05 1 630 . 76 THR H H 8.194 0.02 1 631 . 76 THR CA C 65.780 0.20 1 632 . 76 THR HA H 3.805 0.08 1 633 . 76 THR CB C 68.327 0.20 1 634 . 76 THR HB H 4.387 0.08 1 635 . 76 THR CG2 C 23.253 0.20 1 636 . 76 THR HG2 H 1.494 0.08 1 637 . 76 THR C C 177.072 0.05 1 638 . 77 ASN N N 119.194 0.05 1 639 . 77 ASN H H 7.223 0.02 1 640 . 77 ASN CA C 56.939 0.20 1 641 . 77 ASN HA H 4.228 0.08 1 642 . 77 ASN CB C 38.690 0.20 1 643 . 77 ASN HB3 H 2.569 0.08 2 644 . 77 ASN HB2 H 2.696 0.08 2 645 . 77 ASN CG C 176.946 0.20 1 646 . 77 ASN ND2 N 113.302 0.05 1 647 . 77 ASN HD21 H 7.565 0.02 1 648 . 77 ASN HD22 H 6.497 0.02 1 649 . 77 ASN C C 176.722 0.05 1 650 . 78 LEU N N 119.444 0.05 1 651 . 78 LEU H H 7.801 0.02 1 652 . 78 LEU CA C 58.309 0.20 1 653 . 78 LEU HA H 3.835 0.08 1 654 . 78 LEU CB C 42.163 0.20 1 655 . 78 LEU HB3 H 1.509 0.08 2 656 . 78 LEU HB2 H 1.800 0.08 2 657 . 78 LEU CG C 27.132 0.20 1 658 . 78 LEU HG H 1.319 0.08 1 659 . 78 LEU CD1 C 24.916 0.20 1 660 . 78 LEU HD1 H 0.737 0.08 1 661 . 78 LEU CD2 C 26.161 0.20 1 662 . 78 LEU HD2 H 0.603 0.08 2 663 . 78 LEU C C 178.035 0.05 1 664 . 79 MET N N 114.779 0.05 1 665 . 79 MET H H 7.559 0.02 1 666 . 79 MET CA C 56.547 0.20 1 667 . 79 MET HA H 3.986 0.08 1 668 . 79 MET CB C 32.455 0.20 1 669 . 79 MET HB3 H 1.868 0.08 2 670 . 79 MET HB2 H 2.215 0.08 2 671 . 79 MET CG C 32.395 0.20 1 672 . 79 MET HG3 H 0.325 0.08 2 673 . 79 MET HG2 H 1.658 0.08 2 674 . 79 MET CE C 18.250 0.20 1 675 . 79 MET HE H 1.346 0.20 1 676 . 79 MET C C 177.542 0.05 1 677 . 80 ARG N N 118.568 0.05 1 678 . 80 ARG H H 7.809 0.02 1 679 . 80 ARG CA C 58.501 0.20 1 680 . 80 ARG HA H 3.297 0.08 1 681 . 80 ARG CB C 29.769 0.20 1 682 . 80 ARG HB3 H 1.324 0.08 2 683 . 80 ARG HB2 H 1.522 0.08 2 684 . 80 ARG CG C 27.388 0.20 1 685 . 80 ARG HG3 H 1.099 0.08 2 686 . 80 ARG HG2 H 1.172 0.08 2 687 . 80 ARG CD C 43.129 0.20 1 688 . 80 ARG HD3 H 2.771 0.08 2 689 . 80 ARG HD2 H 2.920 0.08 2 690 . 80 ARG C C 178.563 0.05 1 691 . 81 VAL N N 116.201 0.05 1 692 . 81 VAL H H 7.279 0.02 1 693 . 81 VAL CA C 65.289 0.20 1 694 . 81 VAL HA H 3.708 0.08 1 695 . 81 VAL CB C 32.136 0.20 1 696 . 81 VAL HB H 1.999 0.08 1 697 . 81 VAL CG2 C 22.445 0.20 1 698 . 81 VAL HG2 H 0.950 0.08 2 699 . 81 VAL CG1 C 21.590 0.20 1 700 . 81 VAL HG1 H 0.794 0.08 1 701 . 81 VAL C C 178.384 0.05 1 702 . 82 ILE N N 111.422 0.05 1 703 . 82 ILE H H 7.656 0.02 1 704 . 82 ILE CA C 63.658 0.20 1 705 . 82 ILE HA H 4.148 0.08 1 706 . 82 ILE CB C 38.671 0.20 1 707 . 82 ILE HB H 1.883 0.08 1 708 . 82 ILE CG1 C 27.319 0.20 1 709 . 82 ILE HG13 H 0.852 0.08 2 710 . 82 ILE HG12 H 1.538 0.08 2 711 . 82 ILE CD1 C 14.148 0.20 1 712 . 82 ILE HD1 H 0.506 0.08 1 713 . 82 ILE CG2 C 18.089 0.20 1 714 . 82 ILE HG2 H 0.817 0.08 1 715 . 82 ILE C C 175.756 0.05 1 716 . 83 LEU N N 118.876 0.05 1 717 . 83 LEU H H 7.926 0.02 1 718 . 83 LEU CA C 54.436 0.20 1 719 . 83 LEU HA H 4.620 0.08 1 720 . 83 LEU CB C 43.623 0.20 1 721 . 83 LEU HB3 H 1.941 0.08 2 722 . 83 LEU HB2 H 2.068 0.08 2 723 . 83 LEU CD1 C 27.094 0.20 1 724 . 83 LEU HD1 H 0.848 0.08 1 725 . 83 LEU CD2 C 23.447 0.20 1 726 . 83 LEU HD2 H 0.908 0.08 2 727 . 83 LEU C C 178.218 0.05 1 728 . 84 GLY N N 105.826 0.05 1 729 . 84 GLY H H 7.749 0.02 1 730 . 84 GLY CA C 44.168 0.20 1 731 . 84 GLY HA3 H 3.700 0.08 2 732 . 84 GLY HA2 H 4.061 0.08 2 733 . 84 GLY C C 172.067 0.05 1 734 . 85 PRO CA C 66.809 0.20 1 735 . 85 PRO HA H 4.185 0.08 1 736 . 85 PRO CD C 49.883 0.20 1 737 . 85 PRO HD2 H 3.637 0.08 2 738 . 85 PRO C C 179.628 0.05 1 739 . 86 ALA N N 119.842 0.05 1 740 . 86 ALA H H 8.947 0.02 1 741 . 86 ALA CA C 56.232 0.20 1 742 . 86 ALA HA H 4.613 0.08 1 743 . 86 ALA CB C 15.770 0.20 1 744 . 86 ALA HB H 1.566 0.08 1 745 . 86 ALA C C 177.940 0.05 1 746 . 87 PRO CA C 65.492 0.20 1 747 . 87 PRO HA H 4.389 0.08 1 748 . 87 PRO CB C 30.839 0.20 1 749 . 87 PRO HB3 H 1.939 0.08 2 750 . 87 PRO HB2 H 2.219 0.08 2 751 . 87 PRO CG C 28.712 0.20 1 752 . 87 PRO HG3 H 1.998 0.08 2 753 . 87 PRO HG2 H 2.273 0.08 2 754 . 87 PRO CD C 50.290 0.20 1 755 . 87 PRO HD3 H 3.548 0.08 2 756 . 87 PRO HD2 H 3.802 0.08 2 757 . 87 PRO C C 177.978 0.05 1 758 . 88 TYR N N 118.235 0.05 1 759 . 88 TYR H H 8.650 0.02 1 760 . 88 TYR CA C 62.478 0.20 1 761 . 88 TYR HA H 4.242 0.08 1 762 . 88 TYR CB C 38.774 0.20 1 763 . 88 TYR HB2 H 3.108 0.08 2 764 . 88 TYR CD1 C 132.597 0.20 1 765 . 88 TYR HD1 H 6.914 0.08 3 766 . 88 TYR CE1 C 118.710 0.20 1 767 . 88 TYR HE1 H 6.851 0.08 3 768 . 88 TYR C C 175.875 0.05 1 769 . 89 ALA N N 121.466 0.05 1 770 . 89 ALA H H 7.780 0.02 1 771 . 89 ALA CA C 55.220 0.20 1 772 . 89 ALA HA H 4.040 0.08 1 773 . 89 ALA CB C 18.033 0.20 1 774 . 89 ALA HB H 1.614 0.08 1 775 . 89 ALA C C 181.222 0.05 1 776 . 90 LEU N N 117.757 0.05 1 777 . 90 LEU H H 7.558 0.02 1 778 . 90 LEU CA C 57.745 0.20 1 779 . 90 LEU HA H 4.165 0.08 1 780 . 90 LEU CB C 42.250 0.20 1 781 . 90 LEU HB3 H 1.562 0.08 2 782 . 90 LEU HB2 H 2.053 0.08 2 783 . 90 LEU CG C 27.045 0.20 1 784 . 90 LEU HG H 1.802 0.08 1 785 . 90 LEU CD1 C 25.045 0.20 1 786 . 90 LEU HD1 H 0.889 0.08 1 787 . 90 LEU CD2 C 23.330 0.20 1 788 . 90 LEU HD2 H 0.908 0.08 2 789 . 90 LEU C C 178.609 0.05 1 790 . 91 TRP N N 121.334 0.05 9 791 . 91 TRP H H 9.158 0.02 9 792 . 91 TRP CA C 63.071 0.20 1 793 . 91 TRP HA H 3.735 0.08 1 794 . 91 TRP CB C 28.077 0.20 1 795 . 91 TRP HB3 H 3.031 0.08 2 796 . 91 TRP HB2 H 3.544 0.08 2 797 . 91 TRP CD1 C 123.842 0.20 1 798 . 91 TRP HD1 H 6.657 0.08 2 799 . 91 TRP NE1 N 125.374 0.05 1 800 . 91 TRP HE1 H 9.477 0.08 1 801 . 91 TRP CZ2 C 111.182 0.20 1 802 . 91 TRP HZ2 H 6.015 0.08 1 803 . 91 TRP CH2 C 124.279 0.20 1 804 . 91 TRP HH2 H 5.403 0.08 1 805 . 91 TRP CZ3 C 120.698 0.20 1 806 . 91 TRP HZ3 H 6.759 0.08 1 807 . 91 TRP CE3 C 118.041 0.20 1 808 . 91 TRP HE3 H 6.818 0.08 1 809 . 91 TRP C C 176.418 0.05 1 810 . 92 MET N N 120.133 0.05 1 811 . 92 MET H H 8.910 0.02 1 812 . 92 MET CA C 57.971 0.20 1 813 . 92 MET HA H 3.588 0.08 1 814 . 92 MET CB C 31.021 0.20 1 815 . 92 MET HB3 H 1.916 0.08 2 816 . 92 MET HB2 H 2.048 0.08 2 817 . 92 MET HG3 H 2.447 0.08 2 818 . 92 MET HG2 H 2.574 0.08 2 819 . 92 MET CE C 17.300 0.20 1 820 . 92 MET HE H 2.321 0.20 1 821 . 92 MET C C 179.933 0.05 1 822 . 93 ASP N N 120.561 0.05 1 823 . 93 ASP H H 7.450 0.02 1 824 . 93 ASP CA C 57.265 0.20 1 825 . 93 ASP HA H 4.331 0.08 1 826 . 93 ASP CB C 40.398 0.20 1 827 . 93 ASP HB2 H 2.646 0.08 2 828 . 93 ASP C C 178.540 0.05 1 829 . 94 ALA N N 123.500 0.05 1 830 . 94 ALA H H 8.058 0.02 1 831 . 94 ALA CA C 55.055 0.20 1 832 . 94 ALA HA H 4.135 0.08 1 833 . 94 ALA CB C 17.822 0.20 1 834 . 94 ALA HB H 1.429 0.08 1 835 . 94 ALA C C 180.448 0.05 1 836 . 95 TRP N N 123.326 0.05 1 837 . 95 TRP H H 9.460 0.02 1 838 . 95 TRP CA C 59.355 0.20 1 839 . 95 TRP HA H 3.933 0.08 1 840 . 95 TRP CB C 27.330 0.20 1 841 . 95 TRP HB3 H 1.511 0.08 2 842 . 95 TRP HB2 H 2.637 0.08 2 843 . 95 TRP CD1 C 122.305 0.20 1 844 . 95 TRP HD1 H 6.500 0.08 2 845 . 95 TRP NE1 N 123.185 0.05 1 846 . 95 TRP HE1 H 9.090 0.08 1 847 . 95 TRP CZ2 C 113.496 0.20 1 848 . 95 TRP HZ2 H 7.457 0.08 1 849 . 95 TRP CH2 C 124.633 0.20 1 850 . 95 TRP HH2 H 7.172 0.08 1 851 . 95 TRP CZ3 C 121.976 0.20 1 852 . 95 TRP HZ3 H 7.118 0.08 1 853 . 95 TRP CE3 C 120.908 0.20 1 854 . 95 TRP HE3 H 7.061 0.08 1 855 . 95 TRP C C 178.008 0.05 1 856 . 96 GLY N N 104.706 0.05 1 857 . 96 GLY H H 7.797 0.02 1 858 . 96 GLY CA C 47.737 0.20 1 859 . 96 GLY HA3 H 3.195 0.08 2 860 . 96 GLY HA2 H 3.933 0.08 2 861 . 96 GLY C C 176.201 0.05 1 862 . 97 VAL N N 121.920 0.05 1 863 . 97 VAL H H 7.553 0.02 1 864 . 97 VAL CA C 66.720 0.20 1 865 . 97 VAL HA H 3.600 0.08 1 866 . 97 VAL CB C 31.347 0.20 1 867 . 97 VAL HB H 2.165 0.08 1 868 . 97 VAL CG2 C 22.829 0.20 1 869 . 97 VAL HG2 H 1.002 0.08 2 870 . 97 VAL CG1 C 21.296 0.20 1 871 . 97 VAL HG1 H 0.866 0.08 1 872 . 97 VAL C C 179.741 0.05 1 873 . 98 GLN N N 119.018 0.05 1 874 . 98 GLN H H 7.941 0.02 1 875 . 98 GLN CA C 58.180 0.20 1 876 . 98 GLN HA H 3.958 0.08 1 877 . 98 GLN CB C 29.409 0.20 1 878 . 98 GLN HB2 H 2.072 0.08 2 879 . 98 GLN CG C 34.403 0.20 1 880 . 98 GLN HG3 H 2.217 0.08 2 881 . 98 GLN HG2 H 2.468 0.08 2 882 . 98 GLN CD C 178.490 0.20 1 883 . 98 GLN NE2 N 115.112 0.05 1 884 . 98 GLN HE21 H 8.079 0.02 1 885 . 98 GLN HE22 H 6.942 0.02 1 886 . 98 GLN C C 180.176 0.05 1 887 . 99 LEU N N 120.471 0.05 1 888 . 99 LEU H H 8.908 0.02 1 889 . 99 LEU CA C 57.765 0.20 1 890 . 99 LEU HA H 3.844 0.08 1 891 . 99 LEU CB C 41.875 0.20 1 892 . 99 LEU HB2 H 1.611 0.08 2 893 . 99 LEU CG C 25.987 0.20 1 894 . 99 LEU HG H 1.114 0.08 1 895 . 99 LEU CD1 C 25.019 0.20 1 896 . 99 LEU HD1 H -0.618 0.08 1 897 . 99 LEU CD2 C 22.386 0.20 1 898 . 99 LEU HD2 H 0.665 0.08 2 899 . 99 LEU C C 179.539 0.05 1 900 . 100 GLN N N 118.376 0.05 1 901 . 100 GLN H H 8.082 0.02 1 902 . 100 GLN CA C 59.282 0.20 1 903 . 100 GLN HA H 3.932 0.08 1 904 . 100 GLN CB C 27.917 0.20 1 905 . 100 GLN HB3 H 2.132 0.08 2 906 . 100 GLN HB2 H 2.264 0.08 2 907 . 100 GLN CG C 34.242 0.20 1 908 . 100 GLN HG3 H 2.355 0.08 2 909 . 100 GLN HG2 H 2.406 0.08 2 910 . 100 GLN CD C 180.085 0.20 1 911 . 100 GLN NE2 N 110.889 0.05 1 912 . 100 GLN HE21 H 7.095 0.02 1 913 . 100 GLN HE22 H 6.691 0.02 1 914 . 100 GLN C C 179.327 0.05 1 915 . 101 THR N N 116.117 0.05 1 916 . 101 THR H H 7.770 0.02 1 917 . 101 THR CA C 66.150 0.20 1 918 . 101 THR HA H 4.090 0.08 1 919 . 101 THR CB C 68.452 0.20 1 920 . 101 THR HB H 4.404 0.08 1 921 . 101 THR CG2 C 21.899 0.20 1 922 . 101 THR HG2 H 1.323 0.08 1 923 . 101 THR C C 177.273 0.05 1 924 . 102 VAL N N 125.075 0.05 1 925 . 102 VAL H H 7.431 0.02 1 926 . 102 VAL CA C 65.943 0.20 1 927 . 102 VAL HA H 3.691 0.08 1 928 . 102 VAL CB C 31.107 0.20 1 929 . 102 VAL HB H 2.351 0.08 1 930 . 102 VAL CG2 C 22.324 0.20 1 931 . 102 VAL HG2 H 1.094 0.08 2 932 . 102 VAL CG1 C 20.840 0.20 1 933 . 102 VAL HG1 H 0.731 0.08 1 934 . 102 VAL C C 177.056 0.05 1 935 . 103 ILE N N 118.999 0.05 1 936 . 103 ILE H H 8.006 0.02 1 937 . 103 ILE CA C 63.287 0.20 1 938 . 103 ILE HA H 3.304 0.08 1 939 . 103 ILE CB C 36.299 0.20 1 940 . 103 ILE HB H 1.939 0.08 1 941 . 103 ILE CG1 C 28.722 0.20 1 942 . 103 ILE HG13 H 1.211 0.08 2 943 . 103 ILE HG12 H 1.273 0.08 2 944 . 103 ILE CD1 C 12.451 0.20 1 945 . 103 ILE HD1 H 0.514 0.08 1 946 . 103 ILE CG2 C 17.812 0.20 1 947 . 103 ILE HG2 H 0.803 0.08 1 948 . 103 ILE C C 179.398 0.05 1 949 . 104 ALA N N 124.385 0.05 1 950 . 104 ALA H H 8.238 0.02 1 951 . 104 ALA CA C 55.547 0.20 1 952 . 104 ALA HA H 4.050 0.08 1 953 . 104 ALA CB C 17.839 0.20 1 954 . 104 ALA HB H 1.464 0.08 1 955 . 104 ALA C C 180.604 0.05 1 956 . 105 ALA N N 122.289 0.05 1 957 . 105 ALA H H 7.623 0.02 1 958 . 105 ALA CA C 55.282 0.20 1 959 . 105 ALA HA H 4.131 0.08 1 960 . 105 ALA CB C 18.286 0.20 1 961 . 105 ALA HB H 1.623 0.08 1 962 . 105 ALA C C 180.132 0.05 1 963 . 106 ALA N N 121.025 0.05 1 964 . 106 ALA H H 8.531 0.02 1 965 . 106 ALA CA C 53.484 0.20 1 966 . 106 ALA HA H 4.051 0.08 1 967 . 106 ALA CB C 17.653 0.20 1 968 . 106 ALA HB H 0.959 0.08 1 969 . 106 ALA C C 178.604 0.05 1 970 . 107 THR N N 114.102 0.05 1 971 . 107 THR H H 7.911 0.02 1 972 . 107 THR CA C 65.174 0.20 1 973 . 107 THR HA H 3.955 0.08 1 974 . 107 THR CB C 68.983 0.20 1 975 . 107 THR HB H 4.270 0.08 1 976 . 107 THR CG2 C 20.974 0.20 1 977 . 107 THR HG2 H 1.213 0.08 1 978 . 107 THR C C 175.246 0.05 1 979 . 108 ARG N N 119.911 0.05 1 980 . 108 ARG H H 7.337 0.02 1 981 . 108 ARG CA C 57.737 0.20 1 982 . 108 ARG HA H 4.248 0.08 1 983 . 108 ARG CB C 31.042 0.20 1 984 . 108 ARG HB2 H 1.899 0.08 2 985 . 108 ARG CG C 27.384 0.20 1 986 . 108 ARG HG2 H 1.696 0.08 2 987 . 108 ARG CD C 43.507 0.20 1 988 . 108 ARG HD2 H 3.245 0.08 2 989 . 108 ARG C C 176.035 0.05 1 990 . 109 ASP N N 116.790 0.05 1 991 . 109 ASP H H 7.456 0.02 1 992 . 109 ASP CA C 49.890 0.20 1 993 . 109 ASP HA H 5.238 0.08 1 994 . 109 ASP CB C 42.565 0.20 1 995 . 109 ASP HB3 H 2.590 0.08 2 996 . 109 ASP HB2 H 3.048 0.08 2 997 . 109 ASP C C 174.456 0.05 1 998 . 110 PRO CA C 64.713 0.20 1 999 . 110 PRO HA H 4.276 0.08 1 1000 . 110 PRO CB C 32.950 0.20 1 1001 . 110 PRO HB3 H 1.967 0.08 2 1002 . 110 PRO HB2 H 2.437 0.08 2 1003 . 110 PRO CG C 27.413 0.20 1 1004 . 110 PRO HG2 H 2.050 0.08 2 1005 . 110 PRO CD C 51.117 0.20 1 1006 . 110 PRO HD3 H 3.866 0.08 2 1007 . 110 PRO HD2 H 4.033 0.08 2 1008 . 110 PRO C C 178.496 0.05 1 1009 . 111 ARG N N 115.229 0.05 1 1010 . 111 ARG H H 8.061 0.02 1 1011 . 111 ARG CA C 55.420 0.20 1 1012 . 111 ARG HA H 4.386 0.08 1 1013 . 111 ARG CB C 29.396 0.20 1 1014 . 111 ARG HB3 H 1.833 0.08 2 1015 . 111 ARG HB2 H 2.053 0.08 2 1016 . 111 ARG CG C 27.441 0.20 1 1017 . 111 ARG HG3 H 1.633 0.08 2 1018 . 111 ARG HG2 H 2.064 0.08 2 1019 . 111 ARG CD C 43.343 0.20 1 1020 . 111 ARG HD2 H 3.243 0.08 2 1021 . 111 ARG C C 175.845 0.05 1 1022 . 112 HIS N N 124.480 0.05 1 1023 . 112 HIS H H 7.876 0.02 1 1024 . 112 HIS CA C 56.963 0.20 1 1025 . 112 HIS HA H 4.325 0.08 1 1026 . 112 HIS CB C 32.370 0.20 1 1027 . 112 HIS HB3 H 3.081 0.08 2 1028 . 112 HIS HB2 H 3.407 0.08 2 1029 . 112 HIS CD2 C 118.049 0.20 1 1030 . 112 HIS HD2 H 7.040 0.08 2 1031 . 112 HIS CE1 C 137.863 0.20 1 1032 . 112 HIS HE1 H 7.481 0.08 1 1033 . 112 HIS C C 176.049 0.05 9 1034 . 113 PRO CA C 64.702 0.20 1 1035 . 113 PRO HA H 4.437 0.08 1 1036 . 113 PRO CB C 32.202 0.20 1 1037 . 113 PRO HB3 H 1.995 0.08 2 1038 . 113 PRO HB2 H 2.430 0.08 2 1039 . 113 PRO CG C 27.466 0.20 1 1040 . 113 PRO HG3 H 1.784 0.08 2 1041 . 113 PRO HG2 H 1.828 0.08 2 1042 . 113 PRO CD C 50.683 0.20 1 1043 . 113 PRO HD3 H 2.228 0.08 2 1044 . 113 PRO HD2 H 3.469 0.08 2 1045 . 113 PRO C C 177.464 0.05 1 1046 . 114 ALA N N 122.882 0.05 1 1047 . 114 ALA H H 11.136 0.02 1 1048 . 114 ALA CA C 53.519 0.20 1 1049 . 114 ALA HA H 4.055 0.08 1 1050 . 114 ALA CB C 18.465 0.20 1 1051 . 114 ALA HB H 1.355 0.08 1 1052 . 114 ALA C C 178.109 0.05 1 1053 . 115 ASN N N 117.240 0.05 1 1054 . 115 ASN H H 8.414 0.02 1 1055 . 115 ASN CA C 52.635 0.20 1 1056 . 115 ASN HA H 4.846 0.08 1 1057 . 115 ASN CB C 39.868 0.20 1 1058 . 115 ASN HB3 H 2.988 0.08 2 1059 . 115 ASN HB2 H 3.076 0.08 2 1060 . 115 ASN CG C 175.110 0.20 1 1061 . 115 ASN ND2 N 113.405 0.05 1 1062 . 115 ASN HD21 H 7.906 0.02 1 1063 . 115 ASN HD22 H 6.618 0.02 1 1064 . 115 ASN C C 176.616 0.05 1 1065 . 116 GLY N N 107.229 0.05 1 1066 . 116 GLY H H 8.623 0.02 1 1067 . 116 GLY CA C 44.647 0.20 1 1068 . 116 GLY HA3 H 3.871 0.08 2 1069 . 116 GLY HA2 H 4.372 0.08 2 1070 . 116 GLY C C 174.010 0.05 1 1071 . 117 GLN N N 118.972 0.05 1 1072 . 117 GLN H H 8.592 0.02 1 1073 . 117 GLN CA C 56.669 0.20 1 1074 . 117 GLN HA H 4.269 0.08 1 1075 . 117 GLN CB C 29.582 0.20 1 1076 . 117 GLN HB2 H 2.148 0.08 2 1077 . 117 GLN CG C 34.093 0.20 1 1078 . 117 GLN HG2 H 2.372 0.08 2 1079 . 117 GLN CD C 180.667 0.20 1 1080 . 117 GLN NE2 N 112.959 0.05 1 1081 . 117 GLN HE21 H 7.517 0.02 1 1082 . 117 GLN HE22 H 6.833 0.02 1 1083 . 117 GLN C C 177.377 0.05 1 1084 . 118 GLY N N 109.243 0.05 1 1085 . 118 GLY H H 8.541 0.02 1 1086 . 118 GLY CA C 44.690 0.20 1 1087 . 118 GLY HA3 H 3.831 0.08 2 1088 . 118 GLY HA2 H 4.075 0.08 2 1089 . 118 GLY C C 174.877 0.05 1 1090 . 119 ARG N N 121.799 0.05 1 1091 . 119 ARG H H 8.554 0.02 1 1092 . 119 ARG CA C 57.702 0.20 1 1093 . 119 ARG HA H 4.150 0.08 1 1094 . 119 ARG CB C 30.120 0.20 1 1095 . 119 ARG HB2 H 1.832 0.08 2 1096 . 119 ARG CG C 27.372 0.20 1 1097 . 119 ARG HG2 H 1.636 0.08 2 1098 . 119 ARG CD C 43.403 0.20 1 1099 . 119 ARG HD2 H 3.219 0.08 2 1100 . 119 ARG C C 177.975 0.05 1 1101 . 120 GLY N N 110.067 0.05 1 1102 . 120 GLY H H 8.728 0.02 1 1103 . 120 GLY CA C 45.707 0.20 1 1104 . 120 GLY HA3 H 3.955 0.08 2 1105 . 120 GLY HA2 H 4.020 0.08 2 1106 . 120 GLY C C 175.308 0.05 1 1107 . 121 GLU N N 120.221 0.05 1 1108 . 121 GLU H H 7.608 0.02 1 1109 . 121 GLU CA C 55.620 0.20 1 1110 . 121 GLU HA H 4.433 0.08 1 1111 . 121 GLU CB C 29.245 0.20 1 1112 . 121 GLU HB3 H 1.760 0.08 2 1113 . 121 GLU HB2 H 2.085 0.08 2 1114 . 121 GLU CG C 36.460 0.20 1 1115 . 121 GLU HG3 H 2.065 0.08 2 1116 . 121 GLU HG2 H 2.121 0.08 2 1117 . 121 GLU C C 176.907 0.05 1 1118 . 122 ARG N N 121.581 0.05 1 1119 . 122 ARG H H 7.796 0.02 1 1120 . 122 ARG CA C 55.166 0.20 1 1121 . 122 ARG HA H 4.445 0.08 1 1122 . 122 ARG CB C 31.526 0.20 1 1123 . 122 ARG HB2 H 1.818 0.08 2 1124 . 122 ARG CG C 27.286 0.20 1 1125 . 122 ARG HG2 H 1.710 0.08 2 1126 . 122 ARG CD C 43.435 0.20 1 1127 . 122 ARG HD2 H 3.223 0.08 2 1128 . 122 ARG HD3 H 3.151 0.08 2 1129 . 122 ARG C C 178.608 0.05 1 1130 . 123 THR N N 117.463 0.05 1 1131 . 123 THR H H 8.101 0.02 1 1132 . 123 THR CA C 63.001 0.20 1 1133 . 123 THR HA H 4.215 0.08 1 1134 . 123 THR CB C 66.458 0.20 1 1135 . 123 THR HB H 4.046 0.08 1 1136 . 123 THR CG2 C 19.409 0.20 1 1137 . 123 THR HG2 H 0.712 0.08 1 1138 . 123 THR C C 172.874 0.05 1 1139 . 124 ASN N N 114.164 0.05 1 1140 . 124 ASN H H 8.100 0.02 1 1141 . 124 ASN CA C 53.054 0.20 1 1142 . 124 ASN HA H 4.463 0.08 1 1143 . 124 ASN CB C 40.118 0.20 1 1144 . 124 ASN HB3 H 2.872 0.08 2 1145 . 124 ASN HB2 H 2.941 0.08 2 1146 . 124 ASN CG C 175.850 0.20 1 1147 . 124 ASN ND2 N 114.675 0.05 1 1148 . 124 ASN HD21 H 7.526 0.02 1 1149 . 124 ASN HD22 H 6.979 0.02 1 1150 . 124 ASN C C 174.388 0.05 1 1151 . 125 LEU N N 120.072 0.05 1 1152 . 125 LEU H H 8.768 0.02 1 1153 . 125 LEU CA C 58.226 0.20 1 1154 . 125 LEU HA H 3.717 0.08 1 1155 . 125 LEU CB C 42.449 0.20 1 1156 . 125 LEU HB3 H 1.337 0.08 2 1157 . 125 LEU HB2 H 1.662 0.08 2 1158 . 125 LEU CG C 26.683 0.20 1 1159 . 125 LEU HG H 1.480 0.08 1 1160 . 125 LEU CD1 C 24.651 0.20 1 1161 . 125 LEU HD1 H 0.700 0.08 1 1162 . 125 LEU CD2 C 25.442 0.20 1 1163 . 125 LEU HD2 H 0.744 0.08 2 1164 . 125 LEU C C 177.184 0.05 1 1165 . 126 ASP N N 116.731 0.05 1 1166 . 126 ASP H H 7.835 0.02 1 1167 . 126 ASP CA C 57.612 0.20 1 1168 . 126 ASP HA H 4.199 0.08 1 1169 . 126 ASP CB C 39.450 0.20 1 1170 . 126 ASP HB3 H 2.068 0.08 2 1171 . 126 ASP HB2 H 2.635 0.08 2 1172 . 126 ASP C C 179.378 0.05 1 1173 . 127 ARG N N 119.931 0.05 1 1174 . 127 ARG H H 8.186 0.02 1 1175 . 127 ARG CA C 60.587 0.20 1 1176 . 127 ARG HA H 3.760 0.08 1 1177 . 127 ARG CB C 30.543 0.20 1 1178 . 127 ARG HB2 H 1.938 0.08 2 1179 . 127 ARG CG C 28.539 0.20 1 1180 . 127 ARG HG2 H 1.897 0.08 2 1181 . 127 ARG CD C 43.714 0.20 1 1182 . 127 ARG HD2 H 3.257 0.08 2 1183 . 127 ARG C C 178.112 0.05 1 1184 . 128 LEU N N 114.088 0.05 1 1185 . 128 LEU H H 7.361 0.02 1 1186 . 128 LEU CA C 57.036 0.20 1 1187 . 128 LEU HA H 3.979 0.08 1 1188 . 128 LEU CG C 26.398 0.20 1 1189 . 128 LEU HG H 2.127 0.08 1 1190 . 128 LEU CD1 C 27.206 0.20 1 1191 . 128 LEU HD1 H 0.664 0.08 1 1192 . 128 LEU CD2 C 22.018 0.20 1 1193 . 128 LEU HD2 H 0.863 0.08 2 1194 . 128 LEU C C 175.472 0.05 1 1195 . 129 LYS N N 108.383 0.05 1 1196 . 129 LYS H H 7.272 0.02 1 1197 . 129 LYS CA C 56.282 0.20 1 1198 . 129 LYS HA H 4.240 0.08 1 1199 . 129 LYS CD C 29.948 0.20 1 1200 . 129 LYS HD2 H 1.350 0.08 2 1201 . 129 LYS CE C 41.402 0.20 1 1202 . 129 LYS HE2 H 2.594 0.08 2 1203 . 129 LYS C C 178.207 0.05 1 1204 . 130 GLY N N 108.934 0.05 1 1205 . 130 GLY H H 8.174 0.02 1 1206 . 130 GLY CA C 46.701 0.20 1 1207 . 130 GLY HA3 H 3.767 0.08 2 1208 . 130 GLY HA2 H 3.889 0.08 2 1209 . 130 GLY C C 173.963 0.05 1 1210 . 131 LEU N N 116.098 0.05 1 1211 . 131 LEU H H 8.695 0.02 1 1212 . 131 LEU CA C 53.630 0.20 1 1213 . 131 LEU HA H 4.532 0.08 1 1214 . 131 LEU CB C 43.650 0.20 1 1215 . 131 LEU HB3 H 1.498 0.08 2 1216 . 131 LEU HB2 H 1.653 0.08 2 1217 . 131 LEU CG C 26.437 0.20 1 1218 . 131 LEU HG H 1.450 0.08 1 1219 . 131 LEU CD1 C 25.864 0.20 1 1220 . 131 LEU HD1 H 0.866 0.08 1 1221 . 131 LEU CD2 C 22.701 0.20 1 1222 . 131 LEU HD2 H 0.865 0.08 2 1223 . 131 LEU C C 176.801 0.05 1 1224 . 132 ALA N N 121.221 0.05 1 1225 . 132 ALA H H 6.499 0.02 1 1226 . 132 ALA CA C 51.307 0.20 1 1227 . 132 ALA HA H 4.237 0.08 1 1228 . 132 ALA CB C 19.677 0.20 1 1229 . 132 ALA HB H 1.315 0.08 1 1230 . 132 ALA C C 175.768 0.05 1 1231 . 133 ASP N N 119.663 0.05 1 1232 . 133 ASP H H 8.396 0.02 1 1233 . 133 ASP CA C 56.742 0.20 1 1234 . 133 ASP HA H 4.253 0.08 1 1235 . 133 ASP CB C 40.771 0.20 1 1236 . 133 ASP HB2 H 2.584 0.08 2 1237 . 133 ASP C C 177.091 0.05 1 1238 . 134 GLY N N 112.507 0.05 1 1239 . 134 GLY H H 8.748 0.02 1 1240 . 134 GLY CA C 44.917 0.20 1 1241 . 134 GLY HA3 H 3.621 0.08 2 1242 . 134 GLY HA2 H 4.177 0.08 2 1243 . 134 GLY C C 174.754 0.05 1 1244 . 135 MET N N 113.895 0.05 1 1245 . 135 MET H H 8.311 0.02 1 1246 . 135 MET CA C 57.107 0.20 1 1247 . 135 MET HA H 4.403 0.08 1 1248 . 135 MET CE C 19.452 0.20 1 1249 . 135 MET HE H 2.004 0.20 1 1250 . 135 MET C C 177.610 0.05 1 1251 . 136 VAL N N 121.143 0.05 1 1252 . 136 VAL H H 7.721 0.02 1 1253 . 136 VAL CA C 64.886 0.20 1 1254 . 136 VAL HA H 3.901 0.08 1 1255 . 136 VAL CB C 30.963 0.20 1 1256 . 136 VAL HB H 2.061 0.08 1 1257 . 136 VAL CG2 C 22.467 0.20 1 1258 . 136 VAL HG2 H 1.011 0.08 2 1259 . 136 VAL CG1 C 20.762 0.20 1 1260 . 136 VAL HG1 H 0.896 0.08 1 1261 . 136 VAL C C 178.680 0.05 1 1262 . 137 GLY N N 118.029 0.05 1 1263 . 137 GLY H H 9.601 0.02 1 1264 . 137 GLY CA C 46.539 0.20 1 1265 . 137 GLY HA3 H 3.849 0.08 2 1266 . 137 GLY HA2 H 3.994 0.08 2 1267 . 137 GLY C C 174.613 0.05 1 1268 . 138 ASN N N 113.276 0.05 1 1269 . 138 ASN H H 7.446 0.02 1 1270 . 138 ASN CA C 49.660 0.20 1 1271 . 138 ASN HA H 5.092 0.08 1 1272 . 138 ASN CB C 38.818 0.20 1 1273 . 138 ASN HB3 H 2.275 0.08 2 1274 . 138 ASN HB2 H 2.838 0.08 2 1275 . 138 ASN C C 172.465 0.05 1 1276 . 139 PRO CA C 64.637 0.20 1 1277 . 139 PRO HA H 3.483 0.08 1 1278 . 139 PRO CB C 30.671 0.20 1 1279 . 139 PRO HB3 H 0.572 0.08 2 1280 . 139 PRO HB2 H 0.960 0.08 2 1281 . 139 PRO CG C 26.862 0.20 1 1282 . 139 PRO HG3 H 0.630 0.08 2 1283 . 139 PRO HG2 H 1.256 0.08 2 1284 . 139 PRO CD C 49.778 0.20 1 1285 . 139 PRO HD3 H 2.393 0.08 2 1286 . 139 PRO HD2 H 3.662 0.08 2 1287 . 139 PRO C C 177.439 0.05 1 1288 . 140 GLN N N 115.913 0.05 1 1289 . 140 GLN H H 7.886 0.02 1 1290 . 140 GLN CA C 60.015 0.20 1 1291 . 140 GLN HA H 3.803 0.08 1 1292 . 140 GLN CB C 27.306 0.20 1 1293 . 140 GLN HB2 H 2.004 0.08 2 1294 . 140 GLN CG C 34.452 0.20 1 1295 . 140 GLN HG3 H 2.441 0.08 2 1296 . 140 GLN HG2 H 2.532 0.08 2 1297 . 140 GLN CD C 180.418 0.20 1 1298 . 140 GLN NE2 N 111.506 0.05 1 1299 . 140 GLN HE21 H 7.620 0.02 1 1300 . 140 GLN HE22 H 6.948 0.02 1 1301 . 140 GLN C C 179.379 0.05 1 1302 . 141 GLY N N 108.828 0.05 1 1303 . 141 GLY H H 7.433 0.02 1 1304 . 141 GLY CA C 46.971 0.20 1 1305 . 141 GLY HA3 H 3.808 0.08 2 1306 . 141 GLY HA2 H 3.896 0.08 2 1307 . 141 GLY C C 175.996 0.05 1 1308 . 142 GLN N N 120.162 0.05 1 1309 . 142 GLN H H 8.023 0.02 1 1310 . 142 GLN CA C 60.323 0.20 1 1311 . 142 GLN HA H 3.751 0.08 1 1312 . 142 GLN CB C 28.919 0.20 1 1313 . 142 GLN HB2 H 2.167 0.08 2 1314 . 142 GLN CG C 34.399 0.20 1 1315 . 142 GLN HG2 H 2.291 0.08 2 1316 . 142 GLN C C 177.253 0.05 1 1317 . 143 ALA N N 118.905 0.05 1 1318 . 143 ALA H H 8.228 0.02 1 1319 . 143 ALA CA C 54.310 0.20 1 1320 . 143 ALA HA H 3.929 0.08 1 1321 . 143 ALA CB C 18.438 0.20 1 1322 . 143 ALA HB H 1.334 0.08 1 1323 . 143 ALA C C 179.351 0.05 1 1324 . 144 ALA N N 117.010 0.05 1 1325 . 144 ALA H H 7.535 0.02 1 1326 . 144 ALA CA C 53.881 0.20 1 1327 . 144 ALA HA H 4.234 0.08 1 1328 . 144 ALA CB C 19.430 0.20 1 1329 . 144 ALA HB H 1.517 0.08 1 1330 . 144 ALA C C 179.728 0.05 1 1331 . 145 LEU N N 115.960 0.05 1 1332 . 145 LEU H H 7.791 0.02 1 1333 . 145 LEU CA C 56.248 0.20 1 1334 . 145 LEU HA H 4.407 0.08 1 1335 . 145 LEU CB C 39.519 0.20 1 1336 . 145 LEU HB3 H 1.502 0.08 2 1337 . 145 LEU HB2 H 1.988 0.08 2 1338 . 145 LEU CG C 27.952 0.20 1 1339 . 145 LEU HG H 1.862 0.08 1 1340 . 145 LEU CD1 C 25.429 0.20 1 1341 . 145 LEU HD1 H 0.770 0.08 1 1342 . 145 LEU CD2 C 22.670 0.20 1 1343 . 145 LEU HD2 H 0.865 0.08 2 1344 . 145 LEU C C 177.403 0.05 1 1345 . 146 LEU N N 120.267 0.05 1 1346 . 146 LEU H H 8.110 0.02 1 1347 . 146 LEU CA C 55.425 0.20 1 1348 . 146 LEU HA H 4.298 0.08 1 1349 . 146 LEU CD1 C 22.466 0.20 1 1350 . 146 LEU HD1 H 0.865 0.08 1 1351 . 146 LEU CD2 C 24.049 0.20 1 1352 . 146 LEU HD2 H 0.861 0.08 2 1353 . 146 LEU C C 177.373 0.05 1 1354 . 147 ARG N N 122.870 0.05 1 1355 . 147 ARG H H 9.729 0.02 1 1356 . 147 ARG CA C 54.351 0.20 1 1357 . 147 ARG HA H 4.631 0.08 1 1358 . 147 ARG C C 175.949 0.05 9 1359 . 148 PRO CA C 66.757 0.20 1 1360 . 148 PRO HA H 4.242 0.08 1 1361 . 148 PRO CB C 31.900 0.20 1 1362 . 148 PRO HB3 H 2.053 0.08 2 1363 . 148 PRO HB2 H 2.529 0.08 2 1364 . 148 PRO CG C 28.066 0.20 1 1365 . 148 PRO HG2 H 2.225 0.08 2 1366 . 148 PRO CD C 50.630 0.20 1 1367 . 148 PRO HD2 H 3.791 0.08 2 1368 . 148 PRO C C 179.445 0.05 1 1369 . 149 GLY N N 102.067 0.05 1 1370 . 149 GLY H H 8.993 0.02 1 1371 . 149 GLY CA C 46.688 0.20 1 1372 . 149 GLY HA2 H 3.809 0.08 2 1373 . 149 GLY C C 178.611 0.05 1 1374 . 150 GLU N N 119.787 0.05 1 1375 . 150 GLU H H 7.557 0.02 1 1376 . 150 GLU CA C 60.402 0.20 1 1377 . 150 GLU HA H 4.035 0.08 1 1378 . 150 GLU CB C 29.339 0.20 1 1379 . 150 GLU HB3 H 1.599 0.08 2 1380 . 150 GLU HB2 H 1.993 0.08 2 1381 . 150 GLU CG C 31.207 0.20 1 1382 . 150 GLU HG3 H 1.982 0.08 2 1383 . 150 GLU HG2 H 2.292 0.08 2 1384 . 150 GLU C C 177.755 0.05 1 1385 . 151 LEU N N 117.923 0.05 1 1386 . 151 LEU H H 7.871 0.02 1 1387 . 151 LEU CA C 58.746 0.20 1 1388 . 151 LEU HA H 4.256 0.08 1 1389 . 151 LEU CD1 C 25.875 0.20 1 1390 . 151 LEU HD1 H 0.881 0.08 1 1391 . 151 LEU CD2 C 24.941 0.20 1 1392 . 151 LEU HD2 H 0.919 0.08 2 1393 . 151 LEU C C 180.970 0.05 1 1394 . 152 VAL N N 120.090 0.05 1 1395 . 152 VAL H H 8.272 0.02 1 1396 . 152 VAL CA C 67.167 0.20 1 1397 . 152 VAL HA H 3.667 0.08 1 1398 . 152 VAL CB C 32.185 0.20 1 1399 . 152 VAL HB H 2.093 0.08 1 1400 . 152 VAL CG2 C 23.022 0.20 1 1401 . 152 VAL HG2 H 1.131 0.08 2 1402 . 152 VAL CG1 C 21.082 0.20 1 1403 . 152 VAL HG1 H 1.026 0.08 1 1404 . 152 VAL C C 178.272 0.05 1 1405 . 153 ALA N N 122.281 0.05 1 1406 . 153 ALA H H 7.281 0.02 1 1407 . 153 ALA CA C 55.173 0.20 1 1408 . 153 ALA HA H 4.513 0.08 1 1409 . 153 ALA CB C 18.987 0.20 1 1410 . 153 ALA HB H 1.698 0.08 1 1411 . 153 ALA C C 181.869 0.05 1 1412 . 154 ILE N N 123.009 0.05 1 1413 . 154 ILE H H 9.341 0.02 1 1414 . 154 ILE CA C 66.831 0.20 1 1415 . 154 ILE HA H 3.776 0.08 1 1416 . 154 ILE CB C 39.880 0.20 1 1417 . 154 ILE HB H 2.339 0.08 1 1418 . 154 ILE CG1 C 28.400 0.20 1 1419 . 154 ILE HG13 H 1.986 0.08 2 1420 . 154 ILE HG12 H 2.419 0.08 2 1421 . 154 ILE CD1 C 16.622 0.20 1 1422 . 154 ILE HD1 H 1.095 0.08 1 1423 . 154 ILE CG2 C 18.039 0.20 1 1424 . 154 ILE HG2 H 1.294 0.08 1 1425 . 154 ILE C C 178.350 0.05 1 1426 . 155 THR N N 117.096 0.05 1 1427 . 155 THR H H 8.196 0.02 1 1428 . 155 THR CA C 65.447 0.20 1 1429 . 155 THR HA H 3.882 0.08 1 1430 . 155 THR CB C 68.956 0.20 1 1431 . 155 THR HB H 4.401 0.08 1 1432 . 155 THR CG2 C 21.846 0.20 1 1433 . 155 THR HG2 H 1.445 0.08 1 1434 . 155 THR C C 176.444 0.05 1 1435 . 156 ALA N N 126.170 0.05 1 1436 . 156 ALA H H 8.368 0.02 1 1437 . 156 ALA CA C 55.734 0.20 1 1438 . 156 ALA HA H 4.328 0.08 1 1439 . 156 ALA CB C 18.081 0.20 1 1440 . 156 ALA HB H 1.602 0.08 1 1441 . 156 ALA C C 182.191 0.05 1 1442 . 157 SER N N 113.776 0.05 1 1443 . 157 SER H H 8.369 0.02 1 1444 . 157 SER C C 175.844 0.05 1 1445 . 158 ALA N N 124.597 0.05 1 1446 . 158 ALA H H 8.754 0.02 1 1447 . 158 ALA CA C 55.942 0.20 1 1448 . 158 ALA HA H 4.243 0.08 1 1449 . 158 ALA CB C 20.559 0.20 1 1450 . 158 ALA HB H 1.666 0.08 1 1451 . 158 ALA C C 180.015 0.05 1 1452 . 159 LEU N N 122.001 0.05 1 1453 . 159 LEU H H 8.471 0.02 1 1454 . 159 LEU CA C 57.885 0.20 1 1455 . 159 LEU HA H 4.256 0.08 1 1456 . 159 LEU CB C 41.799 0.20 1 1457 . 159 LEU HB3 H 1.801 0.08 2 1458 . 159 LEU HB2 H 2.127 0.08 2 1459 . 159 LEU CG C 27.796 0.20 1 1460 . 159 LEU HG H 1.649 0.08 1 1461 . 159 LEU CD1 C 23.460 0.20 1 1462 . 159 LEU HD1 H 0.972 0.08 1 1463 . 159 LEU CD2 C 26.461 0.20 1 1464 . 159 LEU HD2 H 0.994 0.08 2 1465 . 159 LEU C C 178.706 0.05 1 1466 . 160 GLN N N 119.499 0.05 1 1467 . 160 GLN H H 8.444 0.02 1 1468 . 160 GLN CA C 59.031 0.20 1 1469 . 160 GLN HA H 4.151 0.08 1 1470 . 160 GLN CB C 28.072 0.20 1 1471 . 160 GLN HB3 H 1.961 0.08 2 1472 . 160 GLN HB2 H 2.355 0.08 2 1473 . 160 GLN CG C 32.924 0.20 1 1474 . 160 GLN HG3 H 2.397 0.08 2 1475 . 160 GLN HG2 H 2.554 0.08 2 1476 . 160 GLN CD C 179.777 0.20 1 1477 . 160 GLN NE2 N 113.148 0.05 1 1478 . 160 GLN HE21 H 7.842 0.02 1 1479 . 160 GLN HE22 H 6.915 0.02 1 1480 . 160 GLN C C 178.836 0.05 1 1481 . 161 ALA CA C 54.924 0.20 1 1482 . 161 ALA HA H 4.186 0.08 1 1483 . 161 ALA CB C 19.067 0.20 1 1484 . 161 ALA HB H 1.581 0.08 1 1485 . 161 ALA C C 179.111 0.05 1 1486 . 162 PHE N N 118.998 0.05 1 1487 . 162 PHE H H 8.318 0.02 1 1488 . 162 PHE CA C 63.055 0.20 1 1489 . 162 PHE HA H 4.192 0.08 1 1490 . 162 PHE CB C 38.846 0.20 1 1491 . 162 PHE HB3 H 3.162 0.08 2 1492 . 162 PHE HB2 H 3.575 0.08 2 1493 . 162 PHE CD1 C 131.550 0.20 1 1494 . 162 PHE HD1 H 7.025 0.08 3 1495 . 162 PHE CE1 C 131.022 0.20 1 1496 . 162 PHE HE1 H 7.185 0.08 3 1497 . 162 PHE CZ C 129.684 0.20 1 1498 . 162 PHE HZ H 7.016 0.08 1 1499 . 162 PHE C C 176.150 0.05 1 1500 . 163 ARG N N 118.364 0.05 1 1501 . 163 ARG H H 8.450 0.02 1 1502 . 163 ARG CA C 60.490 0.20 1 1503 . 163 ARG HA H 3.722 0.08 1 1504 . 163 ARG CB C 28.987 0.20 1 1505 . 163 ARG HB3 H 1.769 0.08 2 1506 . 163 ARG HB2 H 2.104 0.08 2 1507 . 163 ARG CD C 43.749 0.20 1 1508 . 163 ARG HD2 H 3.242 0.08 2 1509 . 163 ARG C C 179.336 0.05 1 1510 . 164 GLU N N 117.674 0.05 1 1511 . 164 GLU H H 7.837 0.02 1 1512 . 164 GLU CA C 59.338 0.20 1 1513 . 164 GLU HA H 4.024 0.08 1 1514 . 164 GLU CB C 29.303 0.20 1 1515 . 164 GLU HB3 H 2.104 0.08 2 1516 . 164 GLU HB2 H 2.235 0.08 2 1517 . 164 GLU CG C 35.929 0.20 1 1518 . 164 GLU HG3 H 2.297 0.08 2 1519 . 164 GLU HG2 H 2.438 0.08 2 1520 . 164 GLU C C 179.032 0.05 1 1521 . 165 VAL N N 118.655 0.05 1 1522 . 165 VAL H H 7.869 0.02 1 1523 . 165 VAL CA C 65.968 0.20 1 1524 . 165 VAL HA H 3.704 0.08 1 1525 . 165 VAL CB C 31.576 0.20 1 1526 . 165 VAL HB H 2.096 0.08 1 1527 . 165 VAL CG2 C 21.594 0.20 1 1528 . 165 VAL HG2 H 1.100 0.08 2 1529 . 165 VAL CG1 C 23.014 0.20 1 1530 . 165 VAL HG1 H 0.980 0.08 1 1531 . 165 VAL C C 177.965 0.05 1 1532 . 166 ALA N N 122.225 0.05 1 1533 . 166 ALA H H 8.347 0.02 1 1534 . 166 ALA CA C 54.797 0.20 1 1535 . 166 ALA HA H 3.683 0.08 1 1536 . 166 ALA CB C 17.805 0.20 1 1537 . 166 ALA HB H 0.925 0.08 1 1538 . 166 ALA C C 178.583 0.05 1 1539 . 167 ARG N N 113.420 0.05 1 1540 . 167 ARG H H 7.177 0.02 1 1541 . 167 ARG CA C 57.697 0.20 1 1542 . 167 ARG HA H 4.033 0.08 1 1543 . 167 ARG CB C 30.389 0.20 1 1544 . 167 ARG HB2 H 1.882 0.08 2 1545 . 167 ARG CG C 27.330 0.20 1 1546 . 167 ARG HG2 H 1.620 0.08 2 1547 . 167 ARG CD C 43.714 0.20 1 1548 . 167 ARG HD2 H 3.199 0.08 2 1549 . 167 ARG C C 177.539 0.05 1 1550 . 168 LEU N N 118.854 0.05 1 1551 . 168 LEU H H 7.439 0.02 1 1552 . 168 LEU CA C 55.555 0.20 1 1553 . 168 LEU HA H 4.236 0.08 1 1554 . 168 LEU CB C 43.065 0.20 1 1555 . 168 LEU HB3 H 1.549 0.08 2 1556 . 168 LEU HB2 H 1.758 0.08 2 1557 . 168 LEU CG C 26.888 0.20 1 1558 . 168 LEU HG H 1.776 0.08 1 1559 . 168 LEU CD1 C 25.741 0.20 1 1560 . 168 LEU HD1 H 0.923 0.08 1 1561 . 168 LEU CD2 C 23.024 0.20 1 1562 . 168 LEU HD2 H 0.863 0.08 2 1563 . 168 LEU C C 177.723 0.05 1 1564 . 169 ALA N N 122.317 0.05 1 1565 . 169 ALA H H 7.928 0.02 1 1566 . 169 ALA CA C 52.699 0.20 1 1567 . 169 ALA HA H 4.226 0.08 1 1568 . 169 ALA CB C 19.412 0.20 1 1569 . 169 ALA HB H 1.395 0.08 1 1570 . 169 ALA C C 177.389 0.05 1 1571 . 170 GLU N N 120.393 0.05 1 1572 . 170 GLU H H 8.074 0.02 1 1573 . 170 GLU CA C 54.237 0.20 1 1574 . 170 GLU HA H 4.567 0.08 1 1575 . 170 GLU CB C 29.776 0.20 1 1576 . 170 GLU HB3 H 1.924 0.08 2 1577 . 170 GLU HB2 H 2.037 0.08 2 1578 . 170 GLU CG C 36.036 0.20 1 1579 . 170 GLU HG2 H 2.276 0.08 2 1580 . 170 GLU C C 174.556 0.05 1 1581 . 171 PRO CA C 63.200 0.20 1 1582 . 171 PRO HA H 4.403 0.08 1 1583 . 171 PRO CB C 32.264 0.20 1 1584 . 171 PRO HB3 H 1.921 0.08 2 1585 . 171 PRO HB2 H 2.277 0.08 2 1586 . 171 PRO CG C 27.396 0.20 1 1587 . 171 PRO HG2 H 2.008 0.08 2 1588 . 171 PRO CD C 50.692 0.20 1 1589 . 171 PRO HD2 H 3.783 0.08 2 1590 . 171 PRO C C 176.620 0.05 1 1591 . 172 ALA N N 124.358 0.05 1 1592 . 172 ALA H H 8.364 0.02 1 1593 . 172 ALA CA C 52.159 0.20 1 1594 . 172 ALA HA H 4.274 0.08 1 1595 . 172 ALA CB C 20.021 0.20 1 1596 . 172 ALA HB H 1.292 0.08 1 1597 . 172 ALA C C 177.115 0.05 1 1598 . 173 GLY N N 106.145 0.05 1 1599 . 173 GLY H H 7.261 0.02 1 1600 . 173 GLY CA C 44.591 0.20 1 1601 . 173 GLY HA3 H 2.964 0.08 2 1602 . 173 GLY HA2 H 3.843 0.08 2 1603 . 173 GLY C C 176.547 0.05 1 1604 . 174 PRO CA C 64.373 0.20 1 1605 . 174 PRO HA H 4.295 0.08 1 1606 . 174 PRO CB C 32.016 0.20 1 1607 . 174 PRO HB3 H 1.988 0.08 2 1608 . 174 PRO HB2 H 2.349 0.08 2 1609 . 174 PRO CG C 27.817 0.20 1 1610 . 174 PRO HG2 H 2.041 0.08 2 1611 . 174 PRO CD C 49.909 0.20 1 1612 . 174 PRO HD2 H 3.491 0.08 2 1613 . 174 PRO C C 177.614 0.05 1 1614 . 175 TRP N N 115.248 0.05 1 1615 . 175 TRP H H 6.712 0.02 1 1616 . 175 TRP CA C 58.077 0.20 1 1617 . 175 TRP HA H 4.345 0.08 1 1618 . 175 TRP CB C 28.319 0.20 1 1619 . 175 TRP HB3 H 2.907 0.08 2 1620 . 175 TRP HB2 H 3.366 0.08 2 1621 . 175 TRP CD1 C 127.147 0.20 1 1622 . 175 TRP HD1 H 7.083 0.08 2 1623 . 175 TRP NE1 N 132.193 0.05 1 1624 . 175 TRP HE1 H 10.575 0.08 1 1625 . 175 TRP CZ2 C 115.262 0.20 1 1626 . 175 TRP HZ2 H 7.535 0.08 1 1627 . 175 TRP CH2 C 125.356 0.20 1 1628 . 175 TRP HH2 H 7.351 0.08 1 1629 . 175 TRP CZ3 C 122.913 0.20 1 1630 . 175 TRP HZ3 H 7.301 0.08 1 1631 . 175 TRP CE3 C 118.923 0.20 1 1632 . 175 TRP HE3 H 7.276 0.08 1 1633 . 175 TRP C C 176.962 0.05 1 1634 . 176 ALA N N 123.964 0.05 1 1635 . 176 ALA H H 7.003 0.02 1 1636 . 176 ALA CA C 54.719 0.20 1 1637 . 176 ALA HA H 3.890 0.08 1 1638 . 176 ALA CB C 18.626 0.20 1 1639 . 176 ALA HB H 1.044 0.08 1 1640 . 176 ALA C C 177.463 0.05 1 1641 . 177 ASP N N 114.498 0.05 1 1642 . 177 ASP H H 7.616 0.02 1 1643 . 177 ASP CA C 53.516 0.20 1 1644 . 177 ASP HA H 4.787 0.08 1 1645 . 177 ASP CB C 41.522 0.20 1 1646 . 177 ASP HB3 H 2.502 0.08 2 1647 . 177 ASP HB2 H 2.791 0.08 2 1648 . 177 ASP C C 176.419 0.05 1 1649 . 178 ILE N N 121.640 0.05 1 1650 . 178 ILE H H 7.247 0.02 1 1651 . 178 ILE CA C 62.131 0.20 1 1652 . 178 ILE HA H 4.117 0.08 1 1653 . 178 ILE CB C 37.460 0.20 1 1654 . 178 ILE HB H 2.096 0.08 1 1655 . 178 ILE HG13 H 1.167 0.08 2 1656 . 178 ILE HG12 H 1.658 0.08 2 1657 . 178 ILE CD1 C 14.325 0.20 1 1658 . 178 ILE HD1 H 0.876 0.08 1 1659 . 178 ILE CG2 C 16.854 0.20 1 1660 . 178 ILE HG2 H 0.952 0.08 1 1661 . 178 ILE C C 174.652 0.05 1 1662 . 179 THR N N 119.060 0.05 1 1663 . 179 THR H H 8.323 0.02 1 1664 . 179 THR CA C 59.940 0.20 1 1665 . 179 THR HA H 4.800 0.08 1 1666 . 179 THR CB C 71.672 0.20 1 1667 . 179 THR HB H 4.064 0.08 1 1668 . 179 THR CG2 C 21.676 0.20 1 1669 . 179 THR HG2 H 1.194 0.08 1 1670 . 179 THR C C 173.559 0.05 1 1671 . 180 GLN N N 126.197 0.05 1 1672 . 180 GLN H H 7.454 0.02 1 1673 . 180 GLN CA C 55.922 0.20 1 1674 . 180 GLN HA H 3.967 0.08 1 1675 . 180 GLN CB C 27.362 0.20 1 1676 . 180 GLN HB3 H 0.180 0.08 2 1677 . 180 GLN HB2 H 1.646 0.08 2 1678 . 180 GLN CG C 32.440 0.20 1 1679 . 180 GLN HG3 H 2.057 0.08 2 1680 . 180 GLN HG2 H 2.986 0.08 2 1681 . 180 GLN CD C 178.566 0.20 1 1682 . 180 GLN NE2 N 105.343 0.05 1 1683 . 180 GLN HE21 H 7.473 0.02 1 1684 . 180 GLN HE22 H 6.118 0.02 1 1685 . 180 GLN C C 177.248 0.05 1 1686 . 181 GLY N N 119.743 0.05 1 1687 . 181 GLY H H 9.827 0.02 1 1688 . 181 GLY CA C 45.135 0.20 1 1689 . 181 GLY HA3 H 3.895 0.08 2 1690 . 181 GLY HA2 H 4.367 0.08 2 1691 . 181 GLY C C 173.361 0.05 9 1692 . 182 PRO CA C 65.026 0.20 1 1693 . 182 PRO HA H 4.200 0.08 1 1694 . 182 PRO CB C 31.892 0.20 1 1695 . 182 PRO HB3 H 2.031 0.08 2 1696 . 182 PRO HB2 H 2.331 0.08 2 1697 . 182 PRO CG C 27.709 0.20 1 1698 . 182 PRO HG2 H 2.084 0.08 2 1699 . 182 PRO CD C 50.157 0.20 1 1700 . 182 PRO HD3 H 3.678 0.08 2 1701 . 182 PRO HD2 H 3.739 0.08 2 1702 . 182 PRO C C 178.031 0.05 1 1703 . 183 SER N N 112.397 0.05 1 1704 . 183 SER H H 8.378 0.02 1 1705 . 183 SER CA C 56.828 0.20 1 1706 . 183 SER HA H 4.702 0.08 1 1707 . 183 SER CB C 63.635 0.20 1 1708 . 183 SER HB2 H 3.898 0.08 2 1709 . 183 SER C C 173.233 0.05 1 1710 . 184 GLU N N 125.602 0.05 1 1711 . 184 GLU H H 7.341 0.02 1 1712 . 184 GLU CA C 54.897 0.20 1 1713 . 184 GLU HA H 4.489 0.08 1 1714 . 184 GLU CB C 31.787 0.20 1 1715 . 184 GLU HB2 H 1.777 0.08 2 1716 . 184 GLU CG C 36.273 0.20 1 1717 . 184 GLU HG3 H 2.357 0.08 2 1718 . 184 GLU HG2 H 2.853 0.08 2 1719 . 184 GLU C C 176.673 0.05 1 1720 . 185 SER N N 126.645 0.05 1 1721 . 185 SER H H 9.710 0.02 1 1722 . 185 SER CA C 58.129 0.20 1 1723 . 185 SER HA H 4.440 0.08 1 1724 . 185 SER CB C 63.917 0.20 1 1725 . 185 SER HB3 H 4.113 0.08 2 1726 . 185 SER HB2 H 4.363 0.08 2 1727 . 185 SER C C 175.396 0.05 1 1728 . 186 PHE N N 124.574 0.05 1 1729 . 186 PHE H H 9.364 0.02 1 1730 . 186 PHE CA C 62.628 0.20 1 1731 . 186 PHE HA H 4.293 0.08 1 1732 . 186 PHE CB C 39.007 0.20 1 1733 . 186 PHE HB3 H 2.862 0.08 2 1734 . 186 PHE HB2 H 3.266 0.08 2 1735 . 186 PHE CD1 C 132.029 0.20 1 1736 . 186 PHE HD1 H 7.104 0.08 3 1737 . 186 PHE CE1 C 130.807 0.20 1 1738 . 186 PHE HE1 H 6.976 0.08 3 1739 . 186 PHE CZ C 127.832 0.20 1 1740 . 186 PHE HZ H 5.768 0.08 1 1741 . 186 PHE C C 176.877 0.05 1 1742 . 187 VAL N N 115.655 0.05 1 1743 . 187 VAL H H 8.259 0.02 1 1744 . 187 VAL CA C 66.314 0.20 1 1745 . 187 VAL HA H 3.411 0.08 1 1746 . 187 VAL CB C 32.091 0.20 1 1747 . 187 VAL HB H 1.974 0.08 1 1748 . 187 VAL CG2 C 23.169 0.20 1 1749 . 187 VAL HG2 H 1.075 0.08 2 1750 . 187 VAL CG1 C 20.747 0.20 1 1751 . 187 VAL HG1 H 0.915 0.08 1 1752 . 187 VAL C C 176.815 0.05 1 1753 . 188 ASP N N 121.470 0.05 1 1754 . 188 ASP H H 7.388 0.02 1 1755 . 188 ASP CA C 57.645 0.20 1 1756 . 188 ASP HA H 4.474 0.08 1 1757 . 188 ASP CB C 39.853 0.20 1 1758 . 188 ASP HB2 H 2.758 0.08 2 1759 . 188 ASP C C 179.424 0.05 1 1760 . 189 PHE N N 123.906 0.05 1 1761 . 189 PHE H H 7.876 0.02 1 1762 . 189 PHE CA C 59.479 0.20 1 1763 . 189 PHE HA H 4.409 0.08 1 1764 . 189 PHE CB C 38.911 0.20 1 1765 . 189 PHE HB3 H 2.890 0.08 2 1766 . 189 PHE HB2 H 3.330 0.08 2 1767 . 189 PHE CD1 C 132.370 0.20 1 1768 . 189 PHE HD1 H 7.004 0.08 3 1769 . 189 PHE CE1 C 131.202 0.20 1 1770 . 189 PHE HE1 H 7.201 0.08 3 1771 . 189 PHE CZ C 129.464 0.20 1 1772 . 189 PHE HZ H 7.105 0.08 1 1773 . 189 PHE C C 175.626 0.05 1 1774 . 190 ALA N N 122.416 0.05 1 1775 . 190 ALA H H 8.873 0.02 1 1776 . 190 ALA CA C 54.982 0.20 1 1777 . 190 ALA HA H 3.262 0.08 1 1778 . 190 ALA CB C 17.432 0.20 1 1779 . 190 ALA HB H 0.809 0.08 1 1780 . 190 ALA C C 179.400 0.05 1 1781 . 191 ASN N N 114.261 0.05 1 1782 . 191 ASN H H 8.076 0.02 1 1783 . 191 ASN CA C 56.243 0.20 1 1784 . 191 ASN HA H 4.396 0.08 1 1785 . 191 ASN CB C 38.208 0.20 1 1786 . 191 ASN HB3 H 2.702 0.08 2 1787 . 191 ASN HB2 H 2.892 0.08 2 1788 . 191 ASN CG C 175.868 0.20 1 1789 . 191 ASN ND2 N 112.125 0.05 1 1790 . 191 ASN HD21 H 7.711 0.02 1 1791 . 191 ASN HD22 H 6.779 0.02 1 1792 . 191 ASN C C 178.283 0.05 1 1793 . 192 ARG N N 120.518 0.05 1 1794 . 192 ARG H H 7.665 0.02 1 1795 . 192 ARG CA C 59.996 0.20 1 1796 . 192 ARG HA H 4.090 0.08 1 1797 . 192 ARG CB C 30.674 0.20 1 1798 . 192 ARG HB3 H 1.878 0.08 2 1799 . 192 ARG HB2 H 2.076 0.08 2 1800 . 192 ARG CG C 28.756 0.20 1 1801 . 192 ARG HG3 H 1.688 0.08 2 1802 . 192 ARG HG2 H 1.906 0.08 2 1803 . 192 ARG CD C 43.644 0.20 1 1804 . 192 ARG HD2 H 3.225 0.08 2 1805 . 192 ARG C C 179.347 0.05 1 1806 . 193 LEU N N 122.081 0.05 1 1807 . 193 LEU H H 8.306 0.02 1 1808 . 193 LEU CA C 58.031 0.20 1 1809 . 193 LEU HA H 4.017 0.08 1 1810 . 193 LEU CB C 42.215 0.20 1 1811 . 193 LEU HB3 H 1.182 0.08 2 1812 . 193 LEU HB2 H 1.510 0.08 2 1813 . 193 LEU CG C 27.458 0.20 1 1814 . 193 LEU HG H 1.288 0.08 1 1815 . 193 LEU CD1 C 26.968 0.20 1 1816 . 193 LEU HD1 H 0.753 0.08 1 1817 . 193 LEU CD2 C 24.866 0.20 1 1818 . 193 LEU HD2 H 0.853 0.08 2 1819 . 193 LEU C C 178.335 0.05 1 1820 . 194 ILE N N 119.344 0.05 1 1821 . 194 ILE H H 8.841 0.02 1 1822 . 194 ILE CA C 66.636 0.20 1 1823 . 194 ILE HA H 3.239 0.08 1 1824 . 194 ILE CB C 38.112 0.20 1 1825 . 194 ILE HB H 1.781 0.08 1 1826 . 194 ILE CG1 C 31.090 0.20 1 1827 . 194 ILE HG13 H 0.859 0.08 2 1828 . 194 ILE HG12 H 1.825 0.08 2 1829 . 194 ILE CD1 C 13.801 0.20 1 1830 . 194 ILE HD1 H 0.853 0.08 1 1831 . 194 ILE CG2 C 17.325 0.20 1 1832 . 194 ILE HG2 H 0.824 0.08 1 1833 . 194 ILE C C 178.242 0.05 1 1834 . 195 LYS N N 118.049 0.05 1 1835 . 195 LYS H H 7.763 0.02 1 1836 . 195 LYS CA C 59.500 0.20 1 1837 . 195 LYS HA H 4.025 0.08 1 1838 . 195 LYS CB C 32.368 0.20 1 1839 . 195 LYS HB3 H 1.836 0.08 2 1840 . 195 LYS HB2 H 1.912 0.08 2 1841 . 195 LYS CG C 25.319 0.20 1 1842 . 195 LYS HG2 H 1.680 0.08 2 1843 . 195 LYS CD C 29.044 0.20 1 1844 . 195 LYS HD2 H 1.684 0.08 2 1845 . 195 LYS CE C 42.143 0.20 1 1846 . 195 LYS HE2 H 2.977 0.08 2 1847 . 195 LYS C C 179.818 0.05 1 1848 . 196 ALA N N 121.274 0.05 1 1849 . 196 ALA H H 7.610 0.02 1 1850 . 196 ALA CA C 54.848 0.20 1 1851 . 196 ALA HA H 4.220 0.08 1 1852 . 196 ALA CB C 19.012 0.20 1 1853 . 196 ALA HB H 1.582 0.08 1 1854 . 196 ALA C C 180.672 0.05 1 1855 . 197 VAL N N 118.236 0.05 1 1856 . 197 VAL H H 8.273 0.02 1 1857 . 197 VAL CA C 66.550 0.20 1 1858 . 197 VAL HA H 3.559 0.08 1 1859 . 197 VAL CB C 31.772 0.20 1 1860 . 197 VAL HB H 1.842 0.08 1 1861 . 197 VAL CG2 C 23.147 0.20 1 1862 . 197 VAL HG2 H 0.584 0.08 2 1863 . 197 VAL CG1 C 21.315 0.20 1 1864 . 197 VAL HG1 H 0.577 0.08 1 1865 . 197 VAL C C 180.140 0.05 1 1866 . 198 GLU N N 121.403 0.05 1 1867 . 198 GLU H H 9.151 0.02 1 1868 . 198 GLU CA C 59.776 0.20 1 1869 . 198 GLU HA H 3.874 0.08 1 1870 . 198 GLU CB C 29.352 0.20 1 1871 . 198 GLU HB2 H 2.041 0.08 2 1872 . 198 GLU CG C 37.431 0.20 1 1873 . 198 GLU HG3 H 2.066 0.08 2 1874 . 198 GLU HG2 H 2.481 0.08 2 1875 . 198 GLU C C 177.498 0.05 1 1876 . 199 GLY N N 103.946 0.05 1 1877 . 199 GLY H H 7.540 0.02 1 1878 . 199 GLY CA C 45.064 0.20 1 1879 . 199 GLY HA3 H 3.773 0.08 2 1880 . 199 GLY HA2 H 4.331 0.08 2 1881 . 199 GLY C C 174.297 0.05 1 1882 . 200 SER N N 116.984 0.05 1 1883 . 200 SER H H 7.450 0.02 1 1884 . 200 SER CA C 58.657 0.20 1 1885 . 200 SER HA H 4.801 0.08 1 1886 . 200 SER CB C 65.957 0.20 1 1887 . 200 SER HB3 H 4.411 0.08 2 1888 . 200 SER HB2 H 4.583 0.08 2 1889 . 200 SER HG H 5.94 0.08 1 1890 . 200 SER C C 173.315 0.05 1 1891 . 201 ASP N N 116.918 0.05 1 1892 . 201 ASP H H 8.599 0.02 1 1893 . 201 ASP CA C 53.681 0.20 1 1894 . 201 ASP HA H 4.750 0.08 1 1895 . 201 ASP CB C 40.526 0.20 1 1896 . 201 ASP HB2 H 2.838 0.08 2 1897 . 201 ASP C C 176.937 0.05 1 1898 . 202 LEU N N 122.329 0.05 1 1899 . 202 LEU H H 8.012 0.02 1 1900 . 202 LEU CA C 53.793 0.20 1 1901 . 202 LEU HA H 4.425 0.08 1 1902 . 202 LEU CB C 42.640 0.20 1 1903 . 202 LEU HB3 H 1.190 0.08 2 1904 . 202 LEU HB2 H 1.525 0.08 2 1905 . 202 LEU CG C 26.960 0.20 1 1906 . 202 LEU HG H 1.802 0.08 1 1907 . 202 LEU CD1 C 26.177 0.20 1 1908 . 202 LEU HD1 H 0.521 0.08 1 1909 . 202 LEU CD2 C 24.194 0.20 1 1910 . 202 LEU HD2 H 0.806 0.08 2 1911 . 202 LEU C C 171.669 0.05 9 1912 . 203 PRO CA C 61.567 0.20 1 1913 . 203 PRO HA H 4.773 0.08 1 1914 . 203 PRO CB C 31.187 0.20 1 1915 . 203 PRO HB3 H 1.895 0.08 2 1916 . 203 PRO HB2 H 2.465 0.08 2 1917 . 203 PRO CG C 27.907 0.20 1 1918 . 203 PRO HG2 H 2.108 0.08 2 1919 . 203 PRO CD C 50.617 0.20 1 1920 . 203 PRO HD3 H 3.484 0.08 2 1921 . 203 PRO HD2 H 4.002 0.08 2 1922 . 203 PRO C C 176.348 0.05 1 1923 . 204 PRO CA C 66.371 0.20 1 1924 . 204 PRO HA H 3.869 0.08 1 1925 . 204 PRO CB C 32.349 0.20 1 1926 . 204 PRO HB3 H 2.005 0.08 2 1927 . 204 PRO HB2 H 2.360 0.08 2 1928 . 204 PRO CG C 28.013 0.20 1 1929 . 204 PRO HG3 H 1.981 0.08 2 1930 . 204 PRO HG2 H 2.204 0.08 2 1931 . 204 PRO CD C 50.552 0.20 1 1932 . 204 PRO HD3 H 3.822 0.08 2 1933 . 204 PRO HD2 H 3.883 0.08 2 1934 . 204 PRO C C 179.271 0.05 1 1935 . 205 SER N N 110.792 0.05 1 1936 . 205 SER H H 8.395 0.02 1 1937 . 205 SER CA C 60.541 0.20 1 1938 . 205 SER HA H 4.182 0.08 1 1939 . 205 SER CB C 63.093 0.20 1 1940 . 205 SER HB2 H 3.932 0.08 2 1941 . 205 SER C C 174.715 0.05 1 1942 . 206 ALA N N 122.690 0.05 1 1943 . 206 ALA H H 7.922 0.02 1 1944 . 206 ALA CA C 51.663 0.20 1 1945 . 206 ALA HA H 4.456 0.08 1 1946 . 206 ALA CB C 20.638 0.20 1 1947 . 206 ALA HB H 1.442 0.08 1 1948 . 206 ALA C C 177.932 0.05 1 1949 . 207 ARG N N 116.470 0.05 1 1950 . 207 ARG H H 7.161 0.02 1 1951 . 207 ARG CA C 60.701 0.20 1 1952 . 207 ARG HA H 3.462 0.08 1 1953 . 207 ARG CB C 30.814 0.20 1 1954 . 207 ARG HB3 H 1.543 0.08 2 1955 . 207 ARG HB2 H 1.755 0.08 2 1956 . 207 ARG CG C 28.542 0.20 1 1957 . 207 ARG HG3 H 1.070 0.08 2 1958 . 207 ARG HG2 H 1.940 0.08 2 1959 . 207 ARG CD C 43.406 0.20 1 1960 . 207 ARG HD3 H 2.969 0.08 2 1961 . 207 ARG HD2 H 3.202 0.08 2 1962 . 207 ARG C C 176.778 0.05 1 1963 . 208 ALA N N 119.293 0.05 1 1964 . 208 ALA H H 8.673 0.02 1 1965 . 208 ALA CA C 57.132 0.20 1 1966 . 208 ALA HA H 4.015 0.08 1 1967 . 208 ALA CB C 15.771 0.20 1 1968 . 208 ALA HB H 1.513 0.08 1 1969 . 208 ALA C C 176.148 0.05 1 1970 . 209 PRO CA C 65.987 0.20 1 1971 . 209 PRO HA H 4.142 0.08 1 1972 . 209 PRO CB C 31.046 0.20 1 1973 . 209 PRO HB3 H 1.809 0.08 2 1974 . 209 PRO HB2 H 2.249 0.08 2 1975 . 209 PRO CG C 27.890 0.20 1 1976 . 209 PRO HG2 H 2.110 0.08 2 1977 . 209 PRO CD C 49.888 0.20 1 1978 . 209 PRO HD2 H 3.569 0.08 2 1979 . 209 PRO C C 179.971 0.05 1 1980 . 210 VAL N N 118.084 0.05 1 1981 . 210 VAL H H 6.952 0.02 1 1982 . 210 VAL CA C 66.571 0.20 1 1983 . 210 VAL HA H 3.642 0.08 1 1984 . 210 VAL CB C 31.813 0.20 1 1985 . 210 VAL HB H 1.772 0.08 1 1986 . 210 VAL CG2 C 23.409 0.20 1 1987 . 210 VAL HG2 H 0.864 0.08 2 1988 . 210 VAL CG1 C 20.605 0.20 1 1989 . 210 VAL HG1 H 0.026 0.08 1 1990 . 210 VAL C C 179.440 0.05 1 1991 . 211 ILE N N 120.879 0.05 1 1992 . 211 ILE H H 8.083 0.02 1 1993 . 211 ILE CA C 66.010 0.20 1 1994 . 211 ILE HA H 2.950 0.08 1 1995 . 211 ILE CB C 37.894 0.20 1 1996 . 211 ILE HB H 1.565 0.08 1 1997 . 211 ILE CG1 C 30.910 0.20 1 1998 . 211 ILE HG13 H 0.327 0.08 2 1999 . 211 ILE HG12 H 1.602 0.08 2 2000 . 211 ILE CD1 C 14.828 0.20 1 2001 . 211 ILE HD1 H 0.690 0.08 1 2002 . 211 ILE CG2 C 18.706 0.20 1 2003 . 211 ILE HG2 H 0.016 0.08 1 2004 . 211 ILE C C 177.056 0.05 9 2005 . 212 ILE N N 117.173 0.05 1 2006 . 212 ILE H H 8.164 0.02 1 2007 . 212 ILE CA C 65.692 0.20 1 2008 . 212 ILE HA H 3.320 0.08 1 2009 . 212 ILE CB C 37.548 0.20 1 2010 . 212 ILE HB H 1.743 0.08 1 2011 . 212 ILE CG1 C 29.949 0.20 1 2012 . 212 ILE HG13 H 0.853 0.08 2 2013 . 212 ILE HG12 H 1.544 0.08 2 2014 . 212 ILE CD1 C 12.789 0.20 1 2015 . 212 ILE HD1 H 0.565 0.08 1 2016 . 212 ILE CG2 C 17.499 0.20 1 2017 . 212 ILE HG2 H 0.862 0.08 1 2018 . 212 ILE C C 178.055 0.05 1 2019 . 213 ASP N N 120.655 0.05 1 2020 . 213 ASP H H 7.902 0.02 1 2021 . 213 ASP CA C 58.043 0.20 1 2022 . 213 ASP HA H 4.443 0.08 1 2023 . 213 ASP CB C 41.516 0.20 1 2024 . 213 ASP HB3 H 2.754 0.08 2 2025 . 213 ASP HB2 H 2.822 0.08 2 2026 . 213 ASP C C 179.226 0.05 1 2027 . 214 CYS N N 117.491 0.05 1 2028 . 214 CYS H H 8.266 0.02 1 2029 . 214 CYS CA C 64.521 0.20 1 2030 . 214 CYS HA H 4.331 0.08 1 2031 . 214 CYS CB C 27.785 0.20 1 2032 . 214 CYS HB3 H 2.810 0.08 2 2033 . 214 CYS HB2 H 3.255 0.08 2 2034 . 214 CYS C C 178.585 0.05 1 2035 . 215 PHE N N 119.850 0.05 1 2036 . 215 PHE H H 8.899 0.02 1 2037 . 215 PHE CA C 58.005 0.20 1 2038 . 215 PHE HA H 4.809 0.08 1 2039 . 215 PHE CB C 37.489 0.20 1 2040 . 215 PHE HB3 H 3.342 0.08 2 2041 . 215 PHE HB2 H 3.911 0.08 2 2042 . 215 PHE CD1 C 129.374 0.20 1 2043 . 215 PHE HD1 H 7.107 0.08 3 2044 . 215 PHE CE1 C 131.022 0.20 1 2045 . 215 PHE HE1 H 7.041 0.08 3 2046 . 215 PHE CZ C 128.801 0.20 1 2047 . 215 PHE HZ H 6.885 0.08 1 2048 . 215 PHE C C 178.805 0.05 1 2049 . 216 ARG N N 116.866 0.05 1 2050 . 216 ARG H H 8.306 0.02 1 2051 . 216 ARG CA C 60.117 0.20 1 2052 . 216 ARG HA H 3.994 0.08 1 2053 . 216 ARG CB C 31.325 0.20 1 2054 . 216 ARG HB3 H 2.001 0.08 2 2055 . 216 ARG HB2 H 2.233 0.08 2 2056 . 216 ARG CG C 29.448 0.20 1 2057 . 216 ARG HG3 H 1.610 0.08 2 2058 . 216 ARG HG2 H 1.997 0.08 2 2059 . 216 ARG CD C 43.650 0.20 1 2060 . 216 ARG HD2 H 3.275 0.08 2 2061 . 216 ARG C C 177.471 0.05 1 2062 . 217 GLN N N 112.546 0.05 1 2063 . 217 GLN H H 7.983 0.02 1 2064 . 217 GLN CA C 58.057 0.20 1 2065 . 217 GLN HA H 4.573 0.08 1 2066 . 217 GLN CB C 32.443 0.20 1 2067 . 217 GLN HB3 H 2.024 0.08 2 2068 . 217 GLN HB2 H 2.373 0.08 2 2069 . 217 GLN CG C 34.338 0.20 1 2070 . 217 GLN HG3 H 2.431 0.08 2 2071 . 217 GLN HG2 H 2.668 0.08 2 2072 . 217 GLN CD C 179.957 0.20 1 2073 . 217 GLN NE2 N 112.993 0.05 1 2074 . 217 GLN HE21 H 7.689 0.02 1 2075 . 217 GLN HE22 H 6.812 0.02 1 2076 . 217 GLN C C 178.586 0.05 1 2077 . 218 LYS N N 114.941 0.05 1 2078 . 218 LYS H H 8.926 0.02 1 2079 . 218 LYS CA C 55.423 0.20 1 2080 . 218 LYS HA H 4.819 0.08 1 2081 . 218 LYS CB C 33.235 0.20 1 2082 . 218 LYS HB3 H 2.328 0.08 2 2083 . 218 LYS HB2 H 2.622 0.08 2 2084 . 218 LYS CG C 24.933 0.20 1 2085 . 218 LYS HG3 H 1.566 0.08 2 2086 . 218 LYS HG2 H 1.877 0.08 2 2087 . 218 LYS CD C 28.409 0.20 1 2088 . 218 LYS HD3 H 1.778 0.08 2 2089 . 218 LYS HD2 H 1.892 0.08 2 2090 . 218 LYS CE C 42.503 0.20 1 2091 . 218 LYS HE2 H 3.125 0.08 2 2092 . 218 LYS C C 177.140 0.05 1 2093 . 219 SER N N 113.069 0.05 1 2094 . 219 SER H H 7.047 0.02 1 2095 . 219 SER CA C 57.839 0.20 1 2096 . 219 SER HA H 4.386 0.08 1 2097 . 219 SER CB C 65.072 0.20 1 2098 . 219 SER HB3 H 4.011 0.08 2 2099 . 219 SER HB2 H 4.159 0.08 2 2100 . 219 SER HG H 5.66 0.08 1 2101 . 219 SER C C 174.272 0.05 1 2102 . 220 GLN N N 121.292 0.05 1 2103 . 220 GLN H H 8.497 0.02 1 2104 . 220 GLN CA C 55.551 0.20 1 2105 . 220 GLN HA H 4.299 0.08 1 2106 . 220 GLN CB C 28.639 0.20 1 2107 . 220 GLN HB3 H 1.636 0.08 2 2108 . 220 GLN HB2 H 1.785 0.08 2 2109 . 220 GLN CG C 34.194 0.20 1 2110 . 220 GLN HG3 H 1.943 0.08 2 2111 . 220 GLN HG2 H 2.383 0.08 2 2112 . 220 GLN CD C 179.555 0.20 1 2113 . 220 GLN NE2 N 114.033 0.05 1 2114 . 220 GLN HE21 H 7.418 0.02 1 2115 . 220 GLN HE22 H 7.036 0.02 1 2116 . 220 GLN C C 182.221 0.05 1 2117 . 221 PRO CA C 66.779 0.20 1 2118 . 221 PRO HA H 4.167 0.08 1 2119 . 221 PRO CB C 32.490 0.20 1 2120 . 221 PRO HB3 H 1.986 0.08 2 2121 . 221 PRO HB2 H 2.401 0.08 2 2122 . 221 PRO CG C 28.131 0.20 1 2123 . 221 PRO HG3 H 2.038 0.08 2 2124 . 221 PRO HG2 H 2.204 0.08 2 2125 . 221 PRO CD C 50.613 0.20 1 2126 . 221 PRO HD2 H 3.796 0.08 2 2127 . 221 PRO C C 178.459 0.05 1 2128 . 222 ASP N N 115.784 0.05 1 2129 . 222 ASP H H 9.009 0.02 1 2130 . 222 ASP CA C 56.781 0.20 1 2131 . 222 ASP HA H 4.319 0.08 1 2132 . 222 ASP CB C 39.060 0.20 1 2133 . 222 ASP HB3 H 2.558 0.08 2 2134 . 222 ASP HB2 H 2.686 0.08 2 2135 . 222 ASP C C 179.005 0.05 1 2136 . 223 ILE N N 122.371 0.05 1 2137 . 223 ILE H H 7.409 0.02 1 2138 . 223 ILE CA C 62.040 0.20 1 2139 . 223 ILE HA H 3.733 0.08 1 2140 . 223 ILE CB C 35.918 0.20 1 2141 . 223 ILE HB H 2.297 0.08 1 2142 . 223 ILE CG1 C 27.468 0.20 1 2143 . 223 ILE HG13 H 1.447 0.08 2 2144 . 223 ILE HG12 H 1.661 0.08 2 2145 . 223 ILE CD1 C 10.187 0.20 1 2146 . 223 ILE HD1 H 0.678 0.08 1 2147 . 223 ILE CG2 C 18.322 0.20 1 2148 . 223 ILE HG2 H 0.624 0.08 1 2149 . 223 ILE C C 178.549 0.05 1 2150 . 224 GLN N N 120.688 0.05 1 2151 . 224 GLN H H 8.499 0.02 1 2152 . 224 GLN CA C 60.482 0.20 1 2153 . 224 GLN HA H 3.720 0.08 1 2154 . 224 GLN CB C 28.320 0.20 1 2155 . 224 GLN HB2 H 2.101 0.08 2 2156 . 224 GLN CG C 34.370 0.20 1 2157 . 224 GLN HG2 H 2.281 0.08 2 2158 . 224 GLN C C 179.502 0.05 1 2159 . 225 GLN N N 115.462 0.05 1 2160 . 225 GLN H H 7.644 0.02 1 2161 . 225 GLN CA C 58.872 0.20 1 2162 . 225 GLN HA H 3.976 0.08 1 2163 . 225 GLN CB C 28.319 0.20 1 2164 . 225 GLN HB2 H 2.135 0.08 2 2165 . 225 GLN CG C 33.668 0.20 1 2166 . 225 GLN HG3 H 2.450 0.08 2 2167 . 225 GLN HG2 H 2.494 0.08 2 2168 . 225 GLN CD C 180.094 0.20 1 2169 . 225 GLN NE2 N 111.880 0.05 1 2170 . 225 GLN HE21 H 7.426 0.02 1 2171 . 225 GLN HE22 H 6.842 0.02 1 2172 . 225 GLN C C 178.561 0.05 1 2173 . 226 LEU N N 119.958 0.05 1 2174 . 226 LEU H H 7.369 0.02 1 2175 . 226 LEU CA C 57.828 0.20 1 2176 . 226 LEU HA H 4.182 0.08 1 2177 . 226 LEU CB C 42.838 0.20 1 2178 . 226 LEU HB3 H 1.525 0.08 2 2179 . 226 LEU HB2 H 2.051 0.08 2 2180 . 226 LEU CG C 26.830 0.20 1 2181 . 226 LEU HG H 1.863 0.08 1 2182 . 226 LEU CD1 C 25.795 0.20 1 2183 . 226 LEU HD1 H 0.851 0.08 1 2184 . 226 LEU CD2 C 24.487 0.20 1 2185 . 226 LEU HD2 H 0.824 0.08 2 2186 . 226 LEU C C 180.144 0.05 1 2187 . 227 ILE N N 118.977 0.05 1 2188 . 227 ILE H H 8.566 0.02 1 2189 . 227 ILE CA C 65.564 0.20 1 2190 . 227 ILE HA H 3.553 0.08 1 2191 . 227 ILE CB C 37.792 0.20 1 2192 . 227 ILE HB H 1.847 0.08 1 2193 . 227 ILE CG1 C 29.907 0.20 1 2194 . 227 ILE HG13 H 0.766 0.08 2 2195 . 227 ILE HG12 H 1.657 0.08 2 2196 . 227 ILE CD1 C 14.494 0.20 1 2197 . 227 ILE HD1 H 0.629 0.08 1 2198 . 227 ILE CG2 C 17.782 0.20 1 2199 . 227 ILE HG2 H 0.883 0.08 1 2200 . 227 ILE C C 178.929 0.05 1 2201 . 228 ARG N N 119.922 0.05 1 2202 . 228 ARG H H 8.243 0.02 1 2203 . 228 ARG CA C 59.396 0.20 1 2204 . 228 ARG HA H 4.050 0.08 1 2205 . 228 ARG CB C 30.369 0.20 1 2206 . 228 ARG HB2 H 1.914 0.08 2 2207 . 228 ARG CG C 28.456 0.20 1 2208 . 228 ARG HG3 H 1.619 0.08 2 2209 . 228 ARG HG2 H 1.897 0.08 2 2210 . 228 ARG CD C 43.369 0.20 1 2211 . 228 ARG HD2 H 3.152 0.08 2 2212 . 228 ARG C C 176.930 0.05 1 2213 . 229 ALA N N 119.046 0.05 1 2214 . 229 ALA H H 7.174 0.02 1 2215 . 229 ALA CA C 51.474 0.20 1 2216 . 229 ALA HA H 4.430 0.08 1 2217 . 229 ALA CB C 19.299 0.20 1 2218 . 229 ALA HB H 1.517 0.08 1 2219 . 229 ALA C C 176.618 0.05 1 2220 . 230 ALA N N 123.861 0.05 1 2221 . 230 ALA H H 7.284 0.02 1 2222 . 230 ALA CA C 50.859 0.20 1 2223 . 230 ALA HA H 3.895 0.08 1 2224 . 230 ALA CB C 17.039 0.20 1 2225 . 230 ALA HB H 0.872 0.08 1 2226 . 230 ALA C C 175.651 0.05 1 2227 . 231 PRO CA C 63.142 0.20 1 2228 . 231 PRO HA H 4.455 0.08 1 2229 . 231 PRO CB C 32.556 0.20 1 2230 . 231 PRO HB3 H 1.876 0.08 2 2231 . 231 PRO HB2 H 2.385 0.08 2 2232 . 231 PRO CG C 27.273 0.20 1 2233 . 231 PRO HG2 H 2.033 0.08 2 2234 . 231 PRO CD C 50.481 0.20 1 2235 . 231 PRO HD3 H 3.050 0.08 2 2236 . 231 PRO HD2 H 3.705 0.08 2 2237 . 231 PRO C C 178.428 0.05 1 2238 . 232 SER N N 117.956 0.05 1 2239 . 232 SER H H 8.717 0.02 1 2240 . 232 SER CA C 59.843 0.20 1 2241 . 232 SER HA H 4.223 0.08 1 2242 . 232 SER CB C 63.453 0.20 1 2243 . 232 SER HB2 H 3.944 0.08 2 2244 . 232 SER C C 174.549 0.05 1 2245 . 233 THR N N 108.371 0.05 1 2246 . 233 THR H H 7.104 0.02 1 2247 . 233 THR CA C 61.940 0.20 1 2248 . 233 THR HA H 4.046 0.08 1 2249 . 233 THR CB C 68.353 0.20 1 2250 . 233 THR HB H 4.351 0.08 1 2251 . 233 THR CG2 C 22.929 0.20 1 2252 . 233 THR HG2 H 1.154 0.08 1 2253 . 233 THR C C 175.105 0.05 1 2254 . 234 LEU N N 122.611 0.05 1 2255 . 234 LEU H H 7.266 0.02 1 2256 . 234 LEU CA C 54.322 0.20 1 2257 . 234 LEU HA H 4.538 0.08 1 2258 . 234 LEU CB C 40.389 0.20 1 2259 . 234 LEU HB3 H 1.072 0.08 2 2260 . 234 LEU HB2 H 1.843 0.08 2 2261 . 234 LEU CG C 26.672 0.20 1 2262 . 234 LEU HG H 1.583 0.08 1 2263 . 234 LEU CD1 C 26.682 0.20 1 2264 . 234 LEU HD1 H 0.680 0.08 1 2265 . 234 LEU CD2 C 22.680 0.20 1 2266 . 234 LEU HD2 H 0.742 0.08 2 2267 . 234 LEU C C 176.352 0.05 1 2268 . 235 THR N N 111.953 0.05 1 2269 . 235 THR H H 8.446 0.02 1 2270 . 235 THR CA C 61.903 0.20 1 2271 . 235 THR HA H 4.423 0.08 1 2272 . 235 THR CB C 70.417 0.20 1 2273 . 235 THR HB H 4.356 0.08 1 2274 . 235 THR CG2 C 21.633 0.20 1 2275 . 235 THR HG2 H 1.114 0.08 1 2276 . 235 THR C C 174.837 0.05 1 2277 . 236 THR N N 111.553 0.05 1 2278 . 236 THR H H 7.763 0.02 1 2279 . 236 THR CA C 58.220 0.20 1 2280 . 236 THR HA H 5.045 0.08 1 2281 . 236 THR CB C 69.549 0.20 1 2282 . 236 THR HB H 4.504 0.08 1 2283 . 236 THR CG2 C 22.059 0.20 1 2284 . 236 THR HG2 H 1.218 0.08 1 2285 . 236 THR C C 173.958 0.05 1 2286 . 237 PRO CA C 66.103 0.20 1 2287 . 237 PRO HA H 4.127 0.08 1 2288 . 237 PRO CB C 32.202 0.20 1 2289 . 237 PRO HB2 H 2.186 0.08 2 2290 . 237 PRO CG C 28.667 0.20 1 2291 . 237 PRO HG3 H 1.733 0.08 2 2292 . 237 PRO HG2 H 2.287 0.08 2 2293 . 237 PRO CD C 50.604 0.20 1 2294 . 237 PRO HD3 H 3.793 0.08 2 2295 . 237 PRO HD2 H 4.030 0.08 2 2296 . 237 PRO C C 178.422 0.05 1 2297 . 238 GLY N N 103.333 0.05 1 2298 . 238 GLY H H 8.911 0.02 1 2299 . 238 GLY CA C 47.121 0.20 1 2300 . 238 GLY HA3 H 3.794 0.08 2 2301 . 238 GLY HA2 H 3.981 0.08 2 2302 . 238 GLY C C 177.213 0.05 1 2303 . 239 GLU N N 120.649 0.05 1 2304 . 239 GLU H H 7.736 0.02 1 2305 . 239 GLU CA C 59.017 0.20 1 2306 . 239 GLU HA H 4.103 0.08 1 2307 . 239 GLU CB C 31.190 0.20 1 2308 . 239 GLU HB3 H 2.064 0.08 2 2309 . 239 GLU HB2 H 2.296 0.08 2 2310 . 239 GLU CG C 37.695 0.20 1 2311 . 239 GLU HG2 H 2.334 0.08 2 2312 . 239 GLU C C 179.835 0.05 1 2313 . 240 ILE N N 120.987 0.05 1 2314 . 240 ILE H H 7.735 0.02 1 2315 . 240 ILE CA C 63.856 0.20 1 2316 . 240 ILE HA H 3.876 0.08 1 2317 . 240 ILE CB C 36.767 0.20 1 2318 . 240 ILE HB H 2.306 0.08 1 2319 . 240 ILE CG1 C 29.020 0.20 1 2320 . 240 ILE HG13 H 1.383 0.08 2 2321 . 240 ILE HG12 H 1.601 0.08 2 2322 . 240 ILE CD1 C 11.732 0.20 1 2323 . 240 ILE HD1 H 0.776 0.08 1 2324 . 240 ILE CG2 C 18.616 0.20 1 2325 . 240 ILE HG2 H 0.974 0.08 1 2326 . 240 ILE C C 177.297 0.05 1 2327 . 241 ILE N N 120.074 0.05 1 2328 . 241 ILE H H 8.631 0.02 1 2329 . 241 ILE CA C 66.711 0.20 1 2330 . 241 ILE HA H 3.640 0.08 1 2331 . 241 ILE CB C 38.979 0.20 1 2332 . 241 ILE HB H 1.912 0.08 1 2333 . 241 ILE CG1 C 27.476 0.20 1 2334 . 241 ILE HG13 H 1.703 0.08 2 2335 . 241 ILE HG12 H 1.984 0.08 2 2336 . 241 ILE CD1 C 14.183 0.20 1 2337 . 241 ILE HD1 H 0.847 0.08 1 2338 . 241 ILE CG2 C 17.539 0.20 1 2339 . 241 ILE HG2 H 0.961 0.08 1 2340 . 241 ILE C C 177.132 0.05 1 2341 . 242 LYS N N 117.413 0.05 1 2342 . 242 LYS H H 7.608 0.02 1 2343 . 242 LYS CA C 59.692 0.20 1 2344 . 242 LYS HA H 3.890 0.08 1 2345 . 242 LYS CB C 32.260 0.20 1 2346 . 242 LYS HB2 H 1.912 0.08 2 2347 . 242 LYS CG C 25.501 0.20 1 2348 . 242 LYS HG3 H 0.870 0.08 2 2349 . 242 LYS HG2 H 1.457 0.08 2 2350 . 242 LYS CD C 29.010 0.20 1 2351 . 242 LYS HD2 H 1.695 0.08 2 2352 . 242 LYS CE C 42.286 0.20 1 2353 . 242 LYS HE2 H 3.031 0.08 2 2354 . 242 LYS C C 177.469 0.05 1 2355 . 243 TYR N N 119.221 0.05 1 2356 . 243 TYR H H 7.760 0.02 1 2357 . 243 TYR CA C 61.277 0.20 1 2358 . 243 TYR HA H 4.192 0.08 1 2359 . 243 TYR CB C 38.402 0.20 1 2360 . 243 TYR HB3 H 3.153 0.08 2 2361 . 243 TYR HB2 H 3.219 0.08 2 2362 . 243 TYR CD1 C 133.244 0.20 1 2363 . 243 TYR HD1 H 7.013 0.08 3 2364 . 243 TYR CE1 C 117.656 0.20 1 2365 . 243 TYR HE1 H 6.725 0.08 3 2366 . 243 TYR C C 177.541 0.05 1 2367 . 244 VAL N N 119.198 0.05 1 2368 . 244 VAL H H 8.269 0.02 1 2369 . 244 VAL CA C 66.951 0.20 1 2370 . 244 VAL HA H 3.095 0.08 1 2371 . 244 VAL CB C 31.568 0.20 1 2372 . 244 VAL HB H 1.898 0.08 1 2373 . 244 VAL CG2 C 23.156 0.20 1 2374 . 244 VAL HG2 H 0.572 0.08 2 2375 . 244 VAL CG1 C 21.399 0.20 1 2376 . 244 VAL HG1 H 0.300 0.08 1 2377 . 244 VAL C C 178.282 0.05 1 2378 . 245 LEU N N 119.048 0.05 1 2379 . 245 LEU H H 8.422 0.02 1 2380 . 245 LEU CA C 58.164 0.20 1 2381 . 245 LEU HA H 3.998 0.08 1 2382 . 245 LEU CB C 41.278 0.20 1 2383 . 245 LEU HB3 H 1.530 0.08 2 2384 . 245 LEU HB2 H 1.916 0.08 2 2385 . 245 LEU CG C 27.397 0.20 1 2386 . 245 LEU HG H 1.987 0.08 1 2387 . 245 LEU CD1 C 25.498 0.20 1 2388 . 245 LEU HD1 H 0.908 0.08 1 2389 . 245 LEU CD2 C 23.007 0.20 1 2390 . 245 LEU HD2 H 0.930 0.08 2 2391 . 245 LEU C C 180.724 0.05 1 2392 . 246 ASP N N 119.059 0.05 1 2393 . 246 ASP H H 8.402 0.02 1 2394 . 246 ASP CA C 56.919 0.20 1 2395 . 246 ASP HA H 4.394 0.08 1 2396 . 246 ASP CB C 40.599 0.20 1 2397 . 246 ASP HB3 H 2.542 0.08 2 2398 . 246 ASP HB2 H 2.754 0.08 2 2399 . 246 ASP C C 178.931 0.05 1 2400 . 247 ARG N N 118.356 0.05 1 2401 . 247 ARG H H 7.734 0.02 1 2402 . 247 ARG CA C 56.633 0.20 1 2403 . 247 ARG HA H 4.081 0.08 1 2404 . 247 ARG CB C 30.157 0.20 1 2405 . 247 ARG HB3 H 1.574 0.08 2 2406 . 247 ARG HB2 H 1.781 0.08 2 2407 . 247 ARG CG C 26.562 0.20 1 2408 . 247 ARG HG3 H 1.259 0.08 2 2409 . 247 ARG HG2 H 1.346 0.08 2 2410 . 247 ARG CD C 42.102 0.20 1 2411 . 247 ARG HD3 H 2.771 0.08 2 2412 . 247 ARG HD2 H 2.909 0.08 2 2413 . 247 ARG C C 178.017 0.05 1 2414 . 248 GLN N N 118.181 0.05 1 2415 . 248 GLN H H 7.955 0.02 1 2416 . 248 GLN CA C 57.197 0.20 1 2417 . 248 GLN HA H 4.152 0.08 1 2418 . 248 GLN CB C 29.427 0.20 1 2419 . 248 GLN HB2 H 2.035 0.08 2 2420 . 248 GLN CG C 34.396 0.20 1 2421 . 248 GLN HG3 H 2.233 0.08 2 2422 . 248 GLN HG2 H 2.472 0.08 2 2423 . 248 GLN CD C 180.075 0.20 1 2424 . 248 GLN NE2 N 110.318 0.05 1 2425 . 248 GLN HE21 H 7.281 0.02 1 2426 . 248 GLN HE22 H 6.573 0.02 1 2427 . 248 GLN C C 176.374 0.05 1 2428 . 249 LYS N N 119.673 0.05 1 2429 . 249 LYS H H 7.725 0.02 1 2430 . 249 LYS CA C 56.981 0.20 1 2431 . 249 LYS HA H 4.236 0.08 1 2432 . 249 LYS CB C 32.682 0.20 1 2433 . 249 LYS HB2 H 1.865 0.08 2 2434 . 249 LYS CG C 24.998 0.20 1 2435 . 249 LYS HG2 H 1.455 0.08 2 2436 . 249 LYS CD C 29.397 0.20 1 2437 . 249 LYS HD2 H 1.674 0.08 2 2438 . 249 LYS CE C 42.108 0.20 1 2439 . 249 LYS HE2 H 2.997 0.08 2 2440 . 249 LYS C C 176.600 0.05 1 2441 . 250 ILE N N 120.224 0.05 1 2442 . 250 ILE H H 7.794 0.02 1 2443 . 250 ILE CA C 60.975 0.20 1 2444 . 250 ILE HA H 4.151 0.08 1 2445 . 250 ILE CB C 38.770 0.20 1 2446 . 250 ILE HB H 1.827 0.08 1 2447 . 250 ILE CG1 C 27.396 0.20 1 2448 . 250 ILE HG13 H 1.107 0.08 2 2449 . 250 ILE HG12 H 1.427 0.08 2 2450 . 250 ILE CD1 C 12.991 0.20 1 2451 . 250 ILE HD1 H 0.804 0.08 1 2452 . 250 ILE CG2 C 17.236 0.20 1 2453 . 250 ILE HG2 H 0.891 0.08 1 2454 . 250 ILE C C 175.735 0.05 1 2455 . 251 ALA N N 129.109 0.05 1 2456 . 251 ALA H H 8.165 0.02 1 2457 . 251 ALA CA C 50.779 0.20 1 2458 . 251 ALA HA H 4.593 0.08 1 2459 . 251 ALA CB C 18.459 0.20 1 2460 . 251 ALA HB H 1.343 0.08 1 2461 . 251 ALA C C 175.452 0.05 1 2462 . 252 PRO CA C 63.091 0.20 1 2463 . 252 PRO HA H 4.441 0.08 1 2464 . 252 PRO CB C 32.315 0.20 1 2465 . 252 PRO HB3 H 1.880 0.08 2 2466 . 252 PRO HB2 H 2.271 0.08 2 2467 . 252 PRO CG C 27.538 0.20 1 2468 . 252 PRO HG2 H 1.996 0.08 2 2469 . 252 PRO CD C 50.607 0.20 1 2470 . 252 PRO HD3 H 3.638 0.08 2 2471 . 252 PRO HD2 H 3.771 0.08 2 2472 . 252 PRO C C 177.074 0.05 1 2473 . 253 LEU N N 121.884 0.05 1 2474 . 253 LEU H H 8.314 0.02 1 2475 . 253 LEU CA C 55.408 0.20 1 2476 . 253 LEU HA H 4.361 0.08 1 2477 . 253 LEU CB C 42.302 0.20 1 2478 . 253 LEU HB3 H 1.598 0.08 2 2479 . 253 LEU HB2 H 1.694 0.08 2 2480 . 253 LEU CG C 27.333 0.20 1 2481 . 253 LEU HG H 1.687 0.08 1 2482 . 253 LEU CD1 C 25.268 0.20 1 2483 . 253 LEU HD1 H 0.937 0.08 1 2484 . 253 LEU CD2 C 23.635 0.20 1 2485 . 253 LEU HD2 H 0.883 0.08 2 2486 . 253 LEU C C 177.746 0.05 1 2487 . 254 THR N N 113.706 0.05 1 2488 . 254 THR H H 8.036 0.02 1 2489 . 254 THR CA C 61.656 0.20 1 2490 . 254 THR HA H 4.363 0.08 1 2491 . 254 THR CB C 69.973 0.20 1 2492 . 254 THR HB H 4.250 0.08 1 2493 . 254 THR CG2 C 21.676 0.20 1 2494 . 254 THR HG2 H 1.166 0.08 1 2495 . 254 THR C C 174.521 0.05 1 2496 . 255 ASP N N 122.331 0.05 1 2497 . 255 ASP H H 8.322 0.02 1 2498 . 255 ASP CA C 54.632 0.20 1 2499 . 255 ASP HA H 4.586 0.08 1 2500 . 255 ASP CB C 41.233 0.20 1 2501 . 255 ASP HB3 H 2.656 0.08 2 2502 . 255 ASP HB2 H 2.719 0.08 2 2503 . 255 ASP C C 176.544 0.05 1 2504 . 256 GLN N N 120.433 0.05 1 2505 . 256 GLN H H 8.320 0.02 1 2506 . 256 GLN CA C 56.192 0.20 1 2507 . 256 GLN HA H 4.289 0.08 1 2508 . 256 GLN CB C 29.473 0.20 1 2509 . 256 GLN HB3 H 1.982 0.08 2 2510 . 256 GLN HB2 H 2.182 0.08 2 2511 . 256 GLN CG C 34.075 0.20 1 2512 . 256 GLN HG2 H 2.375 0.08 2 2513 . 256 GLN CD C 180.800 0.20 1 2514 . 256 GLN NE2 N 112.537 0.05 1 2515 . 256 GLN HE21 H 7.498 0.02 1 2516 . 256 GLN HE22 H 6.814 0.02 1 2517 . 256 GLN C C 176.691 0.05 1 2518 . 257 GLY N N 109.377 0.05 1 2519 . 257 GLY H H 8.415 0.02 1 2520 . 257 GLY CA C 45.563 0.20 1 2521 . 257 GLY HA2 H 3.924 0.08 2 2522 . 257 GLY C C 174.389 0.05 1 2523 . 258 ILE N N 119.794 0.05 1 2524 . 258 ILE H H 7.840 0.02 1 2525 . 258 ILE CA C 61.128 0.20 1 2526 . 258 ILE HA H 4.149 0.08 1 2527 . 258 ILE CB C 38.894 0.20 1 2528 . 258 ILE HB H 1.868 0.08 1 2529 . 258 ILE CG1 C 27.413 0.20 1 2530 . 258 ILE HG13 H 1.163 0.08 2 2531 . 258 ILE HG12 H 1.452 0.08 2 2532 . 258 ILE CD1 C 13.191 0.20 1 2533 . 258 ILE HD1 H 0.853 0.08 1 2534 . 258 ILE CG2 C 17.705 0.20 1 2535 . 258 ILE HG2 H 0.903 0.08 1 2536 . 258 ILE C C 176.240 0.05 1 2537 . 259 ALA N N 127.821 0.05 1 2538 . 259 ALA H H 8.276 0.02 1 2539 . 259 ALA CA C 52.486 0.20 1 2540 . 259 ALA HA H 4.299 0.08 1 2541 . 259 ALA CB C 19.497 0.20 1 2542 . 259 ALA HB H 1.392 0.08 1 2543 . 259 ALA C C 177.450 0.05 1 2544 . 260 ALA N N 123.324 0.05 1 2545 . 260 ALA H H 8.116 0.02 1 2546 . 260 ALA CA C 52.331 0.20 1 2547 . 260 ALA HA H 4.276 0.08 1 2548 . 260 ALA CB C 19.311 0.20 1 2549 . 260 ALA HB H 1.375 0.08 1 2550 . 260 ALA C C 177.337 0.05 1 2551 . 261 ALA N N 123.795 0.05 1 2552 . 261 ALA H H 8.147 0.02 1 2553 . 261 ALA CA C 52.362 0.20 1 2554 . 261 ALA HA H 4.329 0.08 1 2555 . 261 ALA CB C 19.409 0.20 1 2556 . 261 ALA HB H 1.383 0.08 1 2557 . 261 ALA C C 176.827 0.05 1 2558 . 262 MET N N 124.899 0.05 1 2559 . 262 MET H H 7.833 0.02 1 2560 . 262 MET CA C 57.048 0.20 1 2561 . 262 MET HA H 4.246 0.08 1 2562 . 262 MET CB C 34.187 0.20 1 2563 . 262 MET HB2 H 1.939 0.08 2 2564 . 262 MET CG C 32.211 0.20 1 2565 . 262 MET HG3 H 2.527 0.08 2 2566 . 262 MET HG2 H 2.619 0.08 2 2567 . 262 MET CE C 17.232 0.20 1 2568 . 262 MET HE H 2.096 0.20 1 2569 . 262 MET C C 181.126 0.05 1 stop_ save_