data_16673 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16673 _Entry.Title ; backbone resonance assignment for the class A beta-lactamase Bacillus licheniformis BS3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-01-13 _Entry.Accession_date 2010-01-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Julie Vandenameele . . . 16673 2 Andre Matagne . . . 16673 3 Christian Damblon . . . 16673 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'Henry Wellcome Laboratories of Structural Biology, University of Leicester' . 16673 . . 'Centre d'Ingenierie des Proteines, University of Liege' . 16673 1 . 'Structural Biological Chemistry, University of Liege' . 16673 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16673 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 781 16673 '15N chemical shifts' 256 16673 '1H chemical shifts' 256 16673 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-10-05 2010-01-13 update BMRB 'Update entry citation' 16673 1 . . 2010-06-28 2010-01-13 original author 'original release' 16673 stop_ save_ ############### # Citations # ############### save_BS3_assignment _Citation.Sf_category citations _Citation.Sf_framecode BS3_assignment _Citation.Entry_ID 16673 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20556551 _Citation.Full_citation . _Citation.Title '1H, 13C and 15N backbone resonance assignments for the BS3 class A -lactamase from Bacillus licheniformis.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 4 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 195 _Citation.Page_last 197 _Citation.Year 2010 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Julie Vandenameele . . . 16673 1 2 Andre Matagne . . . 16673 1 3 Christian Damblon . . . 16673 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16673 _Assembly.ID 1 _Assembly.Name BS3 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 BS3 1 $BS3 A . yes native no no . . . 16673 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1i2s . . X-ray 1.7 'crystal structure of BS3' . 16673 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID beta-lactamase 16673 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BS3 _Entity.Sf_category entity _Entity.Sf_framecode BS3 _Entity.Entry_ID 16673 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name BS3 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; PAMAKTEMKDDFAKLEEQFD AKLGIFALDTGTNRTVTYRP DERFAFASTIKALTVGVLLQ QKSIEDLNQRITYTRDDLVN YNPITEKHVDTGMTLKELAD ASLRYSDNTAQNLILKQIGG PESLKKELRKIGDEVTNPER FEPELNEVNPGETQDTSTAR ALATSLQAFALEDKLPSEKR ELLIDWMKRNTTGDALIRAG VPEGWEVADKTGAGSYGTRN DIAIIWPPKGDPVVLAVLSS RDKKDAKYDDKLIAEATKVV VKALNMNGK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 269 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1I2S . "Beta-Lactamase From Bacillus Licheniformis Bs3" . . . . . 98.51 282 99.62 100.00 0.00e+00 . . . . 16673 1 2 no PDB 1I2W . "Beta-Lactamase From Bacillus Licheniformis Bs3 Complexed With Cefoxitin" . . . . . 98.51 282 99.62 100.00 0.00e+00 . . . . 16673 1 3 no PDB 1W7F . "Crystal Structure Of The Class A Beta-Lactamase Bs3 Inhibited With Isocitrate" . . . . . 98.51 307 100.00 100.00 0.00e+00 . . . . 16673 1 4 no PDB 2BLM . "Beta-Lactamase Of Bacillus Licheniformis 749(Slash)c At 2 Angstroms Resolution" . . . . . 98.51 265 97.36 98.49 0.00e+00 . . . . 16673 1 5 no PDB 2WK0 . "Crystal Structure Of The Class A Beta-Lactamase Bs3 Inhibited By 6-Beta-Iodopenicillanate." . . . . . 98.51 265 100.00 100.00 0.00e+00 . . . . 16673 1 6 no PDB 2X71 . "Structural Basis For The Interaction Of Lactivicins With Serine Beta-Lactamases" . . . . . 98.51 265 100.00 100.00 0.00e+00 . . . . 16673 1 7 no PDB 2Y91 . "Crystal Structure Of Class A Beta-Lactamase From Bacillus Licheniformis Bs3 With Clavulanic Acid" . . . . . 98.51 265 99.62 99.62 0.00e+00 . . . . 16673 1 8 no PDB 3B3X . "Crystal Structure Of Class A Beta-Lactamase Of Bacillus Licheniformis Bs3 With Aminocitrate" . . . . . 98.51 265 100.00 100.00 0.00e+00 . . . . 16673 1 9 no PDB 3LY3 . "Crystal Structure Of Fluorophore-Labeled Class A Beta-Lactamase Penp" . . . . . 96.28 259 96.91 98.07 1.94e-180 . . . . 16673 1 10 no PDB 3SH7 . "Crystal Structure Of Fluorophore-labeled Beta-lactamase Penp" . . . . . 98.51 266 96.98 98.11 0.00e+00 . . . . 16673 1 11 no PDB 3SH8 . "Crystal Structure Of Fluorophore-labeled Beta-lactamase Penp In Complex With Cephaloridine" . . . . . 98.51 266 96.98 98.11 0.00e+00 . . . . 16673 1 12 no PDB 3SH9 . "Crystal Structure Of Fluorophore-labeled Beta-lactamase Penp In Complex With Cefotaxime" . . . . . 98.51 266 96.98 98.11 0.00e+00 . . . . 16673 1 13 no PDB 4A5R . "Crystal Structure Of Class A Beta-Lactamase From Bacillus Licheniformis Bs3 With Tazobactam" . . . . . 98.51 265 100.00 100.00 0.00e+00 . . . . 16673 1 14 no PDB 4BLM . "Beta-Lactamase Of Bacillus Licheniformis 749(Slash)c. Refinement At 2 Angstroms Resolution And Analysis Of Hydration" . . . . . 98.51 265 97.36 98.49 0.00e+00 . . . . 16673 1 15 no PDB 4N92 . "Crystal Structure Of Beta-lactamse Penp_e166s" . . . . . 98.51 268 96.98 98.11 0.00e+00 . . . . 16673 1 16 no PDB 4N9K . "Crystal Structure Of Beta-lactamse Penp_e166s In Complex With Cephaloridine" . . . . . 98.51 268 96.98 98.11 0.00e+00 . . . . 16673 1 17 no PDB 4N9L . "Crystal Structure Of Beta-lactamse Penp_e166s In Complex With Meropenem" . . . . . 98.51 268 96.98 98.11 0.00e+00 . . . . 16673 1 18 no EMBL CAA23431 . "penicillinase [Bacillus licheniformis]" . . . . . 98.51 307 97.36 98.49 0.00e+00 . . . . 16673 1 19 no EMBL CAA71115 . "beta-lactamase [Bacillus licheniformis]" . . . . . 98.51 265 100.00 100.00 0.00e+00 . . . . 16673 1 20 no GB AAU21887 . "beta-lactamase precursor [Bacillus licheniformis DSM 13 = ATCC 14580]" . . . . . 98.51 307 99.25 99.25 0.00e+00 . . . . 16673 1 21 no GB AAU39239 . "beta-lactamase PenP [Bacillus licheniformis DSM 13 = ATCC 14580]" . . . . . 98.51 307 99.25 99.25 0.00e+00 . . . . 16673 1 22 no GB AFC75862 . "beta-lactamase [bacterium enrichment culture clone F7(2012)]" . . . . . 98.51 307 96.98 98.87 0.00e+00 . . . . 16673 1 23 no GB AGN34712 . "beta-lactamase precursor [Bacillus licheniformis 9945A]" . . . . . 98.51 307 96.98 98.11 0.00e+00 . . . . 16673 1 24 no GB AJO16412 . "Beta-lactamase [Bacillus licheniformis]" . . . . . 98.51 325 97.36 98.49 0.00e+00 . . . . 16673 1 25 no PRF 690942A . penicillinase . . . . . 98.51 265 97.36 98.49 0.00e+00 . . . . 16673 1 26 no REF WP_003178584 . "class A beta-lactamase [Bacillus licheniformis]" . . . . . 98.51 307 99.25 99.25 0.00e+00 . . . . 16673 1 27 no REF WP_020449992 . "MULTISPECIES: class A beta-lactamase [Bacillus subtilis group]" . . . . . 98.51 307 96.98 98.11 0.00e+00 . . . . 16673 1 28 no REF WP_023857755 . "MULTISPECIES: class A beta-lactamase [Bacillus]" . . . . . 98.51 307 97.36 98.49 0.00e+00 . . . . 16673 1 29 no REF WP_050792715 . "class A beta-lactamase [Bacillus sp. BT1B_CT2]" . . . . . 91.45 288 100.00 100.00 1.47e-177 . . . . 16673 1 30 no SP P00808 . "RecName: Full=Beta-lactamase; AltName: Full=Penicillinase; Contains: RecName: Full=Large exopenicillinase; Contains: RecName: F" . . . . . 98.51 307 97.36 98.49 0.00e+00 . . . . 16673 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'class A beta-lactamase' 16673 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . PRO . 16673 1 2 . ALA . 16673 1 3 . MET . 16673 1 4 . ALA . 16673 1 5 . LYS . 16673 1 6 . THR . 16673 1 7 . GLU . 16673 1 8 . MET . 16673 1 9 . LYS . 16673 1 10 . ASP . 16673 1 11 . ASP . 16673 1 12 . PHE . 16673 1 13 . ALA . 16673 1 14 . LYS . 16673 1 15 . LEU . 16673 1 16 . GLU . 16673 1 17 . GLU . 16673 1 18 . GLN . 16673 1 19 . PHE . 16673 1 20 . ASP . 16673 1 21 . ALA . 16673 1 22 . LYS . 16673 1 23 . LEU . 16673 1 24 . GLY . 16673 1 25 . ILE . 16673 1 26 . PHE . 16673 1 27 . ALA . 16673 1 28 . LEU . 16673 1 29 . ASP . 16673 1 30 . THR . 16673 1 31 . GLY . 16673 1 32 . THR . 16673 1 33 . ASN . 16673 1 34 . ARG . 16673 1 35 . THR . 16673 1 36 . VAL . 16673 1 37 . THR . 16673 1 38 . TYR . 16673 1 39 . ARG . 16673 1 40 . PRO . 16673 1 41 . ASP . 16673 1 42 . GLU . 16673 1 43 . ARG . 16673 1 44 . PHE . 16673 1 45 . ALA . 16673 1 46 . PHE . 16673 1 47 . ALA . 16673 1 48 . SER . 16673 1 49 . THR . 16673 1 50 . ILE . 16673 1 51 . LYS . 16673 1 52 . ALA . 16673 1 53 . LEU . 16673 1 54 . THR . 16673 1 55 . VAL . 16673 1 56 . GLY . 16673 1 57 . VAL . 16673 1 58 . LEU . 16673 1 59 . LEU . 16673 1 60 . GLN . 16673 1 61 . GLN . 16673 1 62 . LYS . 16673 1 63 . SER . 16673 1 64 . ILE . 16673 1 65 . GLU . 16673 1 66 . ASP . 16673 1 67 . LEU . 16673 1 68 . ASN . 16673 1 69 . GLN . 16673 1 70 . ARG . 16673 1 71 . ILE . 16673 1 72 . THR . 16673 1 73 . TYR . 16673 1 74 . THR . 16673 1 75 . ARG . 16673 1 76 . ASP . 16673 1 77 . ASP . 16673 1 78 . LEU . 16673 1 79 . VAL . 16673 1 80 . ASN . 16673 1 81 . TYR . 16673 1 82 . ASN . 16673 1 83 . PRO . 16673 1 84 . ILE . 16673 1 85 . THR . 16673 1 86 . GLU . 16673 1 87 . LYS . 16673 1 88 . HIS . 16673 1 89 . VAL . 16673 1 90 . ASP . 16673 1 91 . THR . 16673 1 92 . GLY . 16673 1 93 . MET . 16673 1 94 . THR . 16673 1 95 . LEU . 16673 1 96 . LYS . 16673 1 97 . GLU . 16673 1 98 . LEU . 16673 1 99 . ALA . 16673 1 100 . ASP . 16673 1 101 . ALA . 16673 1 102 . SER . 16673 1 103 . LEU . 16673 1 104 . ARG . 16673 1 105 . TYR . 16673 1 106 . SER . 16673 1 107 . ASP . 16673 1 108 . ASN . 16673 1 109 . THR . 16673 1 110 . ALA . 16673 1 111 . GLN . 16673 1 112 . ASN . 16673 1 113 . LEU . 16673 1 114 . ILE . 16673 1 115 . LEU . 16673 1 116 . LYS . 16673 1 117 . GLN . 16673 1 118 . ILE . 16673 1 119 . GLY . 16673 1 120 . GLY . 16673 1 121 . PRO . 16673 1 122 . GLU . 16673 1 123 . SER . 16673 1 124 . LEU . 16673 1 125 . LYS . 16673 1 126 . LYS . 16673 1 127 . GLU . 16673 1 128 . LEU . 16673 1 129 . ARG . 16673 1 130 . LYS . 16673 1 131 . ILE . 16673 1 132 . GLY . 16673 1 133 . ASP . 16673 1 134 . GLU . 16673 1 135 . VAL . 16673 1 136 . THR . 16673 1 137 . ASN . 16673 1 138 . PRO . 16673 1 139 . GLU . 16673 1 140 . ARG . 16673 1 141 . PHE . 16673 1 142 . GLU . 16673 1 143 . PRO . 16673 1 144 . GLU . 16673 1 145 . LEU . 16673 1 146 . ASN . 16673 1 147 . GLU . 16673 1 148 . VAL . 16673 1 149 . ASN . 16673 1 150 . PRO . 16673 1 151 . GLY . 16673 1 152 . GLU . 16673 1 153 . THR . 16673 1 154 . GLN . 16673 1 155 . ASP . 16673 1 156 . THR . 16673 1 157 . SER . 16673 1 158 . THR . 16673 1 159 . ALA . 16673 1 160 . ARG . 16673 1 161 . ALA . 16673 1 162 . LEU . 16673 1 163 . ALA . 16673 1 164 . THR . 16673 1 165 . SER . 16673 1 166 . LEU . 16673 1 167 . GLN . 16673 1 168 . ALA . 16673 1 169 . PHE . 16673 1 170 . ALA . 16673 1 171 . LEU . 16673 1 172 . GLU . 16673 1 173 . ASP . 16673 1 174 . LYS . 16673 1 175 . LEU . 16673 1 176 . PRO . 16673 1 177 . SER . 16673 1 178 . GLU . 16673 1 179 . LYS . 16673 1 180 . ARG . 16673 1 181 . GLU . 16673 1 182 . LEU . 16673 1 183 . LEU . 16673 1 184 . ILE . 16673 1 185 . ASP . 16673 1 186 . TRP . 16673 1 187 . MET . 16673 1 188 . LYS . 16673 1 189 . ARG . 16673 1 190 . ASN . 16673 1 191 . THR . 16673 1 192 . THR . 16673 1 193 . GLY . 16673 1 194 . ASP . 16673 1 195 . ALA . 16673 1 196 . LEU . 16673 1 197 . ILE . 16673 1 198 . ARG . 16673 1 199 . ALA . 16673 1 200 . GLY . 16673 1 201 . VAL . 16673 1 202 . PRO . 16673 1 203 . GLU . 16673 1 204 . GLY . 16673 1 205 . TRP . 16673 1 206 . GLU . 16673 1 207 . VAL . 16673 1 208 . ALA . 16673 1 209 . ASP . 16673 1 210 . LYS . 16673 1 211 . THR . 16673 1 212 . GLY . 16673 1 213 . ALA . 16673 1 214 . GLY . 16673 1 215 . SER . 16673 1 216 . TYR . 16673 1 217 . GLY . 16673 1 218 . THR . 16673 1 219 . ARG . 16673 1 220 . ASN . 16673 1 221 . ASP . 16673 1 222 . ILE . 16673 1 223 . ALA . 16673 1 224 . ILE . 16673 1 225 . ILE . 16673 1 226 . TRP . 16673 1 227 . PRO . 16673 1 228 . PRO . 16673 1 229 . LYS . 16673 1 230 . GLY . 16673 1 231 . ASP . 16673 1 232 . PRO . 16673 1 233 . VAL . 16673 1 234 . VAL . 16673 1 235 . LEU . 16673 1 236 . ALA . 16673 1 237 . VAL . 16673 1 238 . LEU . 16673 1 239 . SER . 16673 1 240 . SER . 16673 1 241 . ARG . 16673 1 242 . ASP . 16673 1 243 . LYS . 16673 1 244 . LYS . 16673 1 245 . ASP . 16673 1 246 . ALA . 16673 1 247 . LYS . 16673 1 248 . TYR . 16673 1 249 . ASP . 16673 1 250 . ASP . 16673 1 251 . LYS . 16673 1 252 . LEU . 16673 1 253 . ILE . 16673 1 254 . ALA . 16673 1 255 . GLU . 16673 1 256 . ALA . 16673 1 257 . THR . 16673 1 258 . LYS . 16673 1 259 . VAL . 16673 1 260 . VAL . 16673 1 261 . VAL . 16673 1 262 . LYS . 16673 1 263 . ALA . 16673 1 264 . LEU . 16673 1 265 . ASN . 16673 1 266 . MET . 16673 1 267 . ASN . 16673 1 268 . GLY . 16673 1 269 . LYS . 16673 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . PRO 1 1 16673 1 . ALA 2 2 16673 1 . MET 3 3 16673 1 . ALA 4 4 16673 1 . LYS 5 5 16673 1 . THR 6 6 16673 1 . GLU 7 7 16673 1 . MET 8 8 16673 1 . LYS 9 9 16673 1 . ASP 10 10 16673 1 . ASP 11 11 16673 1 . PHE 12 12 16673 1 . ALA 13 13 16673 1 . LYS 14 14 16673 1 . LEU 15 15 16673 1 . GLU 16 16 16673 1 . GLU 17 17 16673 1 . GLN 18 18 16673 1 . PHE 19 19 16673 1 . ASP 20 20 16673 1 . ALA 21 21 16673 1 . LYS 22 22 16673 1 . LEU 23 23 16673 1 . GLY 24 24 16673 1 . ILE 25 25 16673 1 . PHE 26 26 16673 1 . ALA 27 27 16673 1 . LEU 28 28 16673 1 . ASP 29 29 16673 1 . THR 30 30 16673 1 . GLY 31 31 16673 1 . THR 32 32 16673 1 . ASN 33 33 16673 1 . ARG 34 34 16673 1 . THR 35 35 16673 1 . VAL 36 36 16673 1 . THR 37 37 16673 1 . TYR 38 38 16673 1 . ARG 39 39 16673 1 . PRO 40 40 16673 1 . ASP 41 41 16673 1 . GLU 42 42 16673 1 . ARG 43 43 16673 1 . PHE 44 44 16673 1 . ALA 45 45 16673 1 . PHE 46 46 16673 1 . ALA 47 47 16673 1 . SER 48 48 16673 1 . THR 49 49 16673 1 . ILE 50 50 16673 1 . LYS 51 51 16673 1 . ALA 52 52 16673 1 . LEU 53 53 16673 1 . THR 54 54 16673 1 . VAL 55 55 16673 1 . GLY 56 56 16673 1 . VAL 57 57 16673 1 . LEU 58 58 16673 1 . LEU 59 59 16673 1 . GLN 60 60 16673 1 . GLN 61 61 16673 1 . LYS 62 62 16673 1 . SER 63 63 16673 1 . ILE 64 64 16673 1 . GLU 65 65 16673 1 . ASP 66 66 16673 1 . LEU 67 67 16673 1 . ASN 68 68 16673 1 . GLN 69 69 16673 1 . ARG 70 70 16673 1 . ILE 71 71 16673 1 . THR 72 72 16673 1 . TYR 73 73 16673 1 . THR 74 74 16673 1 . ARG 75 75 16673 1 . ASP 76 76 16673 1 . ASP 77 77 16673 1 . LEU 78 78 16673 1 . VAL 79 79 16673 1 . ASN 80 80 16673 1 . TYR 81 81 16673 1 . ASN 82 82 16673 1 . PRO 83 83 16673 1 . ILE 84 84 16673 1 . THR 85 85 16673 1 . GLU 86 86 16673 1 . LYS 87 87 16673 1 . HIS 88 88 16673 1 . VAL 89 89 16673 1 . ASP 90 90 16673 1 . THR 91 91 16673 1 . GLY 92 92 16673 1 . MET 93 93 16673 1 . THR 94 94 16673 1 . LEU 95 95 16673 1 . LYS 96 96 16673 1 . GLU 97 97 16673 1 . LEU 98 98 16673 1 . ALA 99 99 16673 1 . ASP 100 100 16673 1 . ALA 101 101 16673 1 . SER 102 102 16673 1 . LEU 103 103 16673 1 . ARG 104 104 16673 1 . TYR 105 105 16673 1 . SER 106 106 16673 1 . ASP 107 107 16673 1 . ASN 108 108 16673 1 . THR 109 109 16673 1 . ALA 110 110 16673 1 . GLN 111 111 16673 1 . ASN 112 112 16673 1 . LEU 113 113 16673 1 . ILE 114 114 16673 1 . LEU 115 115 16673 1 . LYS 116 116 16673 1 . GLN 117 117 16673 1 . ILE 118 118 16673 1 . GLY 119 119 16673 1 . GLY 120 120 16673 1 . PRO 121 121 16673 1 . GLU 122 122 16673 1 . SER 123 123 16673 1 . LEU 124 124 16673 1 . LYS 125 125 16673 1 . LYS 126 126 16673 1 . GLU 127 127 16673 1 . LEU 128 128 16673 1 . ARG 129 129 16673 1 . LYS 130 130 16673 1 . ILE 131 131 16673 1 . GLY 132 132 16673 1 . ASP 133 133 16673 1 . GLU 134 134 16673 1 . VAL 135 135 16673 1 . THR 136 136 16673 1 . ASN 137 137 16673 1 . PRO 138 138 16673 1 . GLU 139 139 16673 1 . ARG 140 140 16673 1 . PHE 141 141 16673 1 . GLU 142 142 16673 1 . PRO 143 143 16673 1 . GLU 144 144 16673 1 . LEU 145 145 16673 1 . ASN 146 146 16673 1 . GLU 147 147 16673 1 . VAL 148 148 16673 1 . ASN 149 149 16673 1 . PRO 150 150 16673 1 . GLY 151 151 16673 1 . GLU 152 152 16673 1 . THR 153 153 16673 1 . GLN 154 154 16673 1 . ASP 155 155 16673 1 . THR 156 156 16673 1 . SER 157 157 16673 1 . THR 158 158 16673 1 . ALA 159 159 16673 1 . ARG 160 160 16673 1 . ALA 161 161 16673 1 . LEU 162 162 16673 1 . ALA 163 163 16673 1 . THR 164 164 16673 1 . SER 165 165 16673 1 . LEU 166 166 16673 1 . GLN 167 167 16673 1 . ALA 168 168 16673 1 . PHE 169 169 16673 1 . ALA 170 170 16673 1 . LEU 171 171 16673 1 . GLU 172 172 16673 1 . ASP 173 173 16673 1 . LYS 174 174 16673 1 . LEU 175 175 16673 1 . PRO 176 176 16673 1 . SER 177 177 16673 1 . GLU 178 178 16673 1 . LYS 179 179 16673 1 . ARG 180 180 16673 1 . GLU 181 181 16673 1 . LEU 182 182 16673 1 . LEU 183 183 16673 1 . ILE 184 184 16673 1 . ASP 185 185 16673 1 . TRP 186 186 16673 1 . MET 187 187 16673 1 . LYS 188 188 16673 1 . ARG 189 189 16673 1 . ASN 190 190 16673 1 . THR 191 191 16673 1 . THR 192 192 16673 1 . GLY 193 193 16673 1 . ASP 194 194 16673 1 . ALA 195 195 16673 1 . LEU 196 196 16673 1 . ILE 197 197 16673 1 . ARG 198 198 16673 1 . ALA 199 199 16673 1 . GLY 200 200 16673 1 . VAL 201 201 16673 1 . PRO 202 202 16673 1 . GLU 203 203 16673 1 . GLY 204 204 16673 1 . TRP 205 205 16673 1 . GLU 206 206 16673 1 . VAL 207 207 16673 1 . ALA 208 208 16673 1 . ASP 209 209 16673 1 . LYS 210 210 16673 1 . THR 211 211 16673 1 . GLY 212 212 16673 1 . ALA 213 213 16673 1 . GLY 214 214 16673 1 . SER 215 215 16673 1 . TYR 216 216 16673 1 . GLY 217 217 16673 1 . THR 218 218 16673 1 . ARG 219 219 16673 1 . ASN 220 220 16673 1 . ASP 221 221 16673 1 . ILE 222 222 16673 1 . ALA 223 223 16673 1 . ILE 224 224 16673 1 . ILE 225 225 16673 1 . TRP 226 226 16673 1 . PRO 227 227 16673 1 . PRO 228 228 16673 1 . LYS 229 229 16673 1 . GLY 230 230 16673 1 . ASP 231 231 16673 1 . PRO 232 232 16673 1 . VAL 233 233 16673 1 . VAL 234 234 16673 1 . LEU 235 235 16673 1 . ALA 236 236 16673 1 . VAL 237 237 16673 1 . LEU 238 238 16673 1 . SER 239 239 16673 1 . SER 240 240 16673 1 . ARG 241 241 16673 1 . ASP 242 242 16673 1 . LYS 243 243 16673 1 . LYS 244 244 16673 1 . ASP 245 245 16673 1 . ALA 246 246 16673 1 . LYS 247 247 16673 1 . TYR 248 248 16673 1 . ASP 249 249 16673 1 . ASP 250 250 16673 1 . LYS 251 251 16673 1 . LEU 252 252 16673 1 . ILE 253 253 16673 1 . ALA 254 254 16673 1 . GLU 255 255 16673 1 . ALA 256 256 16673 1 . THR 257 257 16673 1 . LYS 258 258 16673 1 . VAL 259 259 16673 1 . VAL 260 260 16673 1 . VAL 261 261 16673 1 . LYS 262 262 16673 1 . ALA 263 263 16673 1 . LEU 264 264 16673 1 . ASN 265 265 16673 1 . MET 266 266 16673 1 . ASN 267 267 16673 1 . GLY 268 268 16673 1 . LYS 269 269 16673 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 16673 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $BS3 . 1402 bacteria . 'bacillus licheniformis' 'bacillus licheniformis' . . Bacteria . bacillus licheniformis . . . . . . . . . . . . . . . . . . . . . 16673 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 16673 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $BS3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 DE3' . . . . . . . . . . . . . . . pET22b . . . . . . 16673 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16673 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 BS3 '[U-100% 13C; U-100% 15N]' . . 1 $BS3 . . 0.86 . . mM . . . . 16673 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16673 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16673 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16673 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 16673 1 pressure 1 . atm 16673 1 temperature 308 . K 16673 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16673 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16673 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16673 1 stop_ save_ save_CCPNMR _Software.Sf_category software _Software.Sf_framecode CCPNMR _Software.Entry_ID 16673 _Software.ID 2 _Software.Name CcpNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 16673 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16673 2 'data analysis' 16673 2 'peak picking' 16673 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker _NMR_spectrometer.Entry_ID 16673 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16673 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 Bruker Bruker DRX . 800 . . . 16673 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 16673 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker . . . . . . . . . . . . . . . . 16673 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker . . . . . . . . . . . . . . . . 16673 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker . . . . . . . . . . . . . . . . 16673 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker . . . . . . . . . . . . . . . . 16673 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker . . . . . . . . . . . . . . . . 16673 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker . . . . . . . . . . . . . . . . 16673 1 7 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker . . . . . . . . . . . . . . . . 16673 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16673 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 16673 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16673 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16673 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16673 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16673 1 2 '3D CBCA(CO)NH' . . . 16673 1 3 '3D HNCACB' . . . 16673 1 4 '3D HNCO' . . . 16673 1 5 '3D HNCA' . . . 16673 1 6 '3D HN(CO)CA' . . . 16673 1 7 '3D HN(CA)CO' . . . 16673 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $CCPNMR . . 16673 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 PRO C C 13 176.466 0.000 . 1 . . . . 1 PRO C . 16673 1 2 . 1 1 1 1 PRO CA C 13 65.165 0.000 . 1 . . . . 1 PRO CA . 16673 1 3 . 1 1 1 1 PRO CB C 13 32.125 0.000 . 1 . . . . 1 PRO CB . 16673 1 4 . 1 1 2 2 ALA H H 1 8.383 0.001 . 1 . . . . 2 ALA H . 16673 1 5 . 1 1 2 2 ALA C C 13 177.710 0.000 . 1 . . . . 2 ALA C . 16673 1 6 . 1 1 2 2 ALA CA C 13 52.469 0.000 . 1 . . . . 2 ALA CA . 16673 1 7 . 1 1 2 2 ALA CB C 13 19.240 0.000 . 1 . . . . 2 ALA CB . 16673 1 8 . 1 1 2 2 ALA N N 15 123.974 0.083 . 1 . . . . 2 ALA N . 16673 1 9 . 1 1 3 3 MET H H 1 8.263 0.001 . 1 . . . . 3 MET H . 16673 1 10 . 1 1 3 3 MET C C 13 174.721 0.000 . 1 . . . . 3 MET C . 16673 1 11 . 1 1 3 3 MET CA C 13 55.315 0.000 . 1 . . . . 3 MET CA . 16673 1 12 . 1 1 3 3 MET CB C 13 33.051 0.000 . 1 . . . . 3 MET CB . 16673 1 13 . 1 1 3 3 MET N N 15 120.028 0.008 . 1 . . . . 3 MET N . 16673 1 14 . 1 1 4 4 ALA H H 1 8.288 0.001 . 1 . . . . 4 ALA H . 16673 1 15 . 1 1 4 4 ALA C C 13 177.533 0.000 . 1 . . . . 4 ALA C . 16673 1 16 . 1 1 4 4 ALA CA C 13 52.478 0.000 . 1 . . . . 4 ALA CA . 16673 1 17 . 1 1 4 4 ALA CB C 13 19.399 0.000 . 1 . . . . 4 ALA CB . 16673 1 18 . 1 1 4 4 ALA N N 15 125.389 0.061 . 1 . . . . 4 ALA N . 16673 1 19 . 1 1 5 5 LYS H H 1 8.371 0.002 . 1 . . . . 5 LYS H . 16673 1 20 . 1 1 5 5 LYS C C 13 176.826 0.000 . 1 . . . . 5 LYS C . 16673 1 21 . 1 1 5 5 LYS CA C 13 56.580 0.000 . 1 . . . . 5 LYS CA . 16673 1 22 . 1 1 5 5 LYS CB C 13 32.910 0.000 . 1 . . . . 5 LYS CB . 16673 1 23 . 1 1 5 5 LYS N N 15 121.107 0.002 . 1 . . . . 5 LYS N . 16673 1 24 . 1 1 6 6 THR H H 1 8.135 0.004 . 1 . . . . 6 THR H . 16673 1 25 . 1 1 6 6 THR C C 13 174.552 0.000 . 1 . . . . 6 THR C . 16673 1 26 . 1 1 6 6 THR CA C 13 61.968 0.000 . 1 . . . . 6 THR CA . 16673 1 27 . 1 1 6 6 THR CB C 13 69.684 0.000 . 1 . . . . 6 THR CB . 16673 1 28 . 1 1 6 6 THR N N 15 115.009 0.000 . 1 . . . . 6 THR N . 16673 1 29 . 1 1 7 7 GLU H H 1 8.507 0.002 . 1 . . . . 7 GLU H . 16673 1 30 . 1 1 7 7 GLU C C 13 176.668 0.000 . 1 . . . . 7 GLU C . 16673 1 31 . 1 1 7 7 GLU CA C 13 56.801 0.000 . 1 . . . . 7 GLU CA . 16673 1 32 . 1 1 7 7 GLU CB C 13 30.502 0.000 . 1 . . . . 7 GLU CB . 16673 1 33 . 1 1 7 7 GLU N N 15 123.232 0.009 . 1 . . . . 7 GLU N . 16673 1 34 . 1 1 8 8 MET H H 1 8.549 0.003 . 1 . . . . 8 MET H . 16673 1 35 . 1 1 8 8 MET C C 13 176.286 0.000 . 1 . . . . 8 MET C . 16673 1 36 . 1 1 8 8 MET CA C 13 56.419 0.000 . 1 . . . . 8 MET CA . 16673 1 37 . 1 1 8 8 MET CB C 13 31.620 0.000 . 1 . . . . 8 MET CB . 16673 1 38 . 1 1 8 8 MET N N 15 120.836 0.026 . 1 . . . . 8 MET N . 16673 1 39 . 1 1 9 9 LYS H H 1 8.150 0.003 . 1 . . . . 9 LYS H . 16673 1 40 . 1 1 9 9 LYS C C 13 177.378 0.000 . 1 . . . . 9 LYS C . 16673 1 41 . 1 1 9 9 LYS CA C 13 59.213 0.000 . 1 . . . . 9 LYS CA . 16673 1 42 . 1 1 9 9 LYS CB C 13 32.727 0.000 . 1 . . . . 9 LYS CB . 16673 1 43 . 1 1 9 9 LYS N N 15 119.964 0.000 . 1 . . . . 9 LYS N . 16673 1 44 . 1 1 10 10 ASP H H 1 8.238 0.001 . 1 . . . . 10 ASP H . 16673 1 45 . 1 1 10 10 ASP C C 13 177.781 0.000 . 1 . . . . 10 ASP C . 16673 1 46 . 1 1 10 10 ASP CA C 13 56.299 0.000 . 1 . . . . 10 ASP CA . 16673 1 47 . 1 1 10 10 ASP CB C 13 40.719 0.000 . 1 . . . . 10 ASP CB . 16673 1 48 . 1 1 10 10 ASP N N 15 118.835 0.024 . 1 . . . . 10 ASP N . 16673 1 49 . 1 1 11 11 ASP H H 1 7.898 0.003 . 1 . . . . 11 ASP H . 16673 1 50 . 1 1 11 11 ASP C C 13 179.263 0.000 . 1 . . . . 11 ASP C . 16673 1 51 . 1 1 11 11 ASP CA C 13 57.161 0.000 . 1 . . . . 11 ASP CA . 16673 1 52 . 1 1 11 11 ASP CB C 13 40.877 0.000 . 1 . . . . 11 ASP CB . 16673 1 53 . 1 1 11 11 ASP N N 15 120.125 0.012 . 1 . . . . 11 ASP N . 16673 1 54 . 1 1 12 12 PHE H H 1 7.646 0.002 . 1 . . . . 12 PHE H . 16673 1 55 . 1 1 12 12 PHE C C 13 177.677 0.000 . 1 . . . . 12 PHE C . 16673 1 56 . 1 1 12 12 PHE CA C 13 60.876 0.000 . 1 . . . . 12 PHE CA . 16673 1 57 . 1 1 12 12 PHE CB C 13 35.880 0.000 . 1 . . . . 12 PHE CB . 16673 1 58 . 1 1 12 12 PHE N N 15 118.042 0.029 . 1 . . . . 12 PHE N . 16673 1 59 . 1 1 13 13 ALA H H 1 8.181 0.003 . 1 . . . . 13 ALA H . 16673 1 60 . 1 1 13 13 ALA C C 13 181.260 0.000 . 1 . . . . 13 ALA C . 16673 1 61 . 1 1 13 13 ALA CA C 13 55.413 0.000 . 1 . . . . 13 ALA CA . 16673 1 62 . 1 1 13 13 ALA CB C 13 18.080 0.000 . 1 . . . . 13 ALA CB . 16673 1 63 . 1 1 13 13 ALA N N 15 122.820 0.022 . 1 . . . . 13 ALA N . 16673 1 64 . 1 1 14 14 LYS H H 1 7.992 0.001 . 1 . . . . 14 LYS H . 16673 1 65 . 1 1 14 14 LYS C C 13 179.598 0.000 . 1 . . . . 14 LYS C . 16673 1 66 . 1 1 14 14 LYS CA C 13 59.191 0.000 . 1 . . . . 14 LYS CA . 16673 1 67 . 1 1 14 14 LYS CB C 13 31.902 0.000 . 1 . . . . 14 LYS CB . 16673 1 68 . 1 1 14 14 LYS N N 15 118.182 0.000 . 1 . . . . 14 LYS N . 16673 1 69 . 1 1 15 15 LEU H H 1 7.458 0.002 . 1 . . . . 15 LEU H . 16673 1 70 . 1 1 15 15 LEU C C 13 179.316 0.000 . 1 . . . . 15 LEU C . 16673 1 71 . 1 1 15 15 LEU CA C 13 58.136 0.000 . 1 . . . . 15 LEU CA . 16673 1 72 . 1 1 15 15 LEU CB C 13 41.778 0.000 . 1 . . . . 15 LEU CB . 16673 1 73 . 1 1 15 15 LEU N N 15 120.083 0.025 . 1 . . . . 15 LEU N . 16673 1 74 . 1 1 16 16 GLU H H 1 8.119 0.001 . 1 . . . . 16 GLU H . 16673 1 75 . 1 1 16 16 GLU C C 13 179.574 0.000 . 1 . . . . 16 GLU C . 16673 1 76 . 1 1 16 16 GLU CA C 13 60.951 0.000 . 1 . . . . 16 GLU CA . 16673 1 77 . 1 1 16 16 GLU CB C 13 29.974 0.000 . 1 . . . . 16 GLU CB . 16673 1 78 . 1 1 16 16 GLU N N 15 118.592 0.000 . 1 . . . . 16 GLU N . 16673 1 79 . 1 1 17 17 GLU H H 1 7.830 0.002 . 1 . . . . 17 GLU H . 16673 1 80 . 1 1 17 17 GLU C C 13 179.551 0.000 . 1 . . . . 17 GLU C . 16673 1 81 . 1 1 17 17 GLU CA C 13 58.993 0.000 . 1 . . . . 17 GLU CA . 16673 1 82 . 1 1 17 17 GLU CB C 13 29.934 0.000 . 1 . . . . 17 GLU CB . 16673 1 83 . 1 1 17 17 GLU N N 15 117.363 0.000 . 1 . . . . 17 GLU N . 16673 1 84 . 1 1 18 18 GLN H H 1 8.631 0.002 . 1 . . . . 18 GLN H . 16673 1 85 . 1 1 18 18 GLN C C 13 177.813 0.000 . 1 . . . . 18 GLN C . 16673 1 86 . 1 1 18 18 GLN CA C 13 58.832 0.000 . 1 . . . . 18 GLN CA . 16673 1 87 . 1 1 18 18 GLN CB C 13 28.857 0.000 . 1 . . . . 18 GLN CB . 16673 1 88 . 1 1 18 18 GLN N N 15 119.957 0.030 . 1 . . . . 18 GLN N . 16673 1 89 . 1 1 19 19 PHE H H 1 8.305 0.002 . 1 . . . . 19 PHE H . 16673 1 90 . 1 1 19 19 PHE C C 13 173.985 0.000 . 1 . . . . 19 PHE C . 16673 1 91 . 1 1 19 19 PHE CA C 13 58.665 0.000 . 1 . . . . 19 PHE CA . 16673 1 92 . 1 1 19 19 PHE CB C 13 39.075 0.000 . 1 . . . . 19 PHE CB . 16673 1 93 . 1 1 19 19 PHE N N 15 113.310 0.023 . 1 . . . . 19 PHE N . 16673 1 94 . 1 1 20 20 ASP H H 1 7.852 0.002 . 1 . . . . 20 ASP H . 16673 1 95 . 1 1 20 20 ASP C C 13 175.112 0.000 . 1 . . . . 20 ASP C . 16673 1 96 . 1 1 20 20 ASP CA C 13 54.754 0.000 . 1 . . . . 20 ASP CA . 16673 1 97 . 1 1 20 20 ASP CB C 13 39.199 0.000 . 1 . . . . 20 ASP CB . 16673 1 98 . 1 1 20 20 ASP N N 15 122.604 0.023 . 1 . . . . 20 ASP N . 16673 1 99 . 1 1 21 21 ALA H H 1 8.757 0.002 . 1 . . . . 21 ALA H . 16673 1 100 . 1 1 21 21 ALA C C 13 174.736 0.000 . 1 . . . . 21 ALA C . 16673 1 101 . 1 1 21 21 ALA CA C 13 50.938 0.000 . 1 . . . . 21 ALA CA . 16673 1 102 . 1 1 21 21 ALA CB C 13 24.437 0.000 . 1 . . . . 21 ALA CB . 16673 1 103 . 1 1 21 21 ALA N N 15 122.459 0.023 . 1 . . . . 21 ALA N . 16673 1 104 . 1 1 22 22 LYS H H 1 9.133 0.002 . 1 . . . . 22 LYS H . 16673 1 105 . 1 1 22 22 LYS C C 13 175.323 0.000 . 1 . . . . 22 LYS C . 16673 1 106 . 1 1 22 22 LYS CA C 13 54.722 0.000 . 1 . . . . 22 LYS CA . 16673 1 107 . 1 1 22 22 LYS CB C 13 34.989 0.000 . 1 . . . . 22 LYS CB . 16673 1 108 . 1 1 22 22 LYS N N 15 120.776 0.000 . 1 . . . . 22 LYS N . 16673 1 109 . 1 1 23 23 LEU H H 1 9.959 0.004 . 1 . . . . 23 LEU H . 16673 1 110 . 1 1 23 23 LEU C C 13 174.548 0.000 . 1 . . . . 23 LEU C . 16673 1 111 . 1 1 23 23 LEU CA C 13 53.418 0.000 . 1 . . . . 23 LEU CA . 16673 1 112 . 1 1 23 23 LEU CB C 13 48.739 0.000 . 1 . . . . 23 LEU CB . 16673 1 113 . 1 1 23 23 LEU N N 15 126.424 0.028 . 1 . . . . 23 LEU N . 16673 1 114 . 1 1 24 24 GLY H H 1 8.590 0.002 . 1 . . . . 24 GLY H . 16673 1 115 . 1 1 24 24 GLY C C 13 172.294 0.000 . 1 . . . . 24 GLY C . 16673 1 116 . 1 1 24 24 GLY CA C 13 44.930 0.000 . 1 . . . . 24 GLY CA . 16673 1 117 . 1 1 24 24 GLY N N 15 107.746 0.000 . 1 . . . . 24 GLY N . 16673 1 118 . 1 1 25 25 ILE H H 1 9.580 0.003 . 1 . . . . 25 ILE H . 16673 1 119 . 1 1 25 25 ILE C C 13 175.968 0.000 . 1 . . . . 25 ILE C . 16673 1 120 . 1 1 25 25 ILE CA C 13 58.282 0.000 . 1 . . . . 25 ILE CA . 16673 1 121 . 1 1 25 25 ILE CB C 13 40.958 0.000 . 1 . . . . 25 ILE CB . 16673 1 122 . 1 1 25 25 ILE N N 15 122.341 0.025 . 1 . . . . 25 ILE N . 16673 1 123 . 1 1 26 26 PHE H H 1 8.302 0.004 . 1 . . . . 26 PHE H . 16673 1 124 . 1 1 26 26 PHE C C 13 171.938 0.000 . 1 . . . . 26 PHE C . 16673 1 125 . 1 1 26 26 PHE CA C 13 59.334 0.000 . 1 . . . . 26 PHE CA . 16673 1 126 . 1 1 26 26 PHE CB C 13 41.915 0.000 . 1 . . . . 26 PHE CB . 16673 1 127 . 1 1 26 26 PHE N N 15 125.377 0.014 . 1 . . . . 26 PHE N . 16673 1 128 . 1 1 27 27 ALA H H 1 8.238 0.002 . 1 . . . . 27 ALA H . 16673 1 129 . 1 1 27 27 ALA C C 13 174.286 0.000 . 1 . . . . 27 ALA C . 16673 1 130 . 1 1 27 27 ALA CA C 13 49.114 0.000 . 1 . . . . 27 ALA CA . 16673 1 131 . 1 1 27 27 ALA CB C 13 24.255 0.000 . 1 . . . . 27 ALA CB . 16673 1 132 . 1 1 27 27 ALA N N 15 130.378 0.033 . 1 . . . . 27 ALA N . 16673 1 133 . 1 1 28 28 LEU H H 1 8.804 0.003 . 1 . . . . 28 LEU H . 16673 1 134 . 1 1 28 28 LEU C C 13 174.824 0.000 . 1 . . . . 28 LEU C . 16673 1 135 . 1 1 28 28 LEU CA C 13 53.385 0.000 . 1 . . . . 28 LEU CA . 16673 1 136 . 1 1 28 28 LEU CB C 13 46.521 0.000 . 1 . . . . 28 LEU CB . 16673 1 137 . 1 1 28 28 LEU N N 15 121.629 0.027 . 1 . . . . 28 LEU N . 16673 1 138 . 1 1 29 29 ASP H H 1 8.697 0.003 . 1 . . . . 29 ASP H . 16673 1 139 . 1 1 29 29 ASP C C 13 177.085 0.000 . 1 . . . . 29 ASP C . 16673 1 140 . 1 1 29 29 ASP CA C 13 53.249 0.000 . 1 . . . . 29 ASP CA . 16673 1 141 . 1 1 29 29 ASP CB C 13 41.865 0.000 . 1 . . . . 29 ASP CB . 16673 1 142 . 1 1 29 29 ASP N N 15 125.289 0.029 . 1 . . . . 29 ASP N . 16673 1 143 . 1 1 30 30 THR H H 1 8.224 0.002 . 1 . . . . 30 THR H . 16673 1 144 . 1 1 30 30 THR C C 13 175.831 0.000 . 1 . . . . 30 THR C . 16673 1 145 . 1 1 30 30 THR CA C 13 64.536 0.000 . 1 . . . . 30 THR CA . 16673 1 146 . 1 1 30 30 THR CB C 13 68.940 0.000 . 1 . . . . 30 THR CB . 16673 1 147 . 1 1 30 30 THR N N 15 117.088 0.023 . 1 . . . . 30 THR N . 16673 1 148 . 1 1 31 31 GLY H H 1 8.786 0.002 . 1 . . . . 31 GLY H . 16673 1 149 . 1 1 31 31 GLY C C 13 175.229 0.000 . 1 . . . . 31 GLY C . 16673 1 150 . 1 1 31 31 GLY CA C 13 46.366 0.000 . 1 . . . . 31 GLY CA . 16673 1 151 . 1 1 31 31 GLY N N 15 109.013 0.000 . 1 . . . . 31 GLY N . 16673 1 152 . 1 1 32 32 THR H H 1 7.048 0.004 . 1 . . . . 32 THR H . 16673 1 153 . 1 1 32 32 THR C C 13 175.582 0.000 . 1 . . . . 32 THR C . 16673 1 154 . 1 1 32 32 THR CA C 13 61.453 0.000 . 1 . . . . 32 THR CA . 16673 1 155 . 1 1 32 32 THR CB C 13 71.690 0.000 . 1 . . . . 32 THR CB . 16673 1 156 . 1 1 32 32 THR N N 15 107.096 0.026 . 1 . . . . 32 THR N . 16673 1 157 . 1 1 33 33 ASN H H 1 8.559 0.002 . 1 . . . . 33 ASN H . 16673 1 158 . 1 1 33 33 ASN C C 13 173.985 0.000 . 1 . . . . 33 ASN C . 16673 1 159 . 1 1 33 33 ASN CA C 13 55.328 0.000 . 1 . . . . 33 ASN CA . 16673 1 160 . 1 1 33 33 ASN CB C 13 37.492 0.000 . 1 . . . . 33 ASN CB . 16673 1 161 . 1 1 33 33 ASN N N 15 117.501 0.019 . 1 . . . . 33 ASN N . 16673 1 162 . 1 1 34 34 ARG H H 1 7.574 0.002 . 1 . . . . 34 ARG H . 16673 1 163 . 1 1 34 34 ARG C C 13 175.323 0.000 . 1 . . . . 34 ARG C . 16673 1 164 . 1 1 34 34 ARG CA C 13 57.016 0.000 . 1 . . . . 34 ARG CA . 16673 1 165 . 1 1 34 34 ARG CB C 13 31.614 0.000 . 1 . . . . 34 ARG CB . 16673 1 166 . 1 1 34 34 ARG N N 15 118.794 0.000 . 1 . . . . 34 ARG N . 16673 1 167 . 1 1 35 35 THR H H 1 8.064 0.002 . 1 . . . . 35 THR H . 16673 1 168 . 1 1 35 35 THR C C 13 175.089 0.000 . 1 . . . . 35 THR C . 16673 1 169 . 1 1 35 35 THR CA C 13 58.449 0.000 . 1 . . . . 35 THR CA . 16673 1 170 . 1 1 35 35 THR CB C 13 72.692 0.000 . 1 . . . . 35 THR CB . 16673 1 171 . 1 1 35 35 THR N N 15 110.425 0.000 . 1 . . . . 35 THR N . 16673 1 172 . 1 1 36 36 VAL H H 1 8.339 0.002 . 1 . . . . 36 VAL H . 16673 1 173 . 1 1 36 36 VAL C C 13 174.713 0.000 . 1 . . . . 36 VAL C . 16673 1 174 . 1 1 36 36 VAL CA C 13 61.873 0.000 . 1 . . . . 36 VAL CA . 16673 1 175 . 1 1 36 36 VAL CB C 13 34.742 0.000 . 1 . . . . 36 VAL CB . 16673 1 176 . 1 1 36 36 VAL N N 15 121.178 0.023 . 1 . . . . 36 VAL N . 16673 1 177 . 1 1 37 37 THR H H 1 8.467 0.004 . 1 . . . . 37 THR H . 16673 1 178 . 1 1 37 37 THR C C 13 173.058 0.000 . 1 . . . . 37 THR C . 16673 1 179 . 1 1 37 37 THR CA C 13 58.552 0.000 . 1 . . . . 37 THR CA . 16673 1 180 . 1 1 37 37 THR CB C 13 72.474 0.000 . 1 . . . . 37 THR CB . 16673 1 181 . 1 1 37 37 THR N N 15 113.996 0.015 . 1 . . . . 37 THR N . 16673 1 182 . 1 1 38 38 TYR H H 1 8.419 0.002 . 1 . . . . 38 TYR H . 16673 1 183 . 1 1 38 38 TYR C C 13 172.532 0.000 . 1 . . . . 38 TYR C . 16673 1 184 . 1 1 38 38 TYR CA C 13 60.097 0.000 . 1 . . . . 38 TYR CA . 16673 1 185 . 1 1 38 38 TYR CB C 13 40.610 0.000 . 1 . . . . 38 TYR CB . 16673 1 186 . 1 1 38 38 TYR N N 15 121.209 0.053 . 1 . . . . 38 TYR N . 16673 1 187 . 1 1 39 39 ARG H H 1 8.896 0.002 . 1 . . . . 39 ARG H . 16673 1 188 . 1 1 39 39 ARG C C 13 175.036 0.000 . 1 . . . . 39 ARG C . 16673 1 189 . 1 1 39 39 ARG CA C 13 57.304 0.000 . 1 . . . . 39 ARG CA . 16673 1 190 . 1 1 39 39 ARG CB C 13 28.283 0.000 . 1 . . . . 39 ARG CB . 16673 1 191 . 1 1 39 39 ARG N N 15 122.797 0.000 . 1 . . . . 39 ARG N . 16673 1 192 . 1 1 40 40 PRO C C 13 174.617 0.000 . 1 . . . . 40 PRO C . 16673 1 193 . 1 1 40 40 PRO CA C 13 65.660 0.000 . 1 . . . . 40 PRO CA . 16673 1 194 . 1 1 40 40 PRO CB C 13 32.268 0.000 . 1 . . . . 40 PRO CB . 16673 1 195 . 1 1 41 41 ASP H H 1 8.291 0.002 . 1 . . . . 41 ASP H . 16673 1 196 . 1 1 41 41 ASP C C 13 174.668 0.000 . 1 . . . . 41 ASP C . 16673 1 197 . 1 1 41 41 ASP CA C 13 53.740 0.000 . 1 . . . . 41 ASP CA . 16673 1 198 . 1 1 41 41 ASP CB C 13 42.119 0.000 . 1 . . . . 41 ASP CB . 16673 1 199 . 1 1 41 41 ASP N N 15 113.924 0.030 . 1 . . . . 41 ASP N . 16673 1 200 . 1 1 42 42 GLU H H 1 7.005 0.002 . 1 . . . . 42 GLU H . 16673 1 201 . 1 1 42 42 GLU C C 13 176.161 0.000 . 1 . . . . 42 GLU C . 16673 1 202 . 1 1 42 42 GLU CA C 13 55.695 0.000 . 1 . . . . 42 GLU CA . 16673 1 203 . 1 1 42 42 GLU CB C 13 30.777 0.000 . 1 . . . . 42 GLU CB . 16673 1 204 . 1 1 42 42 GLU N N 15 121.310 0.000 . 1 . . . . 42 GLU N . 16673 1 205 . 1 1 43 43 ARG H H 1 8.500 0.001 . 1 . . . . 43 ARG H . 16673 1 206 . 1 1 43 43 ARG C C 13 176.679 0.000 . 1 . . . . 43 ARG C . 16673 1 207 . 1 1 43 43 ARG CA C 13 56.670 0.000 . 1 . . . . 43 ARG CA . 16673 1 208 . 1 1 43 43 ARG CB C 13 31.677 0.000 . 1 . . . . 43 ARG CB . 16673 1 209 . 1 1 43 43 ARG N N 15 123.592 0.000 . 1 . . . . 43 ARG N . 16673 1 210 . 1 1 44 44 PHE H H 1 8.806 0.002 . 1 . . . . 44 PHE H . 16673 1 211 . 1 1 44 44 PHE C C 13 175.258 0.000 . 1 . . . . 44 PHE C . 16673 1 212 . 1 1 44 44 PHE CA C 13 56.560 0.000 . 1 . . . . 44 PHE CA . 16673 1 213 . 1 1 44 44 PHE CB C 13 43.704 0.000 . 1 . . . . 44 PHE CB . 16673 1 214 . 1 1 44 44 PHE N N 15 118.988 0.031 . 1 . . . . 44 PHE N . 16673 1 215 . 1 1 45 45 ALA H H 1 9.302 0.003 . 1 . . . . 45 ALA H . 16673 1 216 . 1 1 45 45 ALA C C 13 177.324 0.000 . 1 . . . . 45 ALA C . 16673 1 217 . 1 1 45 45 ALA CA C 13 52.835 0.000 . 1 . . . . 45 ALA CA . 16673 1 218 . 1 1 45 45 ALA CB C 13 17.609 0.000 . 1 . . . . 45 ALA CB . 16673 1 219 . 1 1 45 45 ALA N N 15 125.239 0.000 . 1 . . . . 45 ALA N . 16673 1 220 . 1 1 46 46 PHE H H 1 7.122 0.001 . 1 . . . . 46 PHE H . 16673 1 221 . 1 1 46 46 PHE C C 13 178.594 0.000 . 1 . . . . 46 PHE C . 16673 1 222 . 1 1 46 46 PHE CA C 13 56.976 0.000 . 1 . . . . 46 PHE CA . 16673 1 223 . 1 1 46 46 PHE CB C 13 37.824 0.000 . 1 . . . . 46 PHE CB . 16673 1 224 . 1 1 46 46 PHE N N 15 118.178 0.014 . 1 . . . . 46 PHE N . 16673 1 225 . 1 1 47 47 ALA H H 1 10.354 0.005 . 1 . . . . 47 ALA H . 16673 1 226 . 1 1 47 47 ALA C C 13 177.989 0.000 . 1 . . . . 47 ALA C . 16673 1 227 . 1 1 47 47 ALA CA C 13 53.160 0.000 . 1 . . . . 47 ALA CA . 16673 1 228 . 1 1 47 47 ALA CB C 13 17.768 0.000 . 1 . . . . 47 ALA CB . 16673 1 229 . 1 1 47 47 ALA N N 15 132.641 0.040 . 1 . . . . 47 ALA N . 16673 1 230 . 1 1 48 48 SER H H 1 7.392 0.001 . 1 . . . . 48 SER H . 16673 1 231 . 1 1 48 48 SER C C 13 176.468 0.000 . 1 . . . . 48 SER C . 16673 1 232 . 1 1 48 48 SER N N 15 112.007 0.033 . 1 . . . . 48 SER N . 16673 1 233 . 1 1 49 49 THR H H 1 7.740 0.001 . 1 . . . . 49 THR H . 16673 1 234 . 1 1 49 49 THR C C 13 176.967 0.000 . 1 . . . . 49 THR C . 16673 1 235 . 1 1 49 49 THR CA C 13 66.244 0.000 . 1 . . . . 49 THR CA . 16673 1 236 . 1 1 49 49 THR CB C 13 67.675 0.000 . 1 . . . . 49 THR CB . 16673 1 237 . 1 1 49 49 THR N N 15 114.117 0.031 . 1 . . . . 49 THR N . 16673 1 238 . 1 1 50 50 ILE H H 1 6.970 0.002 . 1 . . . . 50 ILE H . 16673 1 239 . 1 1 50 50 ILE C C 13 178.021 0.000 . 1 . . . . 50 ILE C . 16673 1 240 . 1 1 50 50 ILE CA C 13 57.942 0.000 . 1 . . . . 50 ILE CA . 16673 1 241 . 1 1 50 50 ILE CB C 13 38.800 0.000 . 1 . . . . 50 ILE CB . 16673 1 242 . 1 1 50 50 ILE N N 15 118.176 0.026 . 1 . . . . 50 ILE N . 16673 1 243 . 1 1 51 51 LYS H H 1 8.157 0.002 . 1 . . . . 51 LYS H . 16673 1 244 . 1 1 51 51 LYS C C 13 179.291 0.000 . 1 . . . . 51 LYS C . 16673 1 245 . 1 1 51 51 LYS CA C 13 59.597 0.000 . 1 . . . . 51 LYS CA . 16673 1 246 . 1 1 51 51 LYS CB C 13 31.987 0.000 . 1 . . . . 51 LYS CB . 16673 1 247 . 1 1 51 51 LYS N N 15 125.973 0.021 . 1 . . . . 51 LYS N . 16673 1 248 . 1 1 52 52 ALA H H 1 7.151 0.002 . 1 . . . . 52 ALA H . 16673 1 249 . 1 1 52 52 ALA C C 13 177.184 0.000 . 1 . . . . 52 ALA C . 16673 1 250 . 1 1 52 52 ALA CA C 13 55.153 0.000 . 1 . . . . 52 ALA CA . 16673 1 251 . 1 1 52 52 ALA CB C 13 17.859 0.000 . 1 . . . . 52 ALA CB . 16673 1 252 . 1 1 52 52 ALA N N 15 118.028 0.000 . 1 . . . . 52 ALA N . 16673 1 253 . 1 1 53 53 LEU H H 1 6.037 0.002 . 1 . . . . 53 LEU H . 16673 1 254 . 1 1 53 53 LEU C C 13 176.898 0.000 . 1 . . . . 53 LEU C . 16673 1 255 . 1 1 53 53 LEU CA C 13 56.992 0.000 . 1 . . . . 53 LEU CA . 16673 1 256 . 1 1 53 53 LEU CB C 13 40.406 0.000 . 1 . . . . 53 LEU CB . 16673 1 257 . 1 1 53 53 LEU N N 15 113.364 0.021 . 1 . . . . 53 LEU N . 16673 1 258 . 1 1 54 54 THR H H 1 7.862 0.002 . 1 . . . . 54 THR H . 16673 1 259 . 1 1 54 54 THR C C 13 175.470 0.000 . 1 . . . . 54 THR C . 16673 1 260 . 1 1 54 54 THR CA C 13 67.059 0.000 . 1 . . . . 54 THR CA . 16673 1 261 . 1 1 54 54 THR CB C 13 68.125 0.000 . 1 . . . . 54 THR CB . 16673 1 262 . 1 1 54 54 THR N N 15 113.282 0.035 . 1 . . . . 54 THR N . 16673 1 263 . 1 1 55 55 VAL H H 1 7.182 0.002 . 1 . . . . 55 VAL H . 16673 1 264 . 1 1 55 55 VAL C C 13 176.576 0.000 . 1 . . . . 55 VAL C . 16673 1 265 . 1 1 55 55 VAL CA C 13 66.845 0.000 . 1 . . . . 55 VAL CA . 16673 1 266 . 1 1 55 55 VAL CB C 13 30.923 0.000 . 1 . . . . 55 VAL CB . 16673 1 267 . 1 1 55 55 VAL N N 15 119.486 0.000 . 1 . . . . 55 VAL N . 16673 1 268 . 1 1 56 56 GLY H H 1 7.389 0.002 . 1 . . . . 56 GLY H . 16673 1 269 . 1 1 56 56 GLY C C 13 173.202 0.000 . 1 . . . . 56 GLY C . 16673 1 270 . 1 1 56 56 GLY CA C 13 47.409 0.000 . 1 . . . . 56 GLY CA . 16673 1 271 . 1 1 56 56 GLY N N 15 106.964 0.000 . 1 . . . . 56 GLY N . 16673 1 272 . 1 1 57 57 VAL H H 1 7.036 0.002 . 1 . . . . 57 VAL H . 16673 1 273 . 1 1 57 57 VAL C C 13 177.863 0.000 . 1 . . . . 57 VAL C . 16673 1 274 . 1 1 57 57 VAL CA C 13 66.370 0.000 . 1 . . . . 57 VAL CA . 16673 1 275 . 1 1 57 57 VAL CB C 13 31.129 0.000 . 1 . . . . 57 VAL CB . 16673 1 276 . 1 1 57 57 VAL N N 15 119.317 0.031 . 1 . . . . 57 VAL N . 16673 1 277 . 1 1 58 58 LEU H H 1 8.034 0.002 . 1 . . . . 58 LEU H . 16673 1 278 . 1 1 58 58 LEU C C 13 178.096 0.000 . 1 . . . . 58 LEU C . 16673 1 279 . 1 1 58 58 LEU CA C 13 58.846 0.000 . 1 . . . . 58 LEU CA . 16673 1 280 . 1 1 58 58 LEU CB C 13 41.672 0.000 . 1 . . . . 58 LEU CB . 16673 1 281 . 1 1 58 58 LEU N N 15 121.264 0.000 . 1 . . . . 58 LEU N . 16673 1 282 . 1 1 59 59 LEU H H 1 8.505 0.002 . 1 . . . . 59 LEU H . 16673 1 283 . 1 1 59 59 LEU C C 13 177.295 0.000 . 1 . . . . 59 LEU C . 16673 1 284 . 1 1 59 59 LEU CA C 13 56.689 0.000 . 1 . . . . 59 LEU CA . 16673 1 285 . 1 1 59 59 LEU CB C 13 41.759 0.000 . 1 . . . . 59 LEU CB . 16673 1 286 . 1 1 59 59 LEU N N 15 114.753 0.032 . 1 . . . . 59 LEU N . 16673 1 287 . 1 1 60 60 GLN H H 1 7.874 0.002 . 1 . . . . 60 GLN H . 16673 1 288 . 1 1 60 60 GLN C C 13 178.492 0.000 . 1 . . . . 60 GLN C . 16673 1 289 . 1 1 60 60 GLN CA C 13 58.807 0.000 . 1 . . . . 60 GLN CA . 16673 1 290 . 1 1 60 60 GLN CB C 13 29.910 0.000 . 1 . . . . 60 GLN CB . 16673 1 291 . 1 1 60 60 GLN N N 15 117.797 0.033 . 1 . . . . 60 GLN N . 16673 1 292 . 1 1 61 61 GLN H H 1 7.714 0.002 . 1 . . . . 61 GLN H . 16673 1 293 . 1 1 61 61 GLN C C 13 176.257 0.000 . 1 . . . . 61 GLN C . 16673 1 294 . 1 1 61 61 GLN CA C 13 57.247 0.000 . 1 . . . . 61 GLN CA . 16673 1 295 . 1 1 61 61 GLN CB C 13 30.175 0.000 . 1 . . . . 61 GLN CB . 16673 1 296 . 1 1 61 61 GLN N N 15 114.858 0.016 . 1 . . . . 61 GLN N . 16673 1 297 . 1 1 62 62 LYS H H 1 7.775 0.002 . 1 . . . . 62 LYS H . 16673 1 298 . 1 1 62 62 LYS C C 13 175.873 0.000 . 1 . . . . 62 LYS C . 16673 1 299 . 1 1 62 62 LYS CA C 13 53.140 0.000 . 1 . . . . 62 LYS CA . 16673 1 300 . 1 1 62 62 LYS CB C 13 34.473 0.000 . 1 . . . . 62 LYS CB . 16673 1 301 . 1 1 62 62 LYS N N 15 118.851 0.021 . 1 . . . . 62 LYS N . 16673 1 302 . 1 1 63 63 SER H H 1 9.125 0.002 . 1 . . . . 63 SER H . 16673 1 303 . 1 1 63 63 SER C C 13 174.723 0.000 . 1 . . . . 63 SER C . 16673 1 304 . 1 1 63 63 SER CA C 13 57.011 0.000 . 1 . . . . 63 SER CA . 16673 1 305 . 1 1 63 63 SER CB C 13 65.016 0.000 . 1 . . . . 63 SER CB . 16673 1 306 . 1 1 63 63 SER N N 15 117.067 0.025 . 1 . . . . 63 SER N . 16673 1 307 . 1 1 64 64 ILE H H 1 8.709 0.002 . 1 . . . . 64 ILE H . 16673 1 308 . 1 1 64 64 ILE C C 13 179.658 0.000 . 1 . . . . 64 ILE C . 16673 1 309 . 1 1 64 64 ILE CA C 13 64.882 0.000 . 1 . . . . 64 ILE CA . 16673 1 310 . 1 1 64 64 ILE CB C 13 36.421 0.000 . 1 . . . . 64 ILE CB . 16673 1 311 . 1 1 64 64 ILE N N 15 119.608 0.025 . 1 . . . . 64 ILE N . 16673 1 312 . 1 1 65 65 GLU H H 1 8.584 0.002 . 1 . . . . 65 GLU H . 16673 1 313 . 1 1 65 65 GLU C C 13 179.783 0.000 . 1 . . . . 65 GLU C . 16673 1 314 . 1 1 65 65 GLU CA C 13 59.765 0.000 . 1 . . . . 65 GLU CA . 16673 1 315 . 1 1 65 65 GLU CB C 13 28.880 0.000 . 1 . . . . 65 GLU CB . 16673 1 316 . 1 1 65 65 GLU N N 15 120.883 0.000 . 1 . . . . 65 GLU N . 16673 1 317 . 1 1 66 66 ASP H H 1 8.142 0.002 . 1 . . . . 66 ASP H . 16673 1 318 . 1 1 66 66 ASP C C 13 178.760 0.000 . 1 . . . . 66 ASP C . 16673 1 319 . 1 1 66 66 ASP CA C 13 56.665 0.000 . 1 . . . . 66 ASP CA . 16673 1 320 . 1 1 66 66 ASP CB C 13 40.896 0.000 . 1 . . . . 66 ASP CB . 16673 1 321 . 1 1 66 66 ASP N N 15 121.373 0.033 . 1 . . . . 66 ASP N . 16673 1 322 . 1 1 67 67 LEU H H 1 7.731 0.002 . 1 . . . . 67 LEU H . 16673 1 323 . 1 1 67 67 LEU C C 13 176.216 0.000 . 1 . . . . 67 LEU C . 16673 1 324 . 1 1 67 67 LEU CA C 13 56.043 0.000 . 1 . . . . 67 LEU CA . 16673 1 325 . 1 1 67 67 LEU CB C 13 40.936 0.000 . 1 . . . . 67 LEU CB . 16673 1 326 . 1 1 67 67 LEU N N 15 116.793 0.000 . 1 . . . . 67 LEU N . 16673 1 327 . 1 1 68 68 ASN H H 1 7.678 0.002 . 1 . . . . 68 ASN H . 16673 1 328 . 1 1 68 68 ASN C C 13 174.458 0.000 . 1 . . . . 68 ASN C . 16673 1 329 . 1 1 68 68 ASN CA C 13 53.207 0.000 . 1 . . . . 68 ASN CA . 16673 1 330 . 1 1 68 68 ASN CB C 13 38.347 0.000 . 1 . . . . 68 ASN CB . 16673 1 331 . 1 1 68 68 ASN N N 15 114.485 0.059 . 1 . . . . 68 ASN N . 16673 1 332 . 1 1 69 69 GLN H H 1 7.502 0.002 . 1 . . . . 69 GLN H . 16673 1 333 . 1 1 69 69 GLN C C 13 174.612 0.000 . 1 . . . . 69 GLN C . 16673 1 334 . 1 1 69 69 GLN CA C 13 56.784 0.000 . 1 . . . . 69 GLN CA . 16673 1 335 . 1 1 69 69 GLN CB C 13 29.053 0.000 . 1 . . . . 69 GLN CB . 16673 1 336 . 1 1 69 69 GLN N N 15 120.369 0.000 . 1 . . . . 69 GLN N . 16673 1 337 . 1 1 70 70 ARG H H 1 8.554 0.002 . 1 . . . . 70 ARG H . 16673 1 338 . 1 1 70 70 ARG C C 13 174.751 0.000 . 1 . . . . 70 ARG C . 16673 1 339 . 1 1 70 70 ARG CA C 13 56.875 0.000 . 1 . . . . 70 ARG CA . 16673 1 340 . 1 1 70 70 ARG CB C 13 31.100 0.000 . 1 . . . . 70 ARG CB . 16673 1 341 . 1 1 70 70 ARG N N 15 124.976 0.000 . 1 . . . . 70 ARG N . 16673 1 342 . 1 1 71 71 ILE H H 1 9.235 0.003 . 1 . . . . 71 ILE H . 16673 1 343 . 1 1 71 71 ILE C C 13 175.387 0.000 . 1 . . . . 71 ILE C . 16673 1 344 . 1 1 71 71 ILE CA C 13 58.355 0.000 . 1 . . . . 71 ILE CA . 16673 1 345 . 1 1 71 71 ILE CB C 13 37.044 0.000 . 1 . . . . 71 ILE CB . 16673 1 346 . 1 1 71 71 ILE N N 15 130.335 0.030 . 1 . . . . 71 ILE N . 16673 1 347 . 1 1 72 72 THR H H 1 8.225 0.003 . 1 . . . . 72 THR H . 16673 1 348 . 1 1 72 72 THR C C 13 173.313 0.000 . 1 . . . . 72 THR C . 16673 1 349 . 1 1 72 72 THR CA C 13 60.701 0.000 . 1 . . . . 72 THR CA . 16673 1 350 . 1 1 72 72 THR CB C 13 69.897 0.000 . 1 . . . . 72 THR CB . 16673 1 351 . 1 1 72 72 THR N N 15 118.268 0.000 . 1 . . . . 72 THR N . 16673 1 352 . 1 1 73 73 TYR H H 1 8.303 0.003 . 1 . . . . 73 TYR H . 16673 1 353 . 1 1 73 73 TYR C C 13 172.898 0.000 . 1 . . . . 73 TYR C . 16673 1 354 . 1 1 73 73 TYR CA C 13 55.758 0.000 . 1 . . . . 73 TYR CA . 16673 1 355 . 1 1 73 73 TYR CB C 13 38.499 0.000 . 1 . . . . 73 TYR CB . 16673 1 356 . 1 1 73 73 TYR N N 15 120.509 0.000 . 1 . . . . 73 TYR N . 16673 1 357 . 1 1 74 74 THR H H 1 9.390 0.001 . 1 . . . . 74 THR H . 16673 1 358 . 1 1 74 74 THR C C 13 176.659 0.000 . 1 . . . . 74 THR C . 16673 1 359 . 1 1 74 74 THR CA C 13 59.816 0.000 . 1 . . . . 74 THR CA . 16673 1 360 . 1 1 74 74 THR CB C 13 73.158 0.000 . 1 . . . . 74 THR CB . 16673 1 361 . 1 1 74 74 THR N N 15 108.984 0.000 . 1 . . . . 74 THR N . 16673 1 362 . 1 1 75 75 ARG H H 1 9.074 0.002 . 1 . . . . 75 ARG H . 16673 1 363 . 1 1 75 75 ARG C C 13 178.317 0.000 . 1 . . . . 75 ARG C . 16673 1 364 . 1 1 75 75 ARG CA C 13 59.540 0.000 . 1 . . . . 75 ARG CA . 16673 1 365 . 1 1 75 75 ARG CB C 13 29.173 0.000 . 1 . . . . 75 ARG CB . 16673 1 366 . 1 1 75 75 ARG N N 15 119.037 0.028 . 1 . . . . 75 ARG N . 16673 1 367 . 1 1 76 76 ASP H H 1 7.910 0.004 . 1 . . . . 76 ASP H . 16673 1 368 . 1 1 76 76 ASP C C 13 176.603 0.000 . 1 . . . . 76 ASP C . 16673 1 369 . 1 1 76 76 ASP CA C 13 56.043 0.000 . 1 . . . . 76 ASP CA . 16673 1 370 . 1 1 76 76 ASP CB C 13 40.639 0.000 . 1 . . . . 76 ASP CB . 16673 1 371 . 1 1 76 76 ASP N N 15 117.305 0.000 . 1 . . . . 76 ASP N . 16673 1 372 . 1 1 77 77 ASP H H 1 7.781 0.002 . 1 . . . . 77 ASP H . 16673 1 373 . 1 1 77 77 ASP C C 13 175.385 0.000 . 1 . . . . 77 ASP C . 16673 1 374 . 1 1 77 77 ASP CA C 13 55.799 0.000 . 1 . . . . 77 ASP CA . 16673 1 375 . 1 1 77 77 ASP CB C 13 42.767 0.000 . 1 . . . . 77 ASP CB . 16673 1 376 . 1 1 77 77 ASP N N 15 116.940 0.028 . 1 . . . . 77 ASP N . 16673 1 377 . 1 1 78 78 LEU H H 1 7.021 0.002 . 1 . . . . 78 LEU H . 16673 1 378 . 1 1 78 78 LEU C C 13 178.730 0.000 . 1 . . . . 78 LEU C . 16673 1 379 . 1 1 78 78 LEU CA C 13 55.018 0.000 . 1 . . . . 78 LEU CA . 16673 1 380 . 1 1 78 78 LEU CB C 13 41.147 0.000 . 1 . . . . 78 LEU CB . 16673 1 381 . 1 1 78 78 LEU N N 15 116.523 0.064 . 1 . . . . 78 LEU N . 16673 1 382 . 1 1 79 79 VAL H H 1 7.270 0.003 . 1 . . . . 79 VAL H . 16673 1 383 . 1 1 79 79 VAL C C 13 176.014 0.000 . 1 . . . . 79 VAL C . 16673 1 384 . 1 1 79 79 VAL CA C 13 59.230 0.000 . 1 . . . . 79 VAL CA . 16673 1 385 . 1 1 79 79 VAL CB C 13 30.279 0.000 . 1 . . . . 79 VAL CB . 16673 1 386 . 1 1 79 79 VAL N N 15 113.925 0.020 . 1 . . . . 79 VAL N . 16673 1 387 . 1 1 80 80 ASN H H 1 8.497 0.003 . 1 . . . . 80 ASN H . 16673 1 388 . 1 1 80 80 ASN C C 13 174.585 0.000 . 1 . . . . 80 ASN C . 16673 1 389 . 1 1 80 80 ASN CA C 13 55.267 0.000 . 1 . . . . 80 ASN CA . 16673 1 390 . 1 1 80 80 ASN CB C 13 38.209 0.000 . 1 . . . . 80 ASN CB . 16673 1 391 . 1 1 80 80 ASN N N 15 120.079 0.000 . 1 . . . . 80 ASN N . 16673 1 392 . 1 1 81 81 TYR H H 1 6.865 0.003 . 1 . . . . 81 TYR H . 16673 1 393 . 1 1 81 81 TYR C C 13 172.115 0.000 . 1 . . . . 81 TYR C . 16673 1 394 . 1 1 81 81 TYR CA C 13 59.802 0.000 . 1 . . . . 81 TYR CA . 16673 1 395 . 1 1 81 81 TYR CB C 13 38.383 0.000 . 1 . . . . 81 TYR CB . 16673 1 396 . 1 1 81 81 TYR N N 15 121.593 0.022 . 1 . . . . 81 TYR N . 16673 1 397 . 1 1 82 82 ASN H H 1 8.844 0.002 . 1 . . . . 82 ASN H . 16673 1 398 . 1 1 82 82 ASN C C 13 172.317 0.000 . 1 . . . . 82 ASN C . 16673 1 399 . 1 1 82 82 ASN CA C 13 50.043 0.000 . 1 . . . . 82 ASN CA . 16673 1 400 . 1 1 82 82 ASN CB C 13 41.158 0.000 . 1 . . . . 82 ASN CB . 16673 1 401 . 1 1 82 82 ASN N N 15 126.202 0.087 . 1 . . . . 82 ASN N . 16673 1 402 . 1 1 83 83 PRO C C 13 176.631 0.000 . 1 . . . . 83 PRO C . 16673 1 403 . 1 1 83 83 PRO CA C 13 64.836 0.000 . 1 . . . . 83 PRO CA . 16673 1 404 . 1 1 83 83 PRO CB C 13 30.946 0.000 . 1 . . . . 83 PRO CB . 16673 1 405 . 1 1 84 84 ILE H H 1 8.286 0.003 . 1 . . . . 84 ILE H . 16673 1 406 . 1 1 84 84 ILE C C 13 179.009 0.000 . 1 . . . . 84 ILE C . 16673 1 407 . 1 1 84 84 ILE CA C 13 59.936 0.000 . 1 . . . . 84 ILE CA . 16673 1 408 . 1 1 84 84 ILE CB C 13 37.285 0.000 . 1 . . . . 84 ILE CB . 16673 1 409 . 1 1 84 84 ILE N N 15 115.017 0.022 . 1 . . . . 84 ILE N . 16673 1 410 . 1 1 85 85 THR H H 1 9.262 0.002 . 1 . . . . 85 THR H . 16673 1 411 . 1 1 85 85 THR C C 13 181.387 0.000 . 1 . . . . 85 THR C . 16673 1 412 . 1 1 85 85 THR CA C 13 64.120 0.000 . 1 . . . . 85 THR CA . 16673 1 413 . 1 1 85 85 THR CB C 13 69.852 0.000 . 1 . . . . 85 THR CB . 16673 1 414 . 1 1 85 85 THR N N 15 112.708 0.031 . 1 . . . . 85 THR N . 16673 1 415 . 1 1 86 86 GLU H H 1 8.231 0.003 . 1 . . . . 86 GLU H . 16673 1 416 . 1 1 86 86 GLU C C 13 176.603 0.000 . 1 . . . . 86 GLU C . 16673 1 417 . 1 1 86 86 GLU CA C 13 59.246 0.000 . 1 . . . . 86 GLU CA . 16673 1 418 . 1 1 86 86 GLU CB C 13 28.416 0.000 . 1 . . . . 86 GLU CB . 16673 1 419 . 1 1 86 86 GLU N N 15 120.310 0.000 . 1 . . . . 86 GLU N . 16673 1 420 . 1 1 87 87 LYS H H 1 7.368 0.001 . 1 . . . . 87 LYS H . 16673 1 421 . 1 1 87 87 LYS C C 13 177.267 0.000 . 1 . . . . 87 LYS C . 16673 1 422 . 1 1 87 87 LYS CA C 13 56.817 0.000 . 1 . . . . 87 LYS CA . 16673 1 423 . 1 1 87 87 LYS CB C 13 32.048 0.000 . 1 . . . . 87 LYS CB . 16673 1 424 . 1 1 87 87 LYS N N 15 115.617 0.030 . 1 . . . . 87 LYS N . 16673 1 425 . 1 1 88 88 HIS H H 1 6.839 0.002 . 1 . . . . 88 HIS H . 16673 1 426 . 1 1 88 88 HIS C C 13 174.087 0.000 . 1 . . . . 88 HIS C . 16673 1 427 . 1 1 88 88 HIS CA C 13 55.170 0.000 . 1 . . . . 88 HIS CA . 16673 1 428 . 1 1 88 88 HIS CB C 13 29.711 0.000 . 1 . . . . 88 HIS CB . 16673 1 429 . 1 1 88 88 HIS N N 15 114.043 0.000 . 1 . . . . 88 HIS N . 16673 1 430 . 1 1 89 89 VAL H H 1 7.105 0.002 . 1 . . . . 89 VAL H . 16673 1 431 . 1 1 89 89 VAL C C 13 175.853 0.000 . 1 . . . . 89 VAL C . 16673 1 432 . 1 1 89 89 VAL CA C 13 64.608 0.000 . 1 . . . . 89 VAL CA . 16673 1 433 . 1 1 89 89 VAL CB C 13 31.958 0.000 . 1 . . . . 89 VAL CB . 16673 1 434 . 1 1 89 89 VAL N N 15 119.516 0.011 . 1 . . . . 89 VAL N . 16673 1 435 . 1 1 90 90 ASP H H 1 8.330 0.002 . 1 . . . . 90 ASP H . 16673 1 436 . 1 1 90 90 ASP C C 13 177.582 0.000 . 1 . . . . 90 ASP C . 16673 1 437 . 1 1 90 90 ASP CA C 13 56.522 0.000 . 1 . . . . 90 ASP CA . 16673 1 438 . 1 1 90 90 ASP CB C 13 40.383 0.000 . 1 . . . . 90 ASP CB . 16673 1 439 . 1 1 90 90 ASP N N 15 115.416 0.018 . 1 . . . . 90 ASP N . 16673 1 440 . 1 1 91 91 THR H H 1 7.489 0.002 . 1 . . . . 91 THR H . 16673 1 441 . 1 1 91 91 THR C C 13 176.798 0.000 . 1 . . . . 91 THR C . 16673 1 442 . 1 1 91 91 THR CA C 13 62.291 0.000 . 1 . . . . 91 THR CA . 16673 1 443 . 1 1 91 91 THR CB C 13 70.741 0.000 . 1 . . . . 91 THR CB . 16673 1 444 . 1 1 91 91 THR N N 15 107.923 0.000 . 1 . . . . 91 THR N . 16673 1 445 . 1 1 92 92 GLY H H 1 8.186 0.002 . 1 . . . . 92 GLY H . 16673 1 446 . 1 1 92 92 GLY C C 13 172.808 0.000 . 1 . . . . 92 GLY C . 16673 1 447 . 1 1 92 92 GLY CA C 13 45.435 0.000 . 1 . . . . 92 GLY CA . 16673 1 448 . 1 1 92 92 GLY N N 15 112.834 0.022 . 1 . . . . 92 GLY N . 16673 1 449 . 1 1 93 93 MET H H 1 8.421 0.002 . 1 . . . . 93 MET H . 16673 1 450 . 1 1 93 93 MET C C 13 175.191 0.000 . 1 . . . . 93 MET C . 16673 1 451 . 1 1 93 93 MET CA C 13 55.151 0.000 . 1 . . . . 93 MET CA . 16673 1 452 . 1 1 93 93 MET CB C 13 40.032 0.000 . 1 . . . . 93 MET CB . 16673 1 453 . 1 1 93 93 MET N N 15 115.279 0.023 . 1 . . . . 93 MET N . 16673 1 454 . 1 1 94 94 THR H H 1 9.223 0.002 . 1 . . . . 94 THR H . 16673 1 455 . 1 1 94 94 THR C C 13 175.995 0.000 . 1 . . . . 94 THR C . 16673 1 456 . 1 1 94 94 THR CA C 13 60.605 0.000 . 1 . . . . 94 THR CA . 16673 1 457 . 1 1 94 94 THR CB C 13 70.520 0.000 . 1 . . . . 94 THR CB . 16673 1 458 . 1 1 94 94 THR N N 15 112.828 0.003 . 1 . . . . 94 THR N . 16673 1 459 . 1 1 95 95 LEU H H 1 7.936 0.002 . 1 . . . . 95 LEU H . 16673 1 460 . 1 1 95 95 LEU C C 13 178.235 0.000 . 1 . . . . 95 LEU C . 16673 1 461 . 1 1 95 95 LEU CA C 13 58.666 0.000 . 1 . . . . 95 LEU CA . 16673 1 462 . 1 1 95 95 LEU CB C 13 42.470 0.000 . 1 . . . . 95 LEU CB . 16673 1 463 . 1 1 95 95 LEU N N 15 120.310 0.000 . 1 . . . . 95 LEU N . 16673 1 464 . 1 1 96 96 LYS H H 1 8.618 0.002 . 1 . . . . 96 LYS H . 16673 1 465 . 1 1 96 96 LYS C C 13 177.619 0.000 . 1 . . . . 96 LYS C . 16673 1 466 . 1 1 96 96 LYS CA C 13 60.586 0.000 . 1 . . . . 96 LYS CA . 16673 1 467 . 1 1 96 96 LYS CB C 13 33.216 0.000 . 1 . . . . 96 LYS CB . 16673 1 468 . 1 1 96 96 LYS N N 15 118.727 0.022 . 1 . . . . 96 LYS N . 16673 1 469 . 1 1 97 97 GLU H H 1 7.667 0.002 . 1 . . . . 97 GLU H . 16673 1 470 . 1 1 97 97 GLU C C 13 180.779 0.000 . 1 . . . . 97 GLU C . 16673 1 471 . 1 1 97 97 GLU CA C 13 58.460 0.000 . 1 . . . . 97 GLU CA . 16673 1 472 . 1 1 97 97 GLU CB C 13 29.837 0.000 . 1 . . . . 97 GLU CB . 16673 1 473 . 1 1 97 97 GLU N N 15 117.644 0.000 . 1 . . . . 97 GLU N . 16673 1 474 . 1 1 98 98 LEU H H 1 8.845 0.003 . 1 . . . . 98 LEU H . 16673 1 475 . 1 1 98 98 LEU C C 13 177.653 0.000 . 1 . . . . 98 LEU C . 16673 1 476 . 1 1 98 98 LEU CA C 13 57.945 0.000 . 1 . . . . 98 LEU CA . 16673 1 477 . 1 1 98 98 LEU CB C 13 41.725 0.000 . 1 . . . . 98 LEU CB . 16673 1 478 . 1 1 98 98 LEU N N 15 122.378 0.034 . 1 . . . . 98 LEU N . 16673 1 479 . 1 1 99 99 ALA H H 1 8.212 0.002 . 1 . . . . 99 ALA H . 16673 1 480 . 1 1 99 99 ALA C C 13 177.599 0.000 . 1 . . . . 99 ALA C . 16673 1 481 . 1 1 99 99 ALA CA C 13 55.177 0.000 . 1 . . . . 99 ALA CA . 16673 1 482 . 1 1 99 99 ALA CB C 13 16.928 0.000 . 1 . . . . 99 ALA CB . 16673 1 483 . 1 1 99 99 ALA N N 15 124.246 0.024 . 1 . . . . 99 ALA N . 16673 1 484 . 1 1 100 100 ASP H H 1 7.148 0.002 . 1 . . . . 100 ASP H . 16673 1 485 . 1 1 100 100 ASP C C 13 177.101 0.000 . 1 . . . . 100 ASP C . 16673 1 486 . 1 1 100 100 ASP CA C 13 57.283 0.000 . 1 . . . . 100 ASP CA . 16673 1 487 . 1 1 100 100 ASP CB C 13 42.665 0.000 . 1 . . . . 100 ASP CB . 16673 1 488 . 1 1 100 100 ASP N N 15 117.346 0.022 . 1 . . . . 100 ASP N . 16673 1 489 . 1 1 101 101 ALA H H 1 7.769 0.002 . 1 . . . . 101 ALA H . 16673 1 490 . 1 1 101 101 ALA C C 13 181.193 0.000 . 1 . . . . 101 ALA C . 16673 1 491 . 1 1 101 101 ALA CA C 13 55.465 0.000 . 1 . . . . 101 ALA CA . 16673 1 492 . 1 1 101 101 ALA CB C 13 18.266 0.000 . 1 . . . . 101 ALA CB . 16673 1 493 . 1 1 101 101 ALA N N 15 118.579 0.000 . 1 . . . . 101 ALA N . 16673 1 494 . 1 1 102 102 SER H H 1 8.599 0.005 . 1 . . . . 102 SER H . 16673 1 495 . 1 1 102 102 SER C C 13 177.184 0.000 . 1 . . . . 102 SER C . 16673 1 496 . 1 1 102 102 SER CA C 13 60.914 0.000 . 1 . . . . 102 SER CA . 16673 1 497 . 1 1 102 102 SER CB C 13 64.178 0.000 . 1 . . . . 102 SER CB . 16673 1 498 . 1 1 102 102 SER N N 15 113.671 0.204 . 1 . . . . 102 SER N . 16673 1 499 . 1 1 103 103 LEU H H 1 8.218 0.002 . 1 . . . . 103 LEU H . 16673 1 500 . 1 1 103 103 LEU C C 13 179.811 0.000 . 1 . . . . 103 LEU C . 16673 1 501 . 1 1 103 103 LEU CA C 13 57.737 0.000 . 1 . . . . 103 LEU CA . 16673 1 502 . 1 1 103 103 LEU CB C 13 40.980 0.000 . 1 . . . . 103 LEU CB . 16673 1 503 . 1 1 103 103 LEU N N 15 113.847 0.033 . 1 . . . . 103 LEU N . 16673 1 504 . 1 1 104 104 ARG H H 1 9.076 0.003 . 1 . . . . 104 ARG H . 16673 1 505 . 1 1 104 104 ARG C C 13 177.212 0.000 . 1 . . . . 104 ARG C . 16673 1 506 . 1 1 104 104 ARG CA C 13 58.927 0.000 . 1 . . . . 104 ARG CA . 16673 1 507 . 1 1 104 104 ARG CB C 13 29.451 0.000 . 1 . . . . 104 ARG CB . 16673 1 508 . 1 1 104 104 ARG N N 15 114.750 0.000 . 1 . . . . 104 ARG N . 16673 1 509 . 1 1 105 105 TYR H H 1 7.248 0.003 . 1 . . . . 105 TYR H . 16673 1 510 . 1 1 105 105 TYR C C 13 174.861 0.000 . 1 . . . . 105 TYR C . 16673 1 511 . 1 1 105 105 TYR CA C 13 58.062 0.000 . 1 . . . . 105 TYR CA . 16673 1 512 . 1 1 105 105 TYR CB C 13 39.708 0.000 . 1 . . . . 105 TYR CB . 16673 1 513 . 1 1 105 105 TYR N N 15 112.622 0.022 . 1 . . . . 105 TYR N . 16673 1 514 . 1 1 106 106 SER H H 1 7.482 0.003 . 1 . . . . 106 SER H . 16673 1 515 . 1 1 106 106 SER C C 13 174.972 0.000 . 1 . . . . 106 SER C . 16673 1 516 . 1 1 106 106 SER CA C 13 58.412 0.000 . 1 . . . . 106 SER CA . 16673 1 517 . 1 1 106 106 SER CB C 13 64.474 0.000 . 1 . . . . 106 SER CB . 16673 1 518 . 1 1 106 106 SER N N 15 119.495 0.000 . 1 . . . . 106 SER N . 16673 1 519 . 1 1 107 107 ASP H H 1 7.434 0.001 . 1 . . . . 107 ASP H . 16673 1 520 . 1 1 107 107 ASP C C 13 176.520 0.000 . 1 . . . . 107 ASP C . 16673 1 521 . 1 1 107 107 ASP CA C 13 56.146 0.000 . 1 . . . . 107 ASP CA . 16673 1 522 . 1 1 107 107 ASP CB C 13 44.053 0.000 . 1 . . . . 107 ASP CB . 16673 1 523 . 1 1 107 107 ASP N N 15 120.213 0.026 . 1 . . . . 107 ASP N . 16673 1 524 . 1 1 108 108 ASN H H 1 8.815 0.002 . 1 . . . . 108 ASN H . 16673 1 525 . 1 1 108 108 ASN C C 13 178.069 0.000 . 1 . . . . 108 ASN C . 16673 1 526 . 1 1 108 108 ASN CA C 13 55.878 0.000 . 1 . . . . 108 ASN CA . 16673 1 527 . 1 1 108 108 ASN CB C 13 38.988 0.000 . 1 . . . . 108 ASN CB . 16673 1 528 . 1 1 108 108 ASN N N 15 127.043 0.034 . 1 . . . . 108 ASN N . 16673 1 529 . 1 1 109 109 THR H H 1 7.679 0.002 . 1 . . . . 109 THR H . 16673 1 530 . 1 1 109 109 THR C C 13 176.319 0.000 . 1 . . . . 109 THR C . 16673 1 531 . 1 1 109 109 THR CA C 13 68.008 0.000 . 1 . . . . 109 THR CA . 16673 1 532 . 1 1 109 109 THR CB C 13 67.043 0.000 . 1 . . . . 109 THR CB . 16673 1 533 . 1 1 109 109 THR N N 15 120.091 0.015 . 1 . . . . 109 THR N . 16673 1 534 . 1 1 110 110 ALA H H 1 8.366 0.002 . 1 . . . . 110 ALA H . 16673 1 535 . 1 1 110 110 ALA C C 13 178.014 0.000 . 1 . . . . 110 ALA C . 16673 1 536 . 1 1 110 110 ALA CA C 13 55.608 0.000 . 1 . . . . 110 ALA CA . 16673 1 537 . 1 1 110 110 ALA CB C 13 18.723 0.000 . 1 . . . . 110 ALA CB . 16673 1 538 . 1 1 110 110 ALA N N 15 123.490 0.028 . 1 . . . . 110 ALA N . 16673 1 539 . 1 1 111 111 GLN H H 1 7.096 0.003 . 1 . . . . 111 GLN H . 16673 1 540 . 1 1 111 111 GLN C C 13 176.465 0.000 . 1 . . . . 111 GLN C . 16673 1 541 . 1 1 111 111 GLN CA C 13 57.572 0.000 . 1 . . . . 111 GLN CA . 16673 1 542 . 1 1 111 111 GLN CB C 13 27.218 0.000 . 1 . . . . 111 GLN CB . 16673 1 543 . 1 1 111 111 GLN N N 15 114.731 0.029 . 1 . . . . 111 GLN N . 16673 1 544 . 1 1 112 112 ASN H H 1 7.634 0.002 . 1 . . . . 112 ASN H . 16673 1 545 . 1 1 112 112 ASN C C 13 178.124 0.000 . 1 . . . . 112 ASN C . 16673 1 546 . 1 1 112 112 ASN CA C 13 56.025 0.000 . 1 . . . . 112 ASN CA . 16673 1 547 . 1 1 112 112 ASN CB C 13 36.978 0.000 . 1 . . . . 112 ASN CB . 16673 1 548 . 1 1 112 112 ASN N N 15 120.366 0.000 . 1 . . . . 112 ASN N . 16673 1 549 . 1 1 113 113 LEU H H 1 8.674 0.003 . 1 . . . . 113 LEU H . 16673 1 550 . 1 1 113 113 LEU C C 13 180.419 0.000 . 1 . . . . 113 LEU C . 16673 1 551 . 1 1 113 113 LEU CA C 13 58.152 0.000 . 1 . . . . 113 LEU CA . 16673 1 552 . 1 1 113 113 LEU CB C 13 41.939 0.000 . 1 . . . . 113 LEU CB . 16673 1 553 . 1 1 113 113 LEU N N 15 120.052 0.000 . 1 . . . . 113 LEU N . 16673 1 554 . 1 1 114 114 ILE H H 1 8.269 0.003 . 1 . . . . 114 ILE H . 16673 1 555 . 1 1 114 114 ILE C C 13 177.792 0.000 . 1 . . . . 114 ILE C . 16673 1 556 . 1 1 114 114 ILE CA C 13 66.558 0.000 . 1 . . . . 114 ILE CA . 16673 1 557 . 1 1 114 114 ILE CB C 13 37.536 0.000 . 1 . . . . 114 ILE CB . 16673 1 558 . 1 1 114 114 ILE N N 15 120.447 0.000 . 1 . . . . 114 ILE N . 16673 1 559 . 1 1 115 115 LEU H H 1 8.961 0.002 . 1 . . . . 115 LEU H . 16673 1 560 . 1 1 115 115 LEU C C 13 180.253 0.000 . 1 . . . . 115 LEU C . 16673 1 561 . 1 1 115 115 LEU CA C 13 57.459 0.000 . 1 . . . . 115 LEU CA . 16673 1 562 . 1 1 115 115 LEU CB C 13 42.735 0.000 . 1 . . . . 115 LEU CB . 16673 1 563 . 1 1 115 115 LEU N N 15 120.038 0.000 . 1 . . . . 115 LEU N . 16673 1 564 . 1 1 116 116 LYS H H 1 8.438 0.002 . 1 . . . . 116 LYS H . 16673 1 565 . 1 1 116 116 LYS C C 13 179.949 0.000 . 1 . . . . 116 LYS C . 16673 1 566 . 1 1 116 116 LYS CA C 13 60.306 0.000 . 1 . . . . 116 LYS CA . 16673 1 567 . 1 1 116 116 LYS CB C 13 32.352 0.000 . 1 . . . . 116 LYS CB . 16673 1 568 . 1 1 116 116 LYS N N 15 118.653 0.024 . 1 . . . . 116 LYS N . 16673 1 569 . 1 1 117 117 GLN H H 1 7.746 0.002 . 1 . . . . 117 GLN H . 16673 1 570 . 1 1 117 117 GLN C C 13 177.931 0.000 . 1 . . . . 117 GLN C . 16673 1 571 . 1 1 117 117 GLN CA C 13 57.609 0.000 . 1 . . . . 117 GLN CA . 16673 1 572 . 1 1 117 117 GLN CB C 13 27.683 0.000 . 1 . . . . 117 GLN CB . 16673 1 573 . 1 1 117 117 GLN N N 15 118.186 0.029 . 1 . . . . 117 GLN N . 16673 1 574 . 1 1 118 118 ILE H H 1 7.484 0.002 . 1 . . . . 118 ILE H . 16673 1 575 . 1 1 118 118 ILE C C 13 175.470 0.000 . 1 . . . . 118 ILE C . 16673 1 576 . 1 1 118 118 ILE CA C 13 61.314 0.000 . 1 . . . . 118 ILE CA . 16673 1 577 . 1 1 118 118 ILE CB C 13 38.710 0.000 . 1 . . . . 118 ILE CB . 16673 1 578 . 1 1 118 118 ILE N N 15 110.315 0.023 . 1 . . . . 118 ILE N . 16673 1 579 . 1 1 119 119 GLY H H 1 7.495 0.002 . 1 . . . . 119 GLY H . 16673 1 580 . 1 1 119 119 GLY C C 13 175.387 0.000 . 1 . . . . 119 GLY C . 16673 1 581 . 1 1 119 119 GLY CA C 13 45.161 0.000 . 1 . . . . 119 GLY CA . 16673 1 582 . 1 1 119 119 GLY N N 15 106.634 0.000 . 1 . . . . 119 GLY N . 16673 1 583 . 1 1 120 120 GLY H H 1 8.557 0.004 . 1 . . . . 120 GLY H . 16673 1 584 . 1 1 120 120 GLY C C 13 171.239 0.000 . 1 . . . . 120 GLY C . 16673 1 585 . 1 1 120 120 GLY CA C 13 44.714 0.000 . 1 . . . . 120 GLY CA . 16673 1 586 . 1 1 120 120 GLY N N 15 108.929 0.027 . 1 . . . . 120 GLY N . 16673 1 587 . 1 1 121 121 PRO C C 13 176.582 0.000 . 1 . . . . 121 PRO C . 16673 1 588 . 1 1 121 121 PRO CA C 13 66.080 0.000 . 1 . . . . 121 PRO CA . 16673 1 589 . 1 1 121 121 PRO CB C 13 31.328 0.000 . 1 . . . . 121 PRO CB . 16673 1 590 . 1 1 122 122 GLU H H 1 8.892 0.002 . 1 . . . . 122 GLU H . 16673 1 591 . 1 1 122 122 GLU C C 13 179.507 0.000 . 1 . . . . 122 GLU C . 16673 1 592 . 1 1 122 122 GLU CA C 13 59.410 0.000 . 1 . . . . 122 GLU CA . 16673 1 593 . 1 1 122 122 GLU CB C 13 28.959 0.000 . 1 . . . . 122 GLU CB . 16673 1 594 . 1 1 122 122 GLU N N 15 116.081 0.000 . 1 . . . . 122 GLU N . 16673 1 595 . 1 1 123 123 SER H H 1 7.046 0.002 . 1 . . . . 123 SER H . 16673 1 596 . 1 1 123 123 SER C C 13 176.107 0.000 . 1 . . . . 123 SER C . 16673 1 597 . 1 1 123 123 SER CA C 13 61.131 0.000 . 1 . . . . 123 SER CA . 16673 1 598 . 1 1 123 123 SER CB C 13 63.260 0.000 . 1 . . . . 123 SER CB . 16673 1 599 . 1 1 123 123 SER N N 15 115.587 0.003 . 1 . . . . 123 SER N . 16673 1 600 . 1 1 124 124 LEU H H 1 7.840 0.002 . 1 . . . . 124 LEU H . 16673 1 601 . 1 1 124 124 LEU C C 13 177.293 0.000 . 1 . . . . 124 LEU C . 16673 1 602 . 1 1 124 124 LEU CA C 13 58.416 0.000 . 1 . . . . 124 LEU CA . 16673 1 603 . 1 1 124 124 LEU CB C 13 40.930 0.000 . 1 . . . . 124 LEU CB . 16673 1 604 . 1 1 124 124 LEU N N 15 121.012 0.009 . 1 . . . . 124 LEU N . 16673 1 605 . 1 1 125 125 LYS H H 1 8.474 0.002 . 1 . . . . 125 LYS H . 16673 1 606 . 1 1 125 125 LYS C C 13 177.184 0.000 . 1 . . . . 125 LYS C . 16673 1 607 . 1 1 125 125 LYS CA C 13 60.918 0.000 . 1 . . . . 125 LYS CA . 16673 1 608 . 1 1 125 125 LYS CB C 13 32.203 0.000 . 1 . . . . 125 LYS CB . 16673 1 609 . 1 1 125 125 LYS N N 15 117.760 0.024 . 1 . . . . 125 LYS N . 16673 1 610 . 1 1 126 126 LYS H H 1 7.688 0.002 . 1 . . . . 126 LYS H . 16673 1 611 . 1 1 126 126 LYS C C 13 179.783 0.000 . 1 . . . . 126 LYS C . 16673 1 612 . 1 1 126 126 LYS CA C 13 60.066 0.000 . 1 . . . . 126 LYS CA . 16673 1 613 . 1 1 126 126 LYS CB C 13 32.357 0.000 . 1 . . . . 126 LYS CB . 16673 1 614 . 1 1 126 126 LYS N N 15 117.172 0.000 . 1 . . . . 126 LYS N . 16673 1 615 . 1 1 127 127 GLU H H 1 8.297 0.001 . 1 . . . . 127 GLU H . 16673 1 616 . 1 1 127 127 GLU C C 13 179.811 0.000 . 1 . . . . 127 GLU C . 16673 1 617 . 1 1 127 127 GLU CA C 13 58.364 0.000 . 1 . . . . 127 GLU CA . 16673 1 618 . 1 1 127 127 GLU CB C 13 29.171 0.000 . 1 . . . . 127 GLU CB . 16673 1 619 . 1 1 127 127 GLU N N 15 118.103 0.023 . 1 . . . . 127 GLU N . 16673 1 620 . 1 1 128 128 LEU H H 1 8.355 0.002 . 1 . . . . 128 LEU H . 16673 1 621 . 1 1 128 128 LEU C C 13 179.617 0.000 . 1 . . . . 128 LEU C . 16673 1 622 . 1 1 128 128 LEU CA C 13 57.248 0.000 . 1 . . . . 128 LEU CA . 16673 1 623 . 1 1 128 128 LEU CB C 13 39.605 0.000 . 1 . . . . 128 LEU CB . 16673 1 624 . 1 1 128 128 LEU N N 15 120.508 0.003 . 1 . . . . 128 LEU N . 16673 1 625 . 1 1 129 129 ARG H H 1 8.581 0.002 . 1 . . . . 129 ARG H . 16673 1 626 . 1 1 129 129 ARG C C 13 181.608 0.000 . 1 . . . . 129 ARG C . 16673 1 627 . 1 1 129 129 ARG CA C 13 58.148 0.000 . 1 . . . . 129 ARG CA . 16673 1 628 . 1 1 129 129 ARG CB C 13 28.545 0.000 . 1 . . . . 129 ARG CB . 16673 1 629 . 1 1 129 129 ARG N N 15 120.097 0.022 . 1 . . . . 129 ARG N . 16673 1 630 . 1 1 130 130 LYS H H 1 7.678 0.002 . 1 . . . . 130 LYS H . 16673 1 631 . 1 1 130 130 LYS C C 13 178.788 0.000 . 1 . . . . 130 LYS C . 16673 1 632 . 1 1 130 130 LYS CA C 13 59.490 0.000 . 1 . . . . 130 LYS CA . 16673 1 633 . 1 1 130 130 LYS CB C 13 32.726 0.000 . 1 . . . . 130 LYS CB . 16673 1 634 . 1 1 130 130 LYS N N 15 118.917 0.020 . 1 . . . . 130 LYS N . 16673 1 635 . 1 1 131 131 ILE H H 1 7.236 0.002 . 1 . . . . 131 ILE H . 16673 1 636 . 1 1 131 131 ILE C C 13 175.718 0.000 . 1 . . . . 131 ILE C . 16673 1 637 . 1 1 131 131 ILE CA C 13 61.244 0.000 . 1 . . . . 131 ILE CA . 16673 1 638 . 1 1 131 131 ILE CB C 13 38.406 0.000 . 1 . . . . 131 ILE CB . 16673 1 639 . 1 1 131 131 ILE N N 15 110.615 0.000 . 1 . . . . 131 ILE N . 16673 1 640 . 1 1 132 132 GLY H H 1 7.624 0.002 . 1 . . . . 132 GLY H . 16673 1 641 . 1 1 132 132 GLY C C 13 173.147 0.000 . 1 . . . . 132 GLY C . 16673 1 642 . 1 1 132 132 GLY CA C 13 44.847 0.000 . 1 . . . . 132 GLY CA . 16673 1 643 . 1 1 132 132 GLY N N 15 108.316 0.027 . 1 . . . . 132 GLY N . 16673 1 644 . 1 1 133 133 ASP H H 1 7.833 0.002 . 1 . . . . 133 ASP H . 16673 1 645 . 1 1 133 133 ASP C C 13 175.793 0.000 . 1 . . . . 133 ASP C . 16673 1 646 . 1 1 133 133 ASP CA C 13 52.643 0.000 . 1 . . . . 133 ASP CA . 16673 1 647 . 1 1 133 133 ASP CB C 13 39.497 0.000 . 1 . . . . 133 ASP CB . 16673 1 648 . 1 1 133 133 ASP N N 15 121.042 0.000 . 1 . . . . 133 ASP N . 16673 1 649 . 1 1 134 134 GLU H H 1 8.501 0.003 . 1 . . . . 134 GLU H . 16673 1 650 . 1 1 134 134 GLU C C 13 175.857 0.000 . 1 . . . . 134 GLU C . 16673 1 651 . 1 1 134 134 GLU CA C 13 55.779 0.000 . 1 . . . . 134 GLU CA . 16673 1 652 . 1 1 134 134 GLU CB C 13 30.157 0.000 . 1 . . . . 134 GLU CB . 16673 1 653 . 1 1 134 134 GLU N N 15 123.768 0.000 . 1 . . . . 134 GLU N . 16673 1 654 . 1 1 135 135 VAL H H 1 8.733 0.003 . 1 . . . . 135 VAL H . 16673 1 655 . 1 1 135 135 VAL C C 13 176.161 0.000 . 1 . . . . 135 VAL C . 16673 1 656 . 1 1 135 135 VAL CA C 13 64.188 0.000 . 1 . . . . 135 VAL CA . 16673 1 657 . 1 1 135 135 VAL CB C 13 34.844 0.000 . 1 . . . . 135 VAL CB . 16673 1 658 . 1 1 135 135 VAL N N 15 123.318 0.000 . 1 . . . . 135 VAL N . 16673 1 659 . 1 1 136 136 THR H H 1 9.853 0.003 . 1 . . . . 136 THR H . 16673 1 660 . 1 1 136 136 THR C C 13 176.213 0.000 . 1 . . . . 136 THR C . 16673 1 661 . 1 1 136 136 THR CA C 13 65.109 0.000 . 1 . . . . 136 THR CA . 16673 1 662 . 1 1 136 136 THR CB C 13 66.550 0.000 . 1 . . . . 136 THR CB . 16673 1 663 . 1 1 136 136 THR N N 15 123.199 0.000 . 1 . . . . 136 THR N . 16673 1 664 . 1 1 137 137 ASN H H 1 8.653 0.004 . 1 . . . . 137 ASN H . 16673 1 665 . 1 1 137 137 ASN C C 13 171.322 0.000 . 1 . . . . 137 ASN C . 16673 1 666 . 1 1 137 137 ASN CA C 13 50.762 0.000 . 1 . . . . 137 ASN CA . 16673 1 667 . 1 1 137 137 ASN CB C 13 40.007 0.000 . 1 . . . . 137 ASN CB . 16673 1 668 . 1 1 137 137 ASN N N 15 124.414 0.000 . 1 . . . . 137 ASN N . 16673 1 669 . 1 1 138 138 PRO C C 13 175.142 0.000 . 1 . . . . 138 PRO C . 16673 1 670 . 1 1 138 138 PRO CA C 13 63.725 0.000 . 1 . . . . 138 PRO CA . 16673 1 671 . 1 1 138 138 PRO CB C 13 31.504 0.000 . 1 . . . . 138 PRO CB . 16673 1 672 . 1 1 139 139 GLU H H 1 9.719 0.003 . 1 . . . . 139 GLU H . 16673 1 673 . 1 1 139 139 GLU C C 13 176.410 0.000 . 1 . . . . 139 GLU C . 16673 1 674 . 1 1 139 139 GLU CA C 13 57.624 0.000 . 1 . . . . 139 GLU CA . 16673 1 675 . 1 1 139 139 GLU CB C 13 34.470 0.000 . 1 . . . . 139 GLU CB . 16673 1 676 . 1 1 139 139 GLU N N 15 123.826 0.023 . 1 . . . . 139 GLU N . 16673 1 677 . 1 1 140 140 ARG H H 1 8.654 0.002 . 1 . . . . 140 ARG H . 16673 1 678 . 1 1 140 140 ARG C C 13 174.889 0.000 . 1 . . . . 140 ARG C . 16673 1 679 . 1 1 140 140 ARG CA C 13 55.544 0.000 . 1 . . . . 140 ARG CA . 16673 1 680 . 1 1 140 140 ARG CB C 13 34.465 0.000 . 1 . . . . 140 ARG CB . 16673 1 681 . 1 1 140 140 ARG N N 15 120.363 0.027 . 1 . . . . 140 ARG N . 16673 1 682 . 1 1 141 141 PHE H H 1 8.362 0.003 . 1 . . . . 141 PHE H . 16673 1 683 . 1 1 141 141 PHE C C 13 176.880 0.000 . 1 . . . . 141 PHE C . 16673 1 684 . 1 1 141 141 PHE CA C 13 57.960 0.000 . 1 . . . . 141 PHE CA . 16673 1 685 . 1 1 141 141 PHE CB C 13 39.820 0.000 . 1 . . . . 141 PHE CB . 16673 1 686 . 1 1 141 141 PHE N N 15 116.036 0.027 . 1 . . . . 141 PHE N . 16673 1 687 . 1 1 142 142 GLU H H 1 9.682 0.005 . 1 . . . . 142 GLU H . 16673 1 688 . 1 1 142 142 GLU C C 13 177.903 0.000 . 1 . . . . 142 GLU C . 16673 1 689 . 1 1 142 142 GLU CA C 13 55.305 0.000 . 1 . . . . 142 GLU CA . 16673 1 690 . 1 1 142 142 GLU CB C 13 28.987 0.000 . 1 . . . . 142 GLU CB . 16673 1 691 . 1 1 142 142 GLU N N 15 116.461 0.058 . 1 . . . . 142 GLU N . 16673 1 692 . 1 1 143 143 PRO C C 13 177.977 0.000 . 1 . . . . 143 PRO C . 16673 1 693 . 1 1 143 143 PRO CA C 13 63.476 0.000 . 1 . . . . 143 PRO CA . 16673 1 694 . 1 1 143 143 PRO CB C 13 33.513 0.000 . 1 . . . . 143 PRO CB . 16673 1 695 . 1 1 144 144 GLU H H 1 9.142 0.002 . 1 . . . . 144 GLU H . 16673 1 696 . 1 1 144 144 GLU C C 13 177.488 0.000 . 1 . . . . 144 GLU C . 16673 1 697 . 1 1 144 144 GLU CA C 13 61.064 0.000 . 1 . . . . 144 GLU CA . 16673 1 698 . 1 1 144 144 GLU CB C 13 28.730 0.000 . 1 . . . . 144 GLU CB . 16673 1 699 . 1 1 144 144 GLU N N 15 129.014 0.036 . 1 . . . . 144 GLU N . 16673 1 700 . 1 1 145 145 LEU H H 1 7.993 0.002 . 1 . . . . 145 LEU H . 16673 1 701 . 1 1 145 145 LEU C C 13 175.304 0.000 . 1 . . . . 145 LEU C . 16673 1 702 . 1 1 145 145 LEU CA C 13 57.405 0.000 . 1 . . . . 145 LEU CA . 16673 1 703 . 1 1 145 145 LEU CB C 13 40.619 0.000 . 1 . . . . 145 LEU CB . 16673 1 704 . 1 1 145 145 LEU N N 15 114.574 0.080 . 1 . . . . 145 LEU N . 16673 1 705 . 1 1 146 146 ASN H H 1 7.474 0.002 . 1 . . . . 146 ASN H . 16673 1 706 . 1 1 146 146 ASN C C 13 174.972 0.000 . 1 . . . . 146 ASN C . 16673 1 707 . 1 1 146 146 ASN CA C 13 55.231 0.000 . 1 . . . . 146 ASN CA . 16673 1 708 . 1 1 146 146 ASN CB C 13 40.681 0.000 . 1 . . . . 146 ASN CB . 16673 1 709 . 1 1 146 146 ASN N N 15 114.819 0.023 . 1 . . . . 146 ASN N . 16673 1 710 . 1 1 147 147 GLU H H 1 7.985 0.002 . 1 . . . . 147 GLU H . 16673 1 711 . 1 1 147 147 GLU C C 13 174.430 0.000 . 1 . . . . 147 GLU C . 16673 1 712 . 1 1 147 147 GLU CA C 13 55.522 0.000 . 1 . . . . 147 GLU CA . 16673 1 713 . 1 1 147 147 GLU CB C 13 28.845 0.000 . 1 . . . . 147 GLU CB . 16673 1 714 . 1 1 147 147 GLU N N 15 121.298 0.019 . 1 . . . . 147 GLU N . 16673 1 715 . 1 1 148 148 VAL H H 1 7.920 0.003 . 1 . . . . 148 VAL H . 16673 1 716 . 1 1 148 148 VAL C C 13 175.027 0.000 . 1 . . . . 148 VAL C . 16673 1 717 . 1 1 148 148 VAL CA C 13 61.831 0.000 . 1 . . . . 148 VAL CA . 16673 1 718 . 1 1 148 148 VAL CB C 13 34.852 0.000 . 1 . . . . 148 VAL CB . 16673 1 719 . 1 1 148 148 VAL N N 15 129.632 0.040 . 1 . . . . 148 VAL N . 16673 1 720 . 1 1 149 149 ASN H H 1 8.482 0.002 . 1 . . . . 149 ASN H . 16673 1 721 . 1 1 149 149 ASN C C 13 172.355 0.000 . 1 . . . . 149 ASN C . 16673 1 722 . 1 1 149 149 ASN CA C 13 51.074 0.000 . 1 . . . . 149 ASN CA . 16673 1 723 . 1 1 149 149 ASN CB C 13 37.985 0.000 . 1 . . . . 149 ASN CB . 16673 1 724 . 1 1 149 149 ASN N N 15 125.439 0.031 . 1 . . . . 149 ASN N . 16673 1 725 . 1 1 150 150 PRO C C 13 177.310 0.000 . 1 . . . . 150 PRO C . 16673 1 726 . 1 1 150 150 PRO CA C 13 64.388 0.000 . 1 . . . . 150 PRO CA . 16673 1 727 . 1 1 150 150 PRO CB C 13 31.271 0.000 . 1 . . . . 150 PRO CB . 16673 1 728 . 1 1 151 151 GLY H H 1 8.462 0.003 . 1 . . . . 151 GLY H . 16673 1 729 . 1 1 151 151 GLY C C 13 174.612 0.000 . 1 . . . . 151 GLY C . 16673 1 730 . 1 1 151 151 GLY CA C 13 44.986 0.000 . 1 . . . . 151 GLY CA . 16673 1 731 . 1 1 151 151 GLY N N 15 113.589 0.157 . 1 . . . . 151 GLY N . 16673 1 732 . 1 1 152 152 GLU H H 1 7.877 0.001 . 1 . . . . 152 GLU H . 16673 1 733 . 1 1 152 152 GLU C C 13 177.046 0.000 . 1 . . . . 152 GLU C . 16673 1 734 . 1 1 152 152 GLU CA C 13 55.901 0.000 . 1 . . . . 152 GLU CA . 16673 1 735 . 1 1 152 152 GLU CB C 13 30.073 0.000 . 1 . . . . 152 GLU CB . 16673 1 736 . 1 1 152 152 GLU N N 15 120.354 0.000 . 1 . . . . 152 GLU N . 16673 1 737 . 1 1 153 153 THR H H 1 8.280 0.003 . 1 . . . . 153 THR H . 16673 1 738 . 1 1 153 153 THR C C 13 178.290 0.000 . 1 . . . . 153 THR C . 16673 1 739 . 1 1 153 153 THR CA C 13 61.078 0.000 . 1 . . . . 153 THR CA . 16673 1 740 . 1 1 153 153 THR CB C 13 69.581 0.000 . 1 . . . . 153 THR CB . 16673 1 741 . 1 1 153 153 THR N N 15 105.857 0.025 . 1 . . . . 153 THR N . 16673 1 742 . 1 1 154 154 GLN H H 1 8.596 0.002 . 1 . . . . 154 GLN H . 16673 1 743 . 1 1 154 154 GLN C C 13 172.677 0.000 . 1 . . . . 154 GLN C . 16673 1 744 . 1 1 154 154 GLN CA C 13 57.021 0.000 . 1 . . . . 154 GLN CA . 16673 1 745 . 1 1 154 154 GLN CB C 13 27.004 0.000 . 1 . . . . 154 GLN CB . 16673 1 746 . 1 1 154 154 GLN N N 15 130.719 0.037 . 1 . . . . 154 GLN N . 16673 1 747 . 1 1 155 155 ASP H H 1 8.369 0.002 . 1 . . . . 155 ASP H . 16673 1 748 . 1 1 155 155 ASP C C 13 175.248 0.000 . 1 . . . . 155 ASP C . 16673 1 749 . 1 1 155 155 ASP CA C 13 55.471 0.000 . 1 . . . . 155 ASP CA . 16673 1 750 . 1 1 155 155 ASP CB C 13 41.011 0.000 . 1 . . . . 155 ASP CB . 16673 1 751 . 1 1 155 155 ASP N N 15 113.255 0.032 . 1 . . . . 155 ASP N . 16673 1 752 . 1 1 156 156 THR H H 1 6.759 0.002 . 1 . . . . 156 THR H . 16673 1 753 . 1 1 156 156 THR C C 13 175.442 0.000 . 1 . . . . 156 THR C . 16673 1 754 . 1 1 156 156 THR CA C 13 58.894 0.000 . 1 . . . . 156 THR CA . 16673 1 755 . 1 1 156 156 THR CB C 13 74.871 0.000 . 1 . . . . 156 THR CB . 16673 1 756 . 1 1 156 156 THR N N 15 100.504 0.000 . 1 . . . . 156 THR N . 16673 1 757 . 1 1 157 157 SER H H 1 8.810 0.002 . 1 . . . . 157 SER H . 16673 1 758 . 1 1 157 157 SER C C 13 172.370 0.000 . 1 . . . . 157 SER C . 16673 1 759 . 1 1 157 157 SER CA C 13 56.859 0.000 . 1 . . . . 157 SER CA . 16673 1 760 . 1 1 157 157 SER CB C 13 62.734 0.000 . 1 . . . . 157 SER CB . 16673 1 761 . 1 1 157 157 SER N N 15 111.356 0.030 . 1 . . . . 157 SER N . 16673 1 762 . 1 1 158 158 THR H H 1 8.589 0.002 . 1 . . . . 158 THR H . 16673 1 763 . 1 1 158 158 THR C C 13 173.700 0.000 . 1 . . . . 158 THR C . 16673 1 764 . 1 1 158 158 THR CA C 13 58.183 0.000 . 1 . . . . 158 THR CA . 16673 1 765 . 1 1 158 158 THR CB C 13 72.106 0.000 . 1 . . . . 158 THR CB . 16673 1 766 . 1 1 158 158 THR N N 15 109.552 0.163 . 1 . . . . 158 THR N . 16673 1 767 . 1 1 159 159 ALA H H 1 10.130 0.002 . 1 . . . . 159 ALA H . 16673 1 768 . 1 1 159 159 ALA C C 13 178.577 0.000 . 1 . . . . 159 ALA C . 16673 1 769 . 1 1 159 159 ALA CA C 13 55.910 0.000 . 1 . . . . 159 ALA CA . 16673 1 770 . 1 1 159 159 ALA CB C 13 17.354 0.000 . 1 . . . . 159 ALA CB . 16673 1 771 . 1 1 159 159 ALA N N 15 125.753 0.023 . 1 . . . . 159 ALA N . 16673 1 772 . 1 1 160 160 ARG H H 1 8.338 0.002 . 1 . . . . 160 ARG H . 16673 1 773 . 1 1 160 160 ARG C C 13 178.934 0.000 . 1 . . . . 160 ARG C . 16673 1 774 . 1 1 160 160 ARG CA C 13 59.095 0.000 . 1 . . . . 160 ARG CA . 16673 1 775 . 1 1 160 160 ARG CB C 13 31.075 0.000 . 1 . . . . 160 ARG CB . 16673 1 776 . 1 1 160 160 ARG N N 15 115.553 0.018 . 1 . . . . 160 ARG N . 16673 1 777 . 1 1 161 161 ALA H H 1 7.899 0.002 . 1 . . . . 161 ALA H . 16673 1 778 . 1 1 161 161 ALA C C 13 179.463 0.000 . 1 . . . . 161 ALA C . 16673 1 779 . 1 1 161 161 ALA CA C 13 55.334 0.000 . 1 . . . . 161 ALA CA . 16673 1 780 . 1 1 161 161 ALA CB C 13 18.630 0.000 . 1 . . . . 161 ALA CB . 16673 1 781 . 1 1 161 161 ALA N N 15 123.227 0.027 . 1 . . . . 161 ALA N . 16673 1 782 . 1 1 162 162 LEU H H 1 8.443 0.002 . 1 . . . . 162 LEU H . 16673 1 783 . 1 1 162 162 LEU C C 13 179.258 0.000 . 1 . . . . 162 LEU C . 16673 1 784 . 1 1 162 162 LEU CA C 13 58.365 0.000 . 1 . . . . 162 LEU CA . 16673 1 785 . 1 1 162 162 LEU CB C 13 42.959 0.000 . 1 . . . . 162 LEU CB . 16673 1 786 . 1 1 162 162 LEU N N 15 116.260 0.000 . 1 . . . . 162 LEU N . 16673 1 787 . 1 1 163 163 ALA H H 1 7.905 0.003 . 1 . . . . 163 ALA H . 16673 1 788 . 1 1 163 163 ALA C C 13 178.964 0.000 . 1 . . . . 163 ALA C . 16673 1 789 . 1 1 163 163 ALA CA C 13 55.563 0.000 . 1 . . . . 163 ALA CA . 16673 1 790 . 1 1 163 163 ALA CB C 13 19.639 0.000 . 1 . . . . 163 ALA CB . 16673 1 791 . 1 1 163 163 ALA N N 15 117.224 0.003 . 1 . . . . 163 ALA N . 16673 1 792 . 1 1 164 164 THR H H 1 7.814 0.002 . 1 . . . . 164 THR H . 16673 1 793 . 1 1 164 164 THR C C 13 177.480 0.000 . 1 . . . . 164 THR C . 16673 1 794 . 1 1 164 164 THR CA C 13 66.722 0.000 . 1 . . . . 164 THR CA . 16673 1 795 . 1 1 164 164 THR CB C 13 68.670 0.000 . 1 . . . . 164 THR CB . 16673 1 796 . 1 1 164 164 THR N N 15 112.460 0.012 . 1 . . . . 164 THR N . 16673 1 797 . 1 1 165 165 SER H H 1 8.831 0.002 . 1 . . . . 165 SER H . 16673 1 798 . 1 1 165 165 SER C C 13 174.624 0.000 . 1 . . . . 165 SER C . 16673 1 799 . 1 1 165 165 SER CA C 13 62.681 0.000 . 1 . . . . 165 SER CA . 16673 1 800 . 1 1 165 165 SER CB C 13 68.570 0.000 . 1 . . . . 165 SER CB . 16673 1 801 . 1 1 165 165 SER N N 15 122.417 0.000 . 1 . . . . 165 SER N . 16673 1 802 . 1 1 166 166 LEU H H 1 8.255 0.002 . 1 . . . . 166 LEU H . 16673 1 803 . 1 1 166 166 LEU C C 13 177.964 0.000 . 1 . . . . 166 LEU C . 16673 1 804 . 1 1 166 166 LEU CA C 13 58.574 0.000 . 1 . . . . 166 LEU CA . 16673 1 805 . 1 1 166 166 LEU CB C 13 41.075 0.000 . 1 . . . . 166 LEU CB . 16673 1 806 . 1 1 166 166 LEU N N 15 122.004 0.023 . 1 . . . . 166 LEU N . 16673 1 807 . 1 1 167 167 GLN H H 1 8.480 0.002 . 1 . . . . 167 GLN H . 16673 1 808 . 1 1 167 167 GLN C C 13 177.378 0.000 . 1 . . . . 167 GLN C . 16673 1 809 . 1 1 167 167 GLN CA C 13 59.644 0.000 . 1 . . . . 167 GLN CA . 16673 1 810 . 1 1 167 167 GLN CB C 13 28.190 0.000 . 1 . . . . 167 GLN CB . 16673 1 811 . 1 1 167 167 GLN N N 15 118.937 0.000 . 1 . . . . 167 GLN N . 16673 1 812 . 1 1 168 168 ALA H H 1 7.843 0.002 . 1 . . . . 168 ALA H . 16673 1 813 . 1 1 168 168 ALA C C 13 177.903 0.000 . 1 . . . . 168 ALA C . 16673 1 814 . 1 1 168 168 ALA CA C 13 55.060 0.000 . 1 . . . . 168 ALA CA . 16673 1 815 . 1 1 168 168 ALA CB C 13 18.125 0.000 . 1 . . . . 168 ALA CB . 16673 1 816 . 1 1 168 168 ALA N N 15 121.594 0.000 . 1 . . . . 168 ALA N . 16673 1 817 . 1 1 169 169 PHE H H 1 7.046 0.002 . 1 . . . . 169 PHE H . 16673 1 818 . 1 1 169 169 PHE C C 13 176.023 0.000 . 1 . . . . 169 PHE C . 16673 1 819 . 1 1 169 169 PHE CA C 13 60.923 0.000 . 1 . . . . 169 PHE CA . 16673 1 820 . 1 1 169 169 PHE CB C 13 40.452 0.000 . 1 . . . . 169 PHE CB . 16673 1 821 . 1 1 169 169 PHE N N 15 109.331 0.127 . 1 . . . . 169 PHE N . 16673 1 822 . 1 1 170 170 ALA H H 1 8.640 0.002 . 1 . . . . 170 ALA H . 16673 1 823 . 1 1 170 170 ALA C C 13 177.212 0.000 . 1 . . . . 170 ALA C . 16673 1 824 . 1 1 170 170 ALA CA C 13 54.164 0.000 . 1 . . . . 170 ALA CA . 16673 1 825 . 1 1 170 170 ALA CB C 13 20.286 0.000 . 1 . . . . 170 ALA CB . 16673 1 826 . 1 1 170 170 ALA N N 15 115.176 0.101 . 1 . . . . 170 ALA N . 16673 1 827 . 1 1 171 171 LEU H H 1 8.317 0.002 . 1 . . . . 171 LEU H . 16673 1 828 . 1 1 171 171 LEU C C 13 177.625 0.000 . 1 . . . . 171 LEU C . 16673 1 829 . 1 1 171 171 LEU CA C 13 54.522 0.000 . 1 . . . . 171 LEU CA . 16673 1 830 . 1 1 171 171 LEU CB C 13 45.090 0.000 . 1 . . . . 171 LEU CB . 16673 1 831 . 1 1 171 171 LEU N N 15 111.882 0.030 . 1 . . . . 171 LEU N . 16673 1 832 . 1 1 172 172 GLU H H 1 7.020 0.002 . 1 . . . . 172 GLU H . 16673 1 833 . 1 1 172 172 GLU C C 13 175.221 0.000 . 1 . . . . 172 GLU C . 16673 1 834 . 1 1 172 172 GLU CA C 13 55.362 0.000 . 1 . . . . 172 GLU CA . 16673 1 835 . 1 1 172 172 GLU CB C 13 29.480 0.000 . 1 . . . . 172 GLU CB . 16673 1 836 . 1 1 172 172 GLU N N 15 118.309 0.000 . 1 . . . . 172 GLU N . 16673 1 837 . 1 1 173 173 ASP H H 1 8.227 0.002 . 1 . . . . 173 ASP H . 16673 1 838 . 1 1 173 173 ASP C C 13 176.748 0.000 . 1 . . . . 173 ASP C . 16673 1 839 . 1 1 173 173 ASP CA C 13 54.086 0.000 . 1 . . . . 173 ASP CA . 16673 1 840 . 1 1 173 173 ASP CB C 13 39.880 0.000 . 1 . . . . 173 ASP CB . 16673 1 841 . 1 1 173 173 ASP N N 15 117.201 0.018 . 1 . . . . 173 ASP N . 16673 1 842 . 1 1 174 174 LYS H H 1 7.103 0.002 . 1 . . . . 174 LYS H . 16673 1 843 . 1 1 174 174 LYS C C 13 176.897 0.000 . 1 . . . . 174 LYS C . 16673 1 844 . 1 1 174 174 LYS CA C 13 58.178 0.000 . 1 . . . . 174 LYS CA . 16673 1 845 . 1 1 174 174 LYS CB C 13 31.254 0.000 . 1 . . . . 174 LYS CB . 16673 1 846 . 1 1 174 174 LYS N N 15 119.367 0.106 . 1 . . . . 174 LYS N . 16673 1 847 . 1 1 175 175 LEU H H 1 8.678 0.002 . 1 . . . . 175 LEU H . 16673 1 848 . 1 1 175 175 LEU C C 13 174.188 0.000 . 1 . . . . 175 LEU C . 16673 1 849 . 1 1 175 175 LEU CA C 13 51.395 0.000 . 1 . . . . 175 LEU CA . 16673 1 850 . 1 1 175 175 LEU CB C 13 44.464 0.000 . 1 . . . . 175 LEU CB . 16673 1 851 . 1 1 175 175 LEU N N 15 117.974 0.044 . 1 . . . . 175 LEU N . 16673 1 852 . 1 1 176 176 PRO C C 13 178.548 0.000 . 1 . . . . 176 PRO C . 16673 1 853 . 1 1 176 176 PRO CA C 13 61.994 0.000 . 1 . . . . 176 PRO CA . 16673 1 854 . 1 1 176 176 PRO CB C 13 32.540 0.000 . 1 . . . . 176 PRO CB . 16673 1 855 . 1 1 177 177 SER H H 1 9.159 0.002 . 1 . . . . 177 SER H . 16673 1 856 . 1 1 177 177 SER C C 13 175.723 0.000 . 1 . . . . 177 SER C . 16673 1 857 . 1 1 177 177 SER CA C 13 62.580 0.000 . 1 . . . . 177 SER CA . 16673 1 858 . 1 1 177 177 SER N N 15 119.610 0.036 . 1 . . . . 177 SER N . 16673 1 859 . 1 1 178 178 GLU H H 1 9.641 0.002 . 1 . . . . 178 GLU H . 16673 1 860 . 1 1 178 178 GLU C C 13 178.484 0.000 . 1 . . . . 178 GLU C . 16673 1 861 . 1 1 178 178 GLU CA C 13 59.543 0.000 . 1 . . . . 178 GLU CA . 16673 1 862 . 1 1 178 178 GLU CB C 13 28.315 0.000 . 1 . . . . 178 GLU CB . 16673 1 863 . 1 1 178 178 GLU N N 15 118.943 0.000 . 1 . . . . 178 GLU N . 16673 1 864 . 1 1 179 179 LYS H H 1 7.285 0.002 . 1 . . . . 179 LYS H . 16673 1 865 . 1 1 179 179 LYS C C 13 177.212 0.000 . 1 . . . . 179 LYS C . 16673 1 866 . 1 1 179 179 LYS CA C 13 59.043 0.000 . 1 . . . . 179 LYS CA . 16673 1 867 . 1 1 179 179 LYS CB C 13 34.503 0.000 . 1 . . . . 179 LYS CB . 16673 1 868 . 1 1 179 179 LYS N N 15 116.332 0.045 . 1 . . . . 179 LYS N . 16673 1 869 . 1 1 180 180 ARG H H 1 8.088 0.002 . 1 . . . . 180 ARG H . 16673 1 870 . 1 1 180 180 ARG C C 13 178.179 0.000 . 1 . . . . 180 ARG C . 16673 1 871 . 1 1 180 180 ARG CA C 13 60.545 0.000 . 1 . . . . 180 ARG CA . 16673 1 872 . 1 1 180 180 ARG CB C 13 30.708 0.000 . 1 . . . . 180 ARG CB . 16673 1 873 . 1 1 180 180 ARG N N 15 120.650 0.000 . 1 . . . . 180 ARG N . 16673 1 874 . 1 1 181 181 GLU H H 1 8.111 0.002 . 1 . . . . 181 GLU H . 16673 1 875 . 1 1 181 181 GLU C C 13 178.926 0.000 . 1 . . . . 181 GLU C . 16673 1 876 . 1 1 181 181 GLU CA C 13 59.042 0.000 . 1 . . . . 181 GLU CA . 16673 1 877 . 1 1 181 181 GLU CB C 13 29.382 0.000 . 1 . . . . 181 GLU CB . 16673 1 878 . 1 1 181 181 GLU N N 15 114.160 0.000 . 1 . . . . 181 GLU N . 16673 1 879 . 1 1 182 182 LEU H H 1 6.719 0.002 . 1 . . . . 182 LEU H . 16673 1 880 . 1 1 182 182 LEU C C 13 176.963 0.000 . 1 . . . . 182 LEU C . 16673 1 881 . 1 1 182 182 LEU CA C 13 57.189 0.000 . 1 . . . . 182 LEU CA . 16673 1 882 . 1 1 182 182 LEU CB C 13 41.292 0.000 . 1 . . . . 182 LEU CB . 16673 1 883 . 1 1 182 182 LEU N N 15 119.073 0.000 . 1 . . . . 182 LEU N . 16673 1 884 . 1 1 183 183 LEU H H 1 6.935 0.002 . 1 . . . . 183 LEU H . 16673 1 885 . 1 1 183 183 LEU C C 13 177.903 0.000 . 1 . . . . 183 LEU C . 16673 1 886 . 1 1 183 183 LEU CA C 13 58.457 0.000 . 1 . . . . 183 LEU CA . 16673 1 887 . 1 1 183 183 LEU CB C 13 42.234 0.000 . 1 . . . . 183 LEU CB . 16673 1 888 . 1 1 183 183 LEU N N 15 117.502 0.000 . 1 . . . . 183 LEU N . 16673 1 889 . 1 1 184 184 ILE H H 1 8.325 0.001 . 1 . . . . 184 ILE H . 16673 1 890 . 1 1 184 184 ILE C C 13 176.995 0.000 . 1 . . . . 184 ILE C . 16673 1 891 . 1 1 184 184 ILE CA C 13 64.984 0.000 . 1 . . . . 184 ILE CA . 16673 1 892 . 1 1 184 184 ILE CB C 13 37.839 0.000 . 1 . . . . 184 ILE CB . 16673 1 893 . 1 1 184 184 ILE N N 15 115.243 0.063 . 1 . . . . 184 ILE N . 16673 1 894 . 1 1 185 185 ASP H H 1 7.863 0.002 . 1 . . . . 185 ASP H . 16673 1 895 . 1 1 185 185 ASP C C 13 178.138 0.000 . 1 . . . . 185 ASP C . 16673 1 896 . 1 1 185 185 ASP CA C 13 58.160 0.000 . 1 . . . . 185 ASP CA . 16673 1 897 . 1 1 185 185 ASP CB C 13 41.723 0.000 . 1 . . . . 185 ASP CB . 16673 1 898 . 1 1 185 185 ASP N N 15 119.533 0.020 . 1 . . . . 185 ASP N . 16673 1 899 . 1 1 186 186 TRP H H 1 7.957 0.002 . 1 . . . . 186 TRP H . 16673 1 900 . 1 1 186 186 TRP C C 13 177.848 0.000 . 1 . . . . 186 TRP C . 16673 1 901 . 1 1 186 186 TRP CA C 13 61.554 0.000 . 1 . . . . 186 TRP CA . 16673 1 902 . 1 1 186 186 TRP CB C 13 29.826 0.000 . 1 . . . . 186 TRP CB . 16673 1 903 . 1 1 186 186 TRP N N 15 116.365 0.033 . 1 . . . . 186 TRP N . 16673 1 904 . 1 1 187 187 MET H H 1 7.907 0.003 . 1 . . . . 187 MET H . 16673 1 905 . 1 1 187 187 MET C C 13 181.995 0.000 . 1 . . . . 187 MET C . 16673 1 906 . 1 1 187 187 MET CA C 13 59.144 0.000 . 1 . . . . 187 MET CA . 16673 1 907 . 1 1 187 187 MET CB C 13 35.291 0.000 . 1 . . . . 187 MET CB . 16673 1 908 . 1 1 187 187 MET N N 15 113.122 0.000 . 1 . . . . 187 MET N . 16673 1 909 . 1 1 188 188 LYS H H 1 9.514 0.002 . 1 . . . . 188 LYS H . 16673 1 910 . 1 1 188 188 LYS C C 13 179.313 0.000 . 1 . . . . 188 LYS C . 16673 1 911 . 1 1 188 188 LYS CA C 13 60.167 0.000 . 1 . . . . 188 LYS CA . 16673 1 912 . 1 1 188 188 LYS CB C 13 33.268 0.000 . 1 . . . . 188 LYS CB . 16673 1 913 . 1 1 188 188 LYS N N 15 123.658 0.027 . 1 . . . . 188 LYS N . 16673 1 914 . 1 1 189 189 ARG H H 1 7.513 0.001 . 1 . . . . 189 ARG H . 16673 1 915 . 1 1 189 189 ARG C C 13 175.691 0.000 . 1 . . . . 189 ARG C . 16673 1 916 . 1 1 189 189 ARG CA C 13 55.623 0.000 . 1 . . . . 189 ARG CA . 16673 1 917 . 1 1 189 189 ARG CB C 13 29.004 0.000 . 1 . . . . 189 ARG CB . 16673 1 918 . 1 1 189 189 ARG N N 15 116.560 0.077 . 1 . . . . 189 ARG N . 16673 1 919 . 1 1 190 190 ASN H H 1 7.225 0.003 . 1 . . . . 190 ASN H . 16673 1 920 . 1 1 190 190 ASN C C 13 176.686 0.000 . 1 . . . . 190 ASN C . 16673 1 921 . 1 1 190 190 ASN CA C 13 55.673 0.000 . 1 . . . . 190 ASN CA . 16673 1 922 . 1 1 190 190 ASN CB C 13 39.566 0.000 . 1 . . . . 190 ASN CB . 16673 1 923 . 1 1 190 190 ASN N N 15 119.261 0.000 . 1 . . . . 190 ASN N . 16673 1 924 . 1 1 191 191 THR H H 1 8.503 0.002 . 1 . . . . 191 THR H . 16673 1 925 . 1 1 191 191 THR C C 13 177.792 0.000 . 1 . . . . 191 THR C . 16673 1 926 . 1 1 191 191 THR CA C 13 62.817 0.000 . 1 . . . . 191 THR CA . 16673 1 927 . 1 1 191 191 THR CB C 13 70.786 0.000 . 1 . . . . 191 THR CB . 16673 1 928 . 1 1 191 191 THR N N 15 118.022 0.003 . 1 . . . . 191 THR N . 16673 1 929 . 1 1 192 192 THR H H 1 7.536 0.002 . 1 . . . . 192 THR H . 16673 1 930 . 1 1 192 192 THR C C 13 175.995 0.000 . 1 . . . . 192 THR C . 16673 1 931 . 1 1 192 192 THR CA C 13 63.070 0.000 . 1 . . . . 192 THR CA . 16673 1 932 . 1 1 192 192 THR CB C 13 69.669 0.000 . 1 . . . . 192 THR CB . 16673 1 933 . 1 1 192 192 THR N N 15 110.865 0.000 . 1 . . . . 192 THR N . 16673 1 934 . 1 1 193 193 GLY H H 1 8.971 0.004 . 1 . . . . 193 GLY H . 16673 1 935 . 1 1 193 193 GLY C C 13 176.769 0.000 . 1 . . . . 193 GLY C . 16673 1 936 . 1 1 193 193 GLY CA C 13 46.035 0.000 . 1 . . . . 193 GLY CA . 16673 1 937 . 1 1 193 193 GLY N N 15 112.391 0.000 . 1 . . . . 193 GLY N . 16673 1 938 . 1 1 194 194 ASP H H 1 8.862 0.003 . 1 . . . . 194 ASP H . 16673 1 939 . 1 1 194 194 ASP C C 13 175.912 0.000 . 1 . . . . 194 ASP C . 16673 1 940 . 1 1 194 194 ASP CA C 13 58.438 0.000 . 1 . . . . 194 ASP CA . 16673 1 941 . 1 1 194 194 ASP CB C 13 39.532 0.000 . 1 . . . . 194 ASP CB . 16673 1 942 . 1 1 194 194 ASP N N 15 124.056 0.000 . 1 . . . . 194 ASP N . 16673 1 943 . 1 1 195 195 ALA H H 1 8.325 0.002 . 1 . . . . 195 ALA H . 16673 1 944 . 1 1 195 195 ALA C C 13 176.161 0.000 . 1 . . . . 195 ALA C . 16673 1 945 . 1 1 195 195 ALA CA C 13 51.796 0.000 . 1 . . . . 195 ALA CA . 16673 1 946 . 1 1 195 195 ALA CB C 13 19.594 0.000 . 1 . . . . 195 ALA CB . 16673 1 947 . 1 1 195 195 ALA N N 15 117.362 0.029 . 1 . . . . 195 ALA N . 16673 1 948 . 1 1 196 196 LEU H H 1 6.792 0.002 . 1 . . . . 196 LEU H . 16673 1 949 . 1 1 196 196 LEU C C 13 175.608 0.000 . 1 . . . . 196 LEU C . 16673 1 950 . 1 1 196 196 LEU CA C 13 54.260 0.000 . 1 . . . . 196 LEU CA . 16673 1 951 . 1 1 196 196 LEU CB C 13 41.379 0.000 . 1 . . . . 196 LEU CB . 16673 1 952 . 1 1 196 196 LEU N N 15 118.505 0.021 . 1 . . . . 196 LEU N . 16673 1 953 . 1 1 197 197 ILE H H 1 7.913 0.003 . 1 . . . . 197 ILE H . 16673 1 954 . 1 1 197 197 ILE C C 13 179.203 0.000 . 1 . . . . 197 ILE C . 16673 1 955 . 1 1 197 197 ILE CA C 13 65.660 0.000 . 1 . . . . 197 ILE CA . 16673 1 956 . 1 1 197 197 ILE CB C 13 37.436 0.000 . 1 . . . . 197 ILE CB . 16673 1 957 . 1 1 197 197 ILE N N 15 127.320 0.025 . 1 . . . . 197 ILE N . 16673 1 958 . 1 1 198 198 ARG H H 1 8.975 0.002 . 1 . . . . 198 ARG H . 16673 1 959 . 1 1 198 198 ARG C C 13 176.714 0.000 . 1 . . . . 198 ARG C . 16673 1 960 . 1 1 198 198 ARG CA C 13 59.849 0.000 . 1 . . . . 198 ARG CA . 16673 1 961 . 1 1 198 198 ARG CB C 13 30.643 0.000 . 1 . . . . 198 ARG CB . 16673 1 962 . 1 1 198 198 ARG N N 15 116.105 0.001 . 1 . . . . 198 ARG N . 16673 1 963 . 1 1 199 199 ALA H H 1 7.115 0.003 . 1 . . . . 199 ALA H . 16673 1 964 . 1 1 199 199 ALA C C 13 178.401 0.000 . 1 . . . . 199 ALA C . 16673 1 965 . 1 1 199 199 ALA CA C 13 52.690 0.000 . 1 . . . . 199 ALA CA . 16673 1 966 . 1 1 199 199 ALA CB C 13 17.914 0.000 . 1 . . . . 199 ALA CB . 16673 1 967 . 1 1 199 199 ALA N N 15 118.228 0.024 . 1 . . . . 199 ALA N . 16673 1 968 . 1 1 200 200 GLY H H 1 8.180 0.002 . 1 . . . . 200 GLY H . 16673 1 969 . 1 1 200 200 GLY C C 13 172.119 0.000 . 1 . . . . 200 GLY C . 16673 1 970 . 1 1 200 200 GLY CA C 13 44.925 0.000 . 1 . . . . 200 GLY CA . 16673 1 971 . 1 1 200 200 GLY N N 15 106.252 0.000 . 1 . . . . 200 GLY N . 16673 1 972 . 1 1 201 201 VAL H H 1 6.619 0.001 . 1 . . . . 201 VAL H . 16673 1 973 . 1 1 201 201 VAL C C 13 172.843 0.000 . 1 . . . . 201 VAL C . 16673 1 974 . 1 1 201 201 VAL CA C 13 57.586 0.000 . 1 . . . . 201 VAL CA . 16673 1 975 . 1 1 201 201 VAL CB C 13 31.289 0.000 . 1 . . . . 201 VAL CB . 16673 1 976 . 1 1 201 201 VAL N N 15 110.464 0.000 . 1 . . . . 201 VAL N . 16673 1 977 . 1 1 202 202 PRO C C 13 175.408 0.000 . 1 . . . . 202 PRO C . 16673 1 978 . 1 1 202 202 PRO CA C 13 61.802 0.000 . 1 . . . . 202 PRO CA . 16673 1 979 . 1 1 202 202 PRO CB C 13 31.781 0.000 . 1 . . . . 202 PRO CB . 16673 1 980 . 1 1 203 203 GLU H H 1 8.201 0.002 . 1 . . . . 203 GLU H . 16673 1 981 . 1 1 203 203 GLU C C 13 177.697 0.000 . 1 . . . . 203 GLU C . 16673 1 982 . 1 1 203 203 GLU CA C 13 57.913 0.000 . 1 . . . . 203 GLU CA . 16673 1 983 . 1 1 203 203 GLU CB C 13 29.570 0.000 . 1 . . . . 203 GLU CB . 16673 1 984 . 1 1 203 203 GLU N N 15 120.530 0.029 . 1 . . . . 203 GLU N . 16673 1 985 . 1 1 204 204 GLY H H 1 8.838 0.002 . 1 . . . . 204 GLY H . 16673 1 986 . 1 1 204 204 GLY C C 13 174.778 0.000 . 1 . . . . 204 GLY C . 16673 1 987 . 1 1 204 204 GLY CA C 13 45.143 0.000 . 1 . . . . 204 GLY CA . 16673 1 988 . 1 1 204 204 GLY N N 15 112.152 0.030 . 1 . . . . 204 GLY N . 16673 1 989 . 1 1 205 205 TRP H H 1 7.796 0.002 . 1 . . . . 205 TRP H . 16673 1 990 . 1 1 205 205 TRP C C 13 175.818 0.000 . 1 . . . . 205 TRP C . 16673 1 991 . 1 1 205 205 TRP CA C 13 57.542 0.000 . 1 . . . . 205 TRP CA . 16673 1 992 . 1 1 205 205 TRP CB C 13 27.882 0.000 . 1 . . . . 205 TRP CB . 16673 1 993 . 1 1 205 205 TRP N N 15 122.161 0.025 . 1 . . . . 205 TRP N . 16673 1 994 . 1 1 206 206 GLU H H 1 8.493 0.004 . 1 . . . . 206 GLU H . 16673 1 995 . 1 1 206 206 GLU C C 13 175.829 0.000 . 1 . . . . 206 GLU C . 16673 1 996 . 1 1 206 206 GLU CA C 13 56.415 0.000 . 1 . . . . 206 GLU CA . 16673 1 997 . 1 1 206 206 GLU CB C 13 32.646 0.000 . 1 . . . . 206 GLU CB . 16673 1 998 . 1 1 206 206 GLU N N 15 123.251 0.000 . 1 . . . . 206 GLU N . 16673 1 999 . 1 1 207 207 VAL H H 1 8.784 0.002 . 1 . . . . 207 VAL H . 16673 1 1000 . 1 1 207 207 VAL C C 13 173.451 0.000 . 1 . . . . 207 VAL C . 16673 1 1001 . 1 1 207 207 VAL CA C 13 61.669 0.000 . 1 . . . . 207 VAL CA . 16673 1 1002 . 1 1 207 207 VAL CB C 13 36.032 0.000 . 1 . . . . 207 VAL CB . 16673 1 1003 . 1 1 207 207 VAL N N 15 122.011 0.026 . 1 . . . . 207 VAL N . 16673 1 1004 . 1 1 208 208 ALA H H 1 9.378 0.003 . 1 . . . . 208 ALA H . 16673 1 1005 . 1 1 208 208 ALA C C 13 175.387 0.000 . 1 . . . . 208 ALA C . 16673 1 1006 . 1 1 208 208 ALA CA C 13 50.109 0.000 . 1 . . . . 208 ALA CA . 16673 1 1007 . 1 1 208 208 ALA CB C 13 21.459 0.000 . 1 . . . . 208 ALA CB . 16673 1 1008 . 1 1 208 208 ALA N N 15 129.598 0.027 . 1 . . . . 208 ALA N . 16673 1 1009 . 1 1 209 209 ASP H H 1 8.034 0.003 . 1 . . . . 209 ASP H . 16673 1 1010 . 1 1 209 209 ASP C C 13 172.013 0.000 . 1 . . . . 209 ASP C . 16673 1 1011 . 1 1 209 209 ASP CA C 13 52.824 0.000 . 1 . . . . 209 ASP CA . 16673 1 1012 . 1 1 209 209 ASP CB C 13 45.276 0.000 . 1 . . . . 209 ASP CB . 16673 1 1013 . 1 1 209 209 ASP N N 15 121.115 0.000 . 1 . . . . 209 ASP N . 16673 1 1014 . 1 1 210 210 LYS H H 1 8.746 0.003 . 1 . . . . 210 LYS H . 16673 1 1015 . 1 1 210 210 LYS C C 13 173.617 0.000 . 1 . . . . 210 LYS C . 16673 1 1016 . 1 1 210 210 LYS CA C 13 55.644 0.000 . 1 . . . . 210 LYS CA . 16673 1 1017 . 1 1 210 210 LYS CB C 13 34.321 0.000 . 1 . . . . 210 LYS CB . 16673 1 1018 . 1 1 210 210 LYS N N 15 116.103 0.000 . 1 . . . . 210 LYS N . 16673 1 1019 . 1 1 211 211 THR H H 1 6.112 0.004 . 1 . . . . 211 THR H . 16673 1 1020 . 1 1 211 211 THR C C 13 176.520 0.000 . 1 . . . . 211 THR C . 16673 1 1021 . 1 1 211 211 THR CA C 13 61.340 0.000 . 1 . . . . 211 THR CA . 16673 1 1022 . 1 1 211 211 THR CB C 13 71.652 0.000 . 1 . . . . 211 THR CB . 16673 1 1023 . 1 1 211 211 THR N N 15 113.984 0.048 . 1 . . . . 211 THR N . 16673 1 1024 . 1 1 212 212 GLY H H 1 8.571 0.001 . 1 . . . . 212 GLY H . 16673 1 1025 . 1 1 212 212 GLY C C 13 171.571 0.000 . 1 . . . . 212 GLY C . 16673 1 1026 . 1 1 212 212 GLY CA C 13 47.698 0.000 . 1 . . . . 212 GLY CA . 16673 1 1027 . 1 1 212 212 GLY N N 15 103.512 0.000 . 1 . . . . 212 GLY N . 16673 1 1028 . 1 1 214 214 GLY H H 1 8.700 0.004 . 1 . . . . 214 GLY H . 16673 1 1029 . 1 1 214 214 GLY C C 13 173.313 0.000 . 1 . . . . 214 GLY C . 16673 1 1030 . 1 1 214 214 GLY CA C 13 44.753 0.000 . 1 . . . . 214 GLY CA . 16673 1 1031 . 1 1 214 214 GLY N N 15 107.698 0.064 . 1 . . . . 214 GLY N . 16673 1 1032 . 1 1 215 215 SER H H 1 8.151 0.003 . 1 . . . . 215 SER H . 16673 1 1033 . 1 1 215 215 SER C C 13 174.051 0.000 . 1 . . . . 215 SER C . 16673 1 1034 . 1 1 215 215 SER CA C 13 59.496 0.000 . 1 . . . . 215 SER CA . 16673 1 1035 . 1 1 215 215 SER CB C 13 63.788 0.000 . 1 . . . . 215 SER CB . 16673 1 1036 . 1 1 215 215 SER N N 15 114.766 0.000 . 1 . . . . 215 SER N . 16673 1 1037 . 1 1 216 216 TYR H H 1 8.909 0.003 . 1 . . . . 216 TYR H . 16673 1 1038 . 1 1 216 216 TYR C C 13 175.586 0.000 . 1 . . . . 216 TYR C . 16673 1 1039 . 1 1 216 216 TYR CA C 13 59.286 0.000 . 1 . . . . 216 TYR CA . 16673 1 1040 . 1 1 216 216 TYR CB C 13 33.751 0.000 . 1 . . . . 216 TYR CB . 16673 1 1041 . 1 1 216 216 TYR N N 15 116.351 0.007 . 1 . . . . 216 TYR N . 16673 1 1042 . 1 1 217 217 GLY H H 1 8.924 0.003 . 1 . . . . 217 GLY H . 16673 1 1043 . 1 1 217 217 GLY C C 13 173.285 0.000 . 1 . . . . 217 GLY C . 16673 1 1044 . 1 1 217 217 GLY CA C 13 47.927 0.000 . 1 . . . . 217 GLY CA . 16673 1 1045 . 1 1 217 217 GLY N N 15 104.591 0.000 . 1 . . . . 217 GLY N . 16673 1 1046 . 1 1 218 218 THR H H 1 7.319 0.003 . 1 . . . . 218 THR H . 16673 1 1047 . 1 1 218 218 THR C C 13 174.364 0.000 . 1 . . . . 218 THR C . 16673 1 1048 . 1 1 218 218 THR CA C 13 63.964 0.000 . 1 . . . . 218 THR CA . 16673 1 1049 . 1 1 218 218 THR CB C 13 69.911 0.000 . 1 . . . . 218 THR CB . 16673 1 1050 . 1 1 218 218 THR N N 15 117.288 0.000 . 1 . . . . 218 THR N . 16673 1 1051 . 1 1 219 219 ARG H H 1 8.065 0.002 . 1 . . . . 219 ARG H . 16673 1 1052 . 1 1 219 219 ARG C C 13 172.428 0.000 . 1 . . . . 219 ARG C . 16673 1 1053 . 1 1 219 219 ARG CA C 13 53.849 0.000 . 1 . . . . 219 ARG CA . 16673 1 1054 . 1 1 219 219 ARG CB C 13 32.254 0.000 . 1 . . . . 219 ARG CB . 16673 1 1055 . 1 1 219 219 ARG N N 15 127.466 0.032 . 1 . . . . 219 ARG N . 16673 1 1056 . 1 1 220 220 ASN H H 1 8.457 0.003 . 1 . . . . 220 ASN H . 16673 1 1057 . 1 1 220 220 ASN C C 13 175.135 0.000 . 1 . . . . 220 ASN C . 16673 1 1058 . 1 1 220 220 ASN CA C 13 50.473 0.000 . 1 . . . . 220 ASN CA . 16673 1 1059 . 1 1 220 220 ASN CB C 13 45.770 0.000 . 1 . . . . 220 ASN CB . 16673 1 1060 . 1 1 220 220 ASN N N 15 122.751 0.000 . 1 . . . . 220 ASN N . 16673 1 1061 . 1 1 221 221 ASP H H 1 9.382 0.003 . 1 . . . . 221 ASP H . 16673 1 1062 . 1 1 221 221 ASP C C 13 173.064 0.000 . 1 . . . . 221 ASP C . 16673 1 1063 . 1 1 221 221 ASP CA C 13 54.098 0.000 . 1 . . . . 221 ASP CA . 16673 1 1064 . 1 1 221 221 ASP CB C 13 43.461 0.000 . 1 . . . . 221 ASP CB . 16673 1 1065 . 1 1 221 221 ASP N N 15 119.135 0.021 . 1 . . . . 221 ASP N . 16673 1 1066 . 1 1 222 222 ILE H H 1 8.099 0.002 . 1 . . . . 222 ILE H . 16673 1 1067 . 1 1 222 222 ILE C C 13 174.034 0.000 . 1 . . . . 222 ILE C . 16673 1 1068 . 1 1 222 222 ILE CA C 13 58.667 0.000 . 1 . . . . 222 ILE CA . 16673 1 1069 . 1 1 222 222 ILE CB C 13 40.326 0.000 . 1 . . . . 222 ILE CB . 16673 1 1070 . 1 1 222 222 ILE N N 15 117.979 0.057 . 1 . . . . 222 ILE N . 16673 1 1071 . 1 1 223 223 ALA H H 1 9.646 0.002 . 1 . . . . 223 ALA H . 16673 1 1072 . 1 1 223 223 ALA C C 13 175.110 0.000 . 1 . . . . 223 ALA C . 16673 1 1073 . 1 1 223 223 ALA CA C 13 51.479 0.000 . 1 . . . . 223 ALA CA . 16673 1 1074 . 1 1 223 223 ALA CB C 13 26.276 0.000 . 1 . . . . 223 ALA CB . 16673 1 1075 . 1 1 223 223 ALA N N 15 123.670 0.032 . 1 . . . . 223 ALA N . 16673 1 1076 . 1 1 224 224 ILE H H 1 8.665 0.003 . 1 . . . . 224 ILE H . 16673 1 1077 . 1 1 224 224 ILE C C 13 174.170 0.000 . 1 . . . . 224 ILE C . 16673 1 1078 . 1 1 224 224 ILE CA C 13 59.861 0.000 . 1 . . . . 224 ILE CA . 16673 1 1079 . 1 1 224 224 ILE CB C 13 39.260 0.000 . 1 . . . . 224 ILE CB . 16673 1 1080 . 1 1 224 224 ILE N N 15 117.579 0.000 . 1 . . . . 224 ILE N . 16673 1 1081 . 1 1 225 225 ILE H H 1 9.074 0.002 . 1 . . . . 225 ILE H . 16673 1 1082 . 1 1 225 225 ILE C C 13 174.281 0.000 . 1 . . . . 225 ILE C . 16673 1 1083 . 1 1 225 225 ILE CA C 13 58.905 0.000 . 1 . . . . 225 ILE CA . 16673 1 1084 . 1 1 225 225 ILE CB C 13 41.671 0.000 . 1 . . . . 225 ILE CB . 16673 1 1085 . 1 1 225 225 ILE N N 15 123.028 0.000 . 1 . . . . 225 ILE N . 16673 1 1086 . 1 1 226 226 TRP H H 1 9.613 0.003 . 1 . . . . 226 TRP H . 16673 1 1087 . 1 1 226 226 TRP C C 13 173.949 0.000 . 1 . . . . 226 TRP C . 16673 1 1088 . 1 1 226 226 TRP CA C 13 56.133 0.000 . 1 . . . . 226 TRP CA . 16673 1 1089 . 1 1 226 226 TRP CB C 13 31.060 0.000 . 1 . . . . 226 TRP CB . 16673 1 1090 . 1 1 226 226 TRP N N 15 126.154 0.034 . 1 . . . . 226 TRP N . 16673 1 1091 . 1 1 228 228 PRO C C 13 177.270 0.000 . 1 . . . . 228 PRO C . 16673 1 1092 . 1 1 228 228 PRO CA C 13 64.416 0.000 . 1 . . . . 228 PRO CA . 16673 1 1093 . 1 1 228 228 PRO CB C 13 31.321 0.000 . 1 . . . . 228 PRO CB . 16673 1 1094 . 1 1 229 229 LYS H H 1 7.949 0.003 . 1 . . . . 229 LYS H . 16673 1 1095 . 1 1 229 229 LYS C C 13 175.668 0.000 . 1 . . . . 229 LYS C . 16673 1 1096 . 1 1 229 229 LYS CA C 13 56.125 0.000 . 1 . . . . 229 LYS CA . 16673 1 1097 . 1 1 229 229 LYS CB C 13 32.386 0.000 . 1 . . . . 229 LYS CB . 16673 1 1098 . 1 1 229 229 LYS N N 15 116.389 0.029 . 1 . . . . 229 LYS N . 16673 1 1099 . 1 1 230 230 GLY H H 1 7.889 0.002 . 1 . . . . 230 GLY H . 16673 1 1100 . 1 1 230 230 GLY C C 13 172.926 0.000 . 1 . . . . 230 GLY C . 16673 1 1101 . 1 1 230 230 GLY CA C 13 44.110 0.000 . 1 . . . . 230 GLY CA . 16673 1 1102 . 1 1 230 230 GLY N N 15 107.873 0.000 . 1 . . . . 230 GLY N . 16673 1 1103 . 1 1 231 231 ASP H H 1 7.921 0.002 . 1 . . . . 231 ASP H . 16673 1 1104 . 1 1 231 231 ASP C C 13 173.617 0.000 . 1 . . . . 231 ASP C . 16673 1 1105 . 1 1 231 231 ASP CA C 13 53.083 0.000 . 1 . . . . 231 ASP CA . 16673 1 1106 . 1 1 231 231 ASP CB C 13 41.339 0.000 . 1 . . . . 231 ASP CB . 16673 1 1107 . 1 1 231 231 ASP N N 15 119.812 0.039 . 1 . . . . 231 ASP N . 16673 1 1108 . 1 1 232 232 PRO C C 13 176.267 0.000 . 1 . . . . 232 PRO C . 16673 1 1109 . 1 1 232 232 PRO CA C 13 62.536 0.000 . 1 . . . . 232 PRO CA . 16673 1 1110 . 1 1 232 232 PRO CB C 13 31.849 0.000 . 1 . . . . 232 PRO CB . 16673 1 1111 . 1 1 233 233 VAL H H 1 9.136 0.004 . 1 . . . . 233 VAL H . 16673 1 1112 . 1 1 233 233 VAL C C 13 174.695 0.000 . 1 . . . . 233 VAL C . 16673 1 1113 . 1 1 233 233 VAL CA C 13 59.820 0.000 . 1 . . . . 233 VAL CA . 16673 1 1114 . 1 1 233 233 VAL CB C 13 34.813 0.000 . 1 . . . . 233 VAL CB . 16673 1 1115 . 1 1 233 233 VAL N N 15 123.329 0.000 . 1 . . . . 233 VAL N . 16673 1 1116 . 1 1 234 234 VAL H H 1 8.825 0.002 . 1 . . . . 234 VAL H . 16673 1 1117 . 1 1 234 234 VAL C C 13 174.004 0.000 . 1 . . . . 234 VAL C . 16673 1 1118 . 1 1 234 234 VAL CA C 13 60.464 0.000 . 1 . . . . 234 VAL CA . 16673 1 1119 . 1 1 234 234 VAL CB C 13 33.357 0.000 . 1 . . . . 234 VAL CB . 16673 1 1120 . 1 1 234 234 VAL N N 15 126.089 0.000 . 1 . . . . 234 VAL N . 16673 1 1121 . 1 1 235 235 LEU H H 1 9.201 0.001 . 1 . . . . 235 LEU H . 16673 1 1122 . 1 1 235 235 LEU C C 13 172.815 0.000 . 1 . . . . 235 LEU C . 16673 1 1123 . 1 1 235 235 LEU CA C 13 54.209 0.000 . 1 . . . . 235 LEU CA . 16673 1 1124 . 1 1 235 235 LEU CB C 13 46.648 0.000 . 1 . . . . 235 LEU CB . 16673 1 1125 . 1 1 235 235 LEU N N 15 126.823 0.033 . 1 . . . . 235 LEU N . 16673 1 1126 . 1 1 236 236 ALA H H 1 9.191 0.003 . 1 . . . . 236 ALA H . 16673 1 1127 . 1 1 236 236 ALA C C 13 174.198 0.000 . 1 . . . . 236 ALA C . 16673 1 1128 . 1 1 236 236 ALA CA C 13 51.263 0.000 . 1 . . . . 236 ALA CA . 16673 1 1129 . 1 1 236 236 ALA CB C 13 23.243 0.000 . 1 . . . . 236 ALA CB . 16673 1 1130 . 1 1 236 236 ALA N N 15 126.332 0.000 . 1 . . . . 236 ALA N . 16673 1 1131 . 1 1 237 237 VAL H H 1 8.458 0.003 . 1 . . . . 237 VAL H . 16673 1 1132 . 1 1 237 237 VAL C C 13 172.456 0.000 . 1 . . . . 237 VAL C . 16673 1 1133 . 1 1 237 237 VAL CA C 13 61.496 0.000 . 1 . . . . 237 VAL CA . 16673 1 1134 . 1 1 237 237 VAL CB C 13 32.797 0.000 . 1 . . . . 237 VAL CB . 16673 1 1135 . 1 1 237 237 VAL N N 15 120.777 0.000 . 1 . . . . 237 VAL N . 16673 1 1136 . 1 1 238 238 LEU H H 1 9.390 0.002 . 1 . . . . 238 LEU H . 16673 1 1137 . 1 1 238 238 LEU C C 13 175.241 0.000 . 1 . . . . 238 LEU C . 16673 1 1138 . 1 1 238 238 LEU CA C 13 51.667 0.000 . 1 . . . . 238 LEU CA . 16673 1 1139 . 1 1 238 238 LEU CB C 13 41.616 0.000 . 1 . . . . 238 LEU CB . 16673 1 1140 . 1 1 238 238 LEU N N 15 127.206 0.020 . 1 . . . . 238 LEU N . 16673 1 1141 . 1 1 239 239 SER H H 1 7.816 0.003 . 1 . . . . 239 SER H . 16673 1 1142 . 1 1 239 239 SER C C 13 173.189 0.000 . 1 . . . . 239 SER C . 16673 1 1143 . 1 1 239 239 SER CA C 13 58.059 0.000 . 1 . . . . 239 SER CA . 16673 1 1144 . 1 1 239 239 SER CB C 13 68.674 0.000 . 1 . . . . 239 SER CB . 16673 1 1145 . 1 1 239 239 SER N N 15 112.434 0.032 . 1 . . . . 239 SER N . 16673 1 1146 . 1 1 240 240 SER H H 1 8.923 0.002 . 1 . . . . 240 SER H . 16673 1 1147 . 1 1 240 240 SER C C 13 172.234 0.000 . 1 . . . . 240 SER C . 16673 1 1148 . 1 1 240 240 SER CA C 13 58.591 0.000 . 1 . . . . 240 SER CA . 16673 1 1149 . 1 1 240 240 SER CB C 13 66.395 0.000 . 1 . . . . 240 SER CB . 16673 1 1150 . 1 1 240 240 SER N N 15 111.554 0.000 . 1 . . . . 240 SER N . 16673 1 1151 . 1 1 241 241 ARG H H 1 9.179 0.004 . 1 . . . . 241 ARG H . 16673 1 1152 . 1 1 241 241 ARG C C 13 176.319 0.000 . 1 . . . . 241 ARG C . 16673 1 1153 . 1 1 241 241 ARG CA C 13 55.525 0.000 . 1 . . . . 241 ARG CA . 16673 1 1154 . 1 1 241 241 ARG CB C 13 32.433 0.000 . 1 . . . . 241 ARG CB . 16673 1 1155 . 1 1 241 241 ARG N N 15 118.001 0.030 . 1 . . . . 241 ARG N . 16673 1 1156 . 1 1 242 242 ASP H H 1 8.378 0.003 . 1 . . . . 242 ASP H . 16673 1 1157 . 1 1 242 242 ASP C C 13 176.398 0.000 . 1 . . . . 242 ASP C . 16673 1 1158 . 1 1 242 242 ASP CA C 13 55.632 0.000 . 1 . . . . 242 ASP CA . 16673 1 1159 . 1 1 242 242 ASP CB C 13 41.800 0.000 . 1 . . . . 242 ASP CB . 16673 1 1160 . 1 1 242 242 ASP N N 15 115.970 0.047 . 1 . . . . 242 ASP N . 16673 1 1161 . 1 1 243 243 LYS H H 1 7.180 0.002 . 1 . . . . 243 LYS H . 16673 1 1162 . 1 1 243 243 LYS C C 13 177.143 0.000 . 1 . . . . 243 LYS C . 16673 1 1163 . 1 1 243 243 LYS CA C 13 54.659 0.000 . 1 . . . . 243 LYS CA . 16673 1 1164 . 1 1 243 243 LYS CB C 13 35.082 0.000 . 1 . . . . 243 LYS CB . 16673 1 1165 . 1 1 243 243 LYS N N 15 116.893 0.073 . 1 . . . . 243 LYS N . 16673 1 1166 . 1 1 244 244 LYS H H 1 8.631 0.002 . 1 . . . . 244 LYS H . 16673 1 1167 . 1 1 244 244 LYS C C 13 177.335 0.000 . 1 . . . . 244 LYS C . 16673 1 1168 . 1 1 244 244 LYS CA C 13 59.583 0.000 . 1 . . . . 244 LYS CA . 16673 1 1169 . 1 1 244 244 LYS CB C 13 32.633 0.000 . 1 . . . . 244 LYS CB . 16673 1 1170 . 1 1 244 244 LYS N N 15 125.694 0.047 . 1 . . . . 244 LYS N . 16673 1 1171 . 1 1 245 245 ASP H H 1 7.834 0.007 . 1 . . . . 245 ASP H . 16673 1 1172 . 1 1 245 245 ASP C C 13 175.613 0.000 . 1 . . . . 245 ASP C . 16673 1 1173 . 1 1 245 245 ASP CA C 13 52.731 0.000 . 1 . . . . 245 ASP CA . 16673 1 1174 . 1 1 245 245 ASP CB C 13 39.577 0.014 . 1 . . . . 245 ASP CB . 16673 1 1175 . 1 1 245 245 ASP N N 15 120.943 0.069 . 1 . . . . 245 ASP N . 16673 1 1176 . 1 1 246 246 ALA H H 1 7.238 0.002 . 1 . . . . 246 ALA H . 16673 1 1177 . 1 1 246 246 ALA C C 13 177.322 0.000 . 1 . . . . 246 ALA C . 16673 1 1178 . 1 1 246 246 ALA CA C 13 52.796 0.000 . 1 . . . . 246 ALA CA . 16673 1 1179 . 1 1 246 246 ALA CB C 13 20.518 0.000 . 1 . . . . 246 ALA CB . 16673 1 1180 . 1 1 246 246 ALA N N 15 121.892 0.032 . 1 . . . . 246 ALA N . 16673 1 1181 . 1 1 247 247 LYS H H 1 8.374 0.003 . 1 . . . . 247 LYS H . 16673 1 1182 . 1 1 247 247 LYS C C 13 176.574 0.000 . 1 . . . . 247 LYS C . 16673 1 1183 . 1 1 247 247 LYS CA C 13 55.110 0.000 . 1 . . . . 247 LYS CA . 16673 1 1184 . 1 1 247 247 LYS CB C 13 33.045 0.000 . 1 . . . . 247 LYS CB . 16673 1 1185 . 1 1 247 247 LYS N N 15 120.485 0.022 . 1 . . . . 247 LYS N . 16673 1 1186 . 1 1 248 248 TYR H H 1 7.104 0.002 . 1 . . . . 248 TYR H . 16673 1 1187 . 1 1 248 248 TYR C C 13 174.136 0.000 . 1 . . . . 248 TYR C . 16673 1 1188 . 1 1 248 248 TYR CA C 13 55.215 0.000 . 1 . . . . 248 TYR CA . 16673 1 1189 . 1 1 248 248 TYR CB C 13 40.986 0.000 . 1 . . . . 248 TYR CB . 16673 1 1190 . 1 1 248 248 TYR N N 15 117.085 0.000 . 1 . . . . 248 TYR N . 16673 1 1191 . 1 1 249 249 ASP H H 1 9.200 0.002 . 1 . . . . 249 ASP H . 16673 1 1192 . 1 1 249 249 ASP C C 13 176.887 0.000 . 1 . . . . 249 ASP C . 16673 1 1193 . 1 1 249 249 ASP CA C 13 52.905 0.000 . 1 . . . . 249 ASP CA . 16673 1 1194 . 1 1 249 249 ASP CB C 13 43.432 0.000 . 1 . . . . 249 ASP CB . 16673 1 1195 . 1 1 249 249 ASP N N 15 120.739 0.051 . 1 . . . . 249 ASP N . 16673 1 1196 . 1 1 250 250 ASP H H 1 9.021 0.002 . 1 . . . . 250 ASP H . 16673 1 1197 . 1 1 250 250 ASP C C 13 177.231 0.000 . 1 . . . . 250 ASP C . 16673 1 1198 . 1 1 250 250 ASP CA C 13 58.063 0.000 . 1 . . . . 250 ASP CA . 16673 1 1199 . 1 1 250 250 ASP CB C 13 41.322 0.000 . 1 . . . . 250 ASP CB . 16673 1 1200 . 1 1 250 250 ASP N N 15 128.805 0.040 . 1 . . . . 250 ASP N . 16673 1 1201 . 1 1 251 251 LYS H H 1 8.646 0.002 . 1 . . . . 251 LYS H . 16673 1 1202 . 1 1 251 251 LYS C C 13 177.574 0.000 . 1 . . . . 251 LYS C . 16673 1 1203 . 1 1 251 251 LYS CA C 13 58.852 0.000 . 1 . . . . 251 LYS CA . 16673 1 1204 . 1 1 251 251 LYS CB C 13 32.266 0.000 . 1 . . . . 251 LYS CB . 16673 1 1205 . 1 1 251 251 LYS N N 15 117.418 0.000 . 1 . . . . 251 LYS N . 16673 1 1206 . 1 1 252 252 LEU H H 1 7.042 0.002 . 1 . . . . 252 LEU H . 16673 1 1207 . 1 1 252 252 LEU C C 13 177.231 0.000 . 1 . . . . 252 LEU C . 16673 1 1208 . 1 1 252 252 LEU CA C 13 57.963 0.000 . 1 . . . . 252 LEU CA . 16673 1 1209 . 1 1 252 252 LEU CB C 13 40.810 0.000 . 1 . . . . 252 LEU CB . 16673 1 1210 . 1 1 252 252 LEU N N 15 117.716 0.000 . 1 . . . . 252 LEU N . 16673 1 1211 . 1 1 253 253 ILE H H 1 6.980 0.002 . 1 . . . . 253 ILE H . 16673 1 1212 . 1 1 253 253 ILE C C 13 179.293 0.000 . 1 . . . . 253 ILE C . 16673 1 1213 . 1 1 253 253 ILE CA C 13 62.926 0.000 . 1 . . . . 253 ILE CA . 16673 1 1214 . 1 1 253 253 ILE CB C 13 35.600 0.000 . 1 . . . . 253 ILE CB . 16673 1 1215 . 1 1 253 253 ILE N N 15 115.500 0.028 . 1 . . . . 253 ILE N . 16673 1 1216 . 1 1 254 254 ALA H H 1 7.326 0.002 . 1 . . . . 254 ALA H . 16673 1 1217 . 1 1 254 254 ALA C C 13 179.700 0.000 . 1 . . . . 254 ALA C . 16673 1 1218 . 1 1 254 254 ALA CA C 13 56.370 0.000 . 1 . . . . 254 ALA CA . 16673 1 1219 . 1 1 254 254 ALA CB C 13 18.673 0.000 . 1 . . . . 254 ALA CB . 16673 1 1220 . 1 1 254 254 ALA N N 15 125.703 0.021 . 1 . . . . 254 ALA N . 16673 1 1221 . 1 1 255 255 GLU H H 1 8.738 0.002 . 1 . . . . 255 GLU H . 16673 1 1222 . 1 1 255 255 GLU C C 13 180.137 0.000 . 1 . . . . 255 GLU C . 16673 1 1223 . 1 1 255 255 GLU CA C 13 58.770 0.000 . 1 . . . . 255 GLU CA . 16673 1 1224 . 1 1 255 255 GLU CB C 13 29.355 0.000 . 1 . . . . 255 GLU CB . 16673 1 1225 . 1 1 255 255 GLU N N 15 115.049 0.081 . 1 . . . . 255 GLU N . 16673 1 1226 . 1 1 256 256 ALA H H 1 8.543 0.002 . 1 . . . . 256 ALA H . 16673 1 1227 . 1 1 256 256 ALA C C 13 179.387 0.000 . 1 . . . . 256 ALA C . 16673 1 1228 . 1 1 256 256 ALA CA C 13 55.492 0.000 . 1 . . . . 256 ALA CA . 16673 1 1229 . 1 1 256 256 ALA CB C 13 18.171 0.000 . 1 . . . . 256 ALA CB . 16673 1 1230 . 1 1 256 256 ALA N N 15 122.782 0.000 . 1 . . . . 256 ALA N . 16673 1 1231 . 1 1 257 257 THR H H 1 7.871 0.002 . 1 . . . . 257 THR H . 16673 1 1232 . 1 1 257 257 THR C C 13 175.358 0.000 . 1 . . . . 257 THR C . 16673 1 1233 . 1 1 257 257 THR CA C 13 68.237 0.000 . 1 . . . . 257 THR CA . 16673 1 1234 . 1 1 257 257 THR N N 15 115.324 0.033 . 1 . . . . 257 THR N . 16673 1 1235 . 1 1 258 258 LYS H H 1 7.575 0.002 . 1 . . . . 258 LYS H . 16673 1 1236 . 1 1 258 258 LYS C C 13 179.916 0.000 . 1 . . . . 258 LYS C . 16673 1 1237 . 1 1 258 258 LYS CA C 13 60.304 0.000 . 1 . . . . 258 LYS CA . 16673 1 1238 . 1 1 258 258 LYS CB C 13 32.659 0.000 . 1 . . . . 258 LYS CB . 16673 1 1239 . 1 1 258 258 LYS N N 15 120.481 0.022 . 1 . . . . 258 LYS N . 16673 1 1240 . 1 1 259 259 VAL H H 1 7.277 0.002 . 1 . . . . 259 VAL H . 16673 1 1241 . 1 1 259 259 VAL C C 13 177.824 0.000 . 1 . . . . 259 VAL C . 16673 1 1242 . 1 1 259 259 VAL CA C 13 66.390 0.000 . 1 . . . . 259 VAL CA . 16673 1 1243 . 1 1 259 259 VAL CB C 13 30.818 0.000 . 1 . . . . 259 VAL CB . 16673 1 1244 . 1 1 259 259 VAL N N 15 118.924 0.000 . 1 . . . . 259 VAL N . 16673 1 1245 . 1 1 260 260 VAL H H 1 7.803 0.002 . 1 . . . . 260 VAL H . 16673 1 1246 . 1 1 260 260 VAL C C 13 176.699 0.000 . 1 . . . . 260 VAL C . 16673 1 1247 . 1 1 260 260 VAL CA C 13 67.550 0.000 . 1 . . . . 260 VAL CA . 16673 1 1248 . 1 1 260 260 VAL CB C 13 31.029 0.000 . 1 . . . . 260 VAL CB . 16673 1 1249 . 1 1 260 260 VAL N N 15 120.298 0.024 . 1 . . . . 260 VAL N . 16673 1 1250 . 1 1 261 261 VAL H H 1 8.311 0.003 . 1 . . . . 261 VAL H . 16673 1 1251 . 1 1 261 261 VAL C C 13 178.290 0.000 . 1 . . . . 261 VAL C . 16673 1 1252 . 1 1 261 261 VAL CA C 13 67.193 0.000 . 1 . . . . 261 VAL CA . 16673 1 1253 . 1 1 261 261 VAL CB C 13 31.386 0.000 . 1 . . . . 261 VAL CB . 16673 1 1254 . 1 1 261 261 VAL N N 15 117.507 0.068 . 1 . . . . 261 VAL N . 16673 1 1255 . 1 1 262 262 LYS H H 1 7.538 0.002 . 1 . . . . 262 LYS H . 16673 1 1256 . 1 1 262 262 LYS C C 13 179.534 0.000 . 1 . . . . 262 LYS C . 16673 1 1257 . 1 1 262 262 LYS CA C 13 59.409 0.000 . 1 . . . . 262 LYS CA . 16673 1 1258 . 1 1 262 262 LYS CB C 13 32.261 0.000 . 1 . . . . 262 LYS CB . 16673 1 1259 . 1 1 262 262 LYS N N 15 119.066 0.000 . 1 . . . . 262 LYS N . 16673 1 1260 . 1 1 263 263 ALA H H 1 8.409 0.002 . 1 . . . . 263 ALA H . 16673 1 1261 . 1 1 263 263 ALA C C 13 179.731 0.000 . 1 . . . . 263 ALA C . 16673 1 1262 . 1 1 263 263 ALA CA C 13 54.580 0.000 . 1 . . . . 263 ALA CA . 16673 1 1263 . 1 1 263 263 ALA CB C 13 18.997 0.000 . 1 . . . . 263 ALA CB . 16673 1 1264 . 1 1 263 263 ALA N N 15 122.626 0.009 . 1 . . . . 263 ALA N . 16673 1 1265 . 1 1 264 264 LEU H H 1 7.977 0.002 . 1 . . . . 264 LEU H . 16673 1 1266 . 1 1 264 264 LEU C C 13 177.184 0.000 . 1 . . . . 264 LEU C . 16673 1 1267 . 1 1 264 264 LEU CA C 13 55.590 0.000 . 1 . . . . 264 LEU CA . 16673 1 1268 . 1 1 264 264 LEU CB C 13 42.202 0.000 . 1 . . . . 264 LEU CB . 16673 1 1269 . 1 1 264 264 LEU N N 15 116.198 0.069 . 1 . . . . 264 LEU N . 16673 1 1270 . 1 1 265 265 ASN H H 1 7.991 0.003 . 1 . . . . 265 ASN H . 16673 1 1271 . 1 1 265 265 ASN C C 13 175.627 0.000 . 1 . . . . 265 ASN C . 16673 1 1272 . 1 1 265 265 ASN CA C 13 53.948 0.000 . 1 . . . . 265 ASN CA . 16673 1 1273 . 1 1 265 265 ASN CB C 13 38.127 0.000 . 1 . . . . 265 ASN CB . 16673 1 1274 . 1 1 265 265 ASN N N 15 116.988 0.059 . 1 . . . . 265 ASN N . 16673 1 1275 . 1 1 266 266 MET H H 1 8.096 0.001 . 1 . . . . 266 MET H . 16673 1 1276 . 1 1 266 266 MET C C 13 176.050 0.000 . 1 . . . . 266 MET C . 16673 1 1277 . 1 1 266 266 MET CA C 13 56.390 0.000 . 1 . . . . 266 MET CA . 16673 1 1278 . 1 1 266 266 MET CB C 13 33.313 0.000 . 1 . . . . 266 MET CB . 16673 1 1279 . 1 1 266 266 MET N N 15 118.009 0.000 . 1 . . . . 266 MET N . 16673 1 1280 . 1 1 267 267 ASN H H 1 8.498 0.002 . 1 . . . . 267 ASN H . 16673 1 1281 . 1 1 267 267 ASN C C 13 175.443 0.000 . 1 . . . . 267 ASN C . 16673 1 1282 . 1 1 267 267 ASN CA C 13 53.486 0.000 . 1 . . . . 267 ASN CA . 16673 1 1283 . 1 1 267 267 ASN CB C 13 39.091 0.000 . 1 . . . . 267 ASN CB . 16673 1 1284 . 1 1 267 267 ASN N N 15 118.018 0.007 . 1 . . . . 267 ASN N . 16673 1 1285 . 1 1 268 268 GLY H H 1 8.252 0.002 . 1 . . . . 268 GLY H . 16673 1 1286 . 1 1 268 268 GLY C C 13 173.147 0.000 . 1 . . . . 268 GLY C . 16673 1 1287 . 1 1 268 268 GLY CA C 13 45.537 0.000 . 1 . . . . 268 GLY CA . 16673 1 1288 . 1 1 268 268 GLY N N 15 109.156 0.000 . 1 . . . . 268 GLY N . 16673 1 1289 . 1 1 269 269 LYS H H 1 7.759 0.001 . 1 . . . . 269 LYS H . 16673 1 1290 . 1 1 269 269 LYS C C 13 181.282 0.000 . 1 . . . . 269 LYS C . 16673 1 1291 . 1 1 269 269 LYS CA C 13 57.496 0.000 . 1 . . . . 269 LYS CA . 16673 1 1292 . 1 1 269 269 LYS CB C 13 33.601 0.000 . 1 . . . . 269 LYS CB . 16673 1 1293 . 1 1 269 269 LYS N N 15 125.685 0.020 . 1 . . . . 269 LYS N . 16673 1 stop_ save_