data_16678 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16678 _Entry.Title ; 1H, 13C and 15N Chemical Shift Assignments for Sensory Rhodopsin II ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-01-14 _Entry.Accession_date 2010-01-14 _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 Antoine Gautier . . . 16678 2 Helen Mott . R. . 16678 3 Mark Bostock . J. . 16678 4 John Kirkpatrick . P. . 16678 5 Daniel Nietlispach . . . 16678 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 16678 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'membrane proteins' . 16678 'NMR spectroscopy' . 16678 'protein structures' . 16678 receptors . 16678 'structure elucidation' . 16678 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16678 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 1004 16678 '15N chemical shifts' 239 16678 '1H chemical shifts' 1530 16678 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 . . 2010-06-09 2010-01-04 update BMRB 'complete entry citation' 16678 1 . . 2010-06-01 2010-01-04 original author 'original release' 16678 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KSY 'BMRB Entry Tracking System' 16678 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16678 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20512150 _Citation.Full_citation . _Citation.Title 'Structure determination of the seven-helix transmembrane receptor sensory rhodopsin II by solution NMR spectroscopy.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Mol. Biol.' _Citation.Journal_name_full 'Nature structural & molecular biology' _Citation.Journal_volume 17 _Citation.Journal_issue 6 _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 768 _Citation.Page_last 774 _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 Antoine Gautier . . . 16678 1 2 Helen Mott . R. . 16678 1 3 Mark Bostock . J. . 16678 1 4 John Kirkpatrick . P. . 16678 1 5 Daniel Nietlispach . . . 16678 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16678 _Assembly.ID 1 _Assembly.Name 'Sensory Rhodopsin II' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _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 'Sensory Rhodopsin II' 1 $entity A . yes native no no . . . 16678 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16678 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Sensory Rhodopsin II' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MVGLTTLFWLGAIGMLVGTL AFAWAGRDAGSGERRYYVTL VGISGIAAVAYAVMALGVGW VPVAERTVFVPRYIDWILTT PLIVYFLGLLAGLDSREFGI VITLNTVVMLAGFAGAMVPG IERYALFGMGAVAFIGLVYY LVGPMTESASQRSSGIKSLY VRLRNLTVVLWAIYPFIWLL GPPGVALLTPTVDVALIVYL DLVTXVGFGFIALDAAATLR AEHGESLAGVDTDTPAVADL EHHHHHH ; _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 yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 247 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 26723.572 _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 1GU8 . "Sensory Rhodopsin Ii" . . . . . 96.76 239 97.49 98.33 1.37e-157 . . . . 16678 1 2 no PDB 1GUE . "Sensory Rhodopsin Ii" . . . . . 96.76 239 97.49 98.33 1.37e-157 . . . . 16678 1 3 no PDB 1H2S . "Molecular Basis Of Transmenbrane Signalling By Sensory Rhodopsin Ii-Transducer Complex" . . . . . 91.09 225 97.78 98.67 5.12e-148 . . . . 16678 1 4 no PDB 1H68 . "Sensory Rhodopsin Ii" . . . . . 96.76 239 97.49 98.33 1.37e-157 . . . . 16678 1 5 no PDB 1JGJ . "Crystal Structure Of Sensory Rhodopsin Ii At 2.4 Angstroms: Insights Into Color Tuning And Transducer Interaction" . . . . . 87.85 217 99.54 99.54 3.52e-143 . . . . 16678 1 6 no PDB 2KSY . "Solution Nmr Structure Of Sensory Rhodopsin Ii" . . . . . 100.00 247 99.60 99.60 2.14e-168 . . . . 16678 1 7 no PDB 3QAP . "Crystal Structure Of Natronomonas Pharaonis Sensory Rhodopsin Ii In The Ground State" . . . . . 96.76 239 97.49 98.33 1.37e-157 . . . . 16678 1 8 no PDB 3QDC . "Crystal Structure Of Natronomonas Pharaonis Sensory Rhodopsin Ii In The Active State" . . . . . 96.76 239 97.49 98.33 1.37e-157 . . . . 16678 1 9 no EMBL CAA84469 . "sensory rhodopsin II apoprotein [Natronomonas pharaonis]" . . . . . 96.76 239 97.49 98.33 1.37e-157 . . . . 16678 1 10 no EMBL CAI50508 . "sensory rhodopsin II [Natronomonas pharaonis DSM 2160]" . . . . . 96.76 239 99.58 99.58 2.59e-160 . . . . 16678 1 11 no REF WP_011324120 . "sensory rhodopsin-2 [Natronomonas pharaonis]" . . . . . 96.76 239 99.58 99.58 2.59e-160 . . . . 16678 1 12 no SP P42196 . "RecName: Full=Sensory rhodopsin-2; AltName: Full=Sensory rhodopsin II; Short=SR-II" . . . . . 96.76 239 97.49 98.33 1.37e-157 . . . . 16678 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 . MET . 16678 1 2 . VAL . 16678 1 3 . GLY . 16678 1 4 . LEU . 16678 1 5 . THR . 16678 1 6 . THR . 16678 1 7 . LEU . 16678 1 8 . PHE . 16678 1 9 . TRP . 16678 1 10 . LEU . 16678 1 11 . GLY . 16678 1 12 . ALA . 16678 1 13 . ILE . 16678 1 14 . GLY . 16678 1 15 . MET . 16678 1 16 . LEU . 16678 1 17 . VAL . 16678 1 18 . GLY . 16678 1 19 . THR . 16678 1 20 . LEU . 16678 1 21 . ALA . 16678 1 22 . PHE . 16678 1 23 . ALA . 16678 1 24 . TRP . 16678 1 25 . ALA . 16678 1 26 . GLY . 16678 1 27 . ARG . 16678 1 28 . ASP . 16678 1 29 . ALA . 16678 1 30 . GLY . 16678 1 31 . SER . 16678 1 32 . GLY . 16678 1 33 . GLU . 16678 1 34 . ARG . 16678 1 35 . ARG . 16678 1 36 . TYR . 16678 1 37 . TYR . 16678 1 38 . VAL . 16678 1 39 . THR . 16678 1 40 . LEU . 16678 1 41 . VAL . 16678 1 42 . GLY . 16678 1 43 . ILE . 16678 1 44 . SER . 16678 1 45 . GLY . 16678 1 46 . ILE . 16678 1 47 . ALA . 16678 1 48 . ALA . 16678 1 49 . VAL . 16678 1 50 . ALA . 16678 1 51 . TYR . 16678 1 52 . ALA . 16678 1 53 . VAL . 16678 1 54 . MET . 16678 1 55 . ALA . 16678 1 56 . LEU . 16678 1 57 . GLY . 16678 1 58 . VAL . 16678 1 59 . GLY . 16678 1 60 . TRP . 16678 1 61 . VAL . 16678 1 62 . PRO . 16678 1 63 . VAL . 16678 1 64 . ALA . 16678 1 65 . GLU . 16678 1 66 . ARG . 16678 1 67 . THR . 16678 1 68 . VAL . 16678 1 69 . PHE . 16678 1 70 . VAL . 16678 1 71 . PRO . 16678 1 72 . ARG . 16678 1 73 . TYR . 16678 1 74 . ILE . 16678 1 75 . ASP . 16678 1 76 . TRP . 16678 1 77 . ILE . 16678 1 78 . LEU . 16678 1 79 . THR . 16678 1 80 . THR . 16678 1 81 . PRO . 16678 1 82 . LEU . 16678 1 83 . ILE . 16678 1 84 . VAL . 16678 1 85 . TYR . 16678 1 86 . PHE . 16678 1 87 . LEU . 16678 1 88 . GLY . 16678 1 89 . LEU . 16678 1 90 . LEU . 16678 1 91 . ALA . 16678 1 92 . GLY . 16678 1 93 . LEU . 16678 1 94 . ASP . 16678 1 95 . SER . 16678 1 96 . ARG . 16678 1 97 . GLU . 16678 1 98 . PHE . 16678 1 99 . GLY . 16678 1 100 . ILE . 16678 1 101 . VAL . 16678 1 102 . ILE . 16678 1 103 . THR . 16678 1 104 . LEU . 16678 1 105 . ASN . 16678 1 106 . THR . 16678 1 107 . VAL . 16678 1 108 . VAL . 16678 1 109 . MET . 16678 1 110 . LEU . 16678 1 111 . ALA . 16678 1 112 . GLY . 16678 1 113 . PHE . 16678 1 114 . ALA . 16678 1 115 . GLY . 16678 1 116 . ALA . 16678 1 117 . MET . 16678 1 118 . VAL . 16678 1 119 . PRO . 16678 1 120 . GLY . 16678 1 121 . ILE . 16678 1 122 . GLU . 16678 1 123 . ARG . 16678 1 124 . TYR . 16678 1 125 . ALA . 16678 1 126 . LEU . 16678 1 127 . PHE . 16678 1 128 . GLY . 16678 1 129 . MET . 16678 1 130 . GLY . 16678 1 131 . ALA . 16678 1 132 . VAL . 16678 1 133 . ALA . 16678 1 134 . PHE . 16678 1 135 . ILE . 16678 1 136 . GLY . 16678 1 137 . LEU . 16678 1 138 . VAL . 16678 1 139 . TYR . 16678 1 140 . TYR . 16678 1 141 . LEU . 16678 1 142 . VAL . 16678 1 143 . GLY . 16678 1 144 . PRO . 16678 1 145 . MET . 16678 1 146 . THR . 16678 1 147 . GLU . 16678 1 148 . SER . 16678 1 149 . ALA . 16678 1 150 . SER . 16678 1 151 . GLN . 16678 1 152 . ARG . 16678 1 153 . SER . 16678 1 154 . SER . 16678 1 155 . GLY . 16678 1 156 . ILE . 16678 1 157 . LYS . 16678 1 158 . SER . 16678 1 159 . LEU . 16678 1 160 . TYR . 16678 1 161 . VAL . 16678 1 162 . ARG . 16678 1 163 . LEU . 16678 1 164 . ARG . 16678 1 165 . ASN . 16678 1 166 . LEU . 16678 1 167 . THR . 16678 1 168 . VAL . 16678 1 169 . VAL . 16678 1 170 . LEU . 16678 1 171 . TRP . 16678 1 172 . ALA . 16678 1 173 . ILE . 16678 1 174 . TYR . 16678 1 175 . PRO . 16678 1 176 . PHE . 16678 1 177 . ILE . 16678 1 178 . TRP . 16678 1 179 . LEU . 16678 1 180 . LEU . 16678 1 181 . GLY . 16678 1 182 . PRO . 16678 1 183 . PRO . 16678 1 184 . GLY . 16678 1 185 . VAL . 16678 1 186 . ALA . 16678 1 187 . LEU . 16678 1 188 . LEU . 16678 1 189 . THR . 16678 1 190 . PRO . 16678 1 191 . THR . 16678 1 192 . VAL . 16678 1 193 . ASP . 16678 1 194 . VAL . 16678 1 195 . ALA . 16678 1 196 . LEU . 16678 1 197 . ILE . 16678 1 198 . VAL . 16678 1 199 . TYR . 16678 1 200 . LEU . 16678 1 201 . ASP . 16678 1 202 . LEU . 16678 1 203 . VAL . 16678 1 204 . THR . 16678 1 205 . LYR . 16678 1 206 . VAL . 16678 1 207 . GLY . 16678 1 208 . PHE . 16678 1 209 . GLY . 16678 1 210 . PHE . 16678 1 211 . ILE . 16678 1 212 . ALA . 16678 1 213 . LEU . 16678 1 214 . ASP . 16678 1 215 . ALA . 16678 1 216 . ALA . 16678 1 217 . ALA . 16678 1 218 . THR . 16678 1 219 . LEU . 16678 1 220 . ARG . 16678 1 221 . ALA . 16678 1 222 . GLU . 16678 1 223 . HIS . 16678 1 224 . GLY . 16678 1 225 . GLU . 16678 1 226 . SER . 16678 1 227 . LEU . 16678 1 228 . ALA . 16678 1 229 . GLY . 16678 1 230 . VAL . 16678 1 231 . ASP . 16678 1 232 . THR . 16678 1 233 . ASP . 16678 1 234 . THR . 16678 1 235 . PRO . 16678 1 236 . ALA . 16678 1 237 . VAL . 16678 1 238 . ALA . 16678 1 239 . ASP . 16678 1 240 . LEU . 16678 1 241 . GLU . 16678 1 242 . HIS . 16678 1 243 . HIS . 16678 1 244 . HIS . 16678 1 245 . HIS . 16678 1 246 . HIS . 16678 1 247 . HIS . 16678 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 . MET 1 1 16678 1 . VAL 2 2 16678 1 . GLY 3 3 16678 1 . LEU 4 4 16678 1 . THR 5 5 16678 1 . THR 6 6 16678 1 . LEU 7 7 16678 1 . PHE 8 8 16678 1 . TRP 9 9 16678 1 . LEU 10 10 16678 1 . GLY 11 11 16678 1 . ALA 12 12 16678 1 . ILE 13 13 16678 1 . GLY 14 14 16678 1 . MET 15 15 16678 1 . LEU 16 16 16678 1 . VAL 17 17 16678 1 . GLY 18 18 16678 1 . THR 19 19 16678 1 . LEU 20 20 16678 1 . ALA 21 21 16678 1 . PHE 22 22 16678 1 . ALA 23 23 16678 1 . TRP 24 24 16678 1 . ALA 25 25 16678 1 . GLY 26 26 16678 1 . ARG 27 27 16678 1 . ASP 28 28 16678 1 . ALA 29 29 16678 1 . GLY 30 30 16678 1 . SER 31 31 16678 1 . GLY 32 32 16678 1 . GLU 33 33 16678 1 . ARG 34 34 16678 1 . ARG 35 35 16678 1 . TYR 36 36 16678 1 . TYR 37 37 16678 1 . VAL 38 38 16678 1 . THR 39 39 16678 1 . LEU 40 40 16678 1 . VAL 41 41 16678 1 . GLY 42 42 16678 1 . ILE 43 43 16678 1 . SER 44 44 16678 1 . GLY 45 45 16678 1 . ILE 46 46 16678 1 . ALA 47 47 16678 1 . ALA 48 48 16678 1 . VAL 49 49 16678 1 . ALA 50 50 16678 1 . TYR 51 51 16678 1 . ALA 52 52 16678 1 . VAL 53 53 16678 1 . MET 54 54 16678 1 . ALA 55 55 16678 1 . LEU 56 56 16678 1 . GLY 57 57 16678 1 . VAL 58 58 16678 1 . GLY 59 59 16678 1 . TRP 60 60 16678 1 . VAL 61 61 16678 1 . PRO 62 62 16678 1 . VAL 63 63 16678 1 . ALA 64 64 16678 1 . GLU 65 65 16678 1 . ARG 66 66 16678 1 . THR 67 67 16678 1 . VAL 68 68 16678 1 . PHE 69 69 16678 1 . VAL 70 70 16678 1 . PRO 71 71 16678 1 . ARG 72 72 16678 1 . TYR 73 73 16678 1 . ILE 74 74 16678 1 . ASP 75 75 16678 1 . TRP 76 76 16678 1 . ILE 77 77 16678 1 . LEU 78 78 16678 1 . THR 79 79 16678 1 . THR 80 80 16678 1 . PRO 81 81 16678 1 . LEU 82 82 16678 1 . ILE 83 83 16678 1 . VAL 84 84 16678 1 . TYR 85 85 16678 1 . PHE 86 86 16678 1 . LEU 87 87 16678 1 . GLY 88 88 16678 1 . LEU 89 89 16678 1 . LEU 90 90 16678 1 . ALA 91 91 16678 1 . GLY 92 92 16678 1 . LEU 93 93 16678 1 . ASP 94 94 16678 1 . SER 95 95 16678 1 . ARG 96 96 16678 1 . GLU 97 97 16678 1 . PHE 98 98 16678 1 . GLY 99 99 16678 1 . ILE 100 100 16678 1 . VAL 101 101 16678 1 . ILE 102 102 16678 1 . THR 103 103 16678 1 . LEU 104 104 16678 1 . ASN 105 105 16678 1 . THR 106 106 16678 1 . VAL 107 107 16678 1 . VAL 108 108 16678 1 . MET 109 109 16678 1 . LEU 110 110 16678 1 . ALA 111 111 16678 1 . GLY 112 112 16678 1 . PHE 113 113 16678 1 . ALA 114 114 16678 1 . GLY 115 115 16678 1 . ALA 116 116 16678 1 . MET 117 117 16678 1 . VAL 118 118 16678 1 . PRO 119 119 16678 1 . GLY 120 120 16678 1 . ILE 121 121 16678 1 . GLU 122 122 16678 1 . ARG 123 123 16678 1 . TYR 124 124 16678 1 . ALA 125 125 16678 1 . LEU 126 126 16678 1 . PHE 127 127 16678 1 . GLY 128 128 16678 1 . MET 129 129 16678 1 . GLY 130 130 16678 1 . ALA 131 131 16678 1 . VAL 132 132 16678 1 . ALA 133 133 16678 1 . PHE 134 134 16678 1 . ILE 135 135 16678 1 . GLY 136 136 16678 1 . LEU 137 137 16678 1 . VAL 138 138 16678 1 . TYR 139 139 16678 1 . TYR 140 140 16678 1 . LEU 141 141 16678 1 . VAL 142 142 16678 1 . GLY 143 143 16678 1 . PRO 144 144 16678 1 . MET 145 145 16678 1 . THR 146 146 16678 1 . GLU 147 147 16678 1 . SER 148 148 16678 1 . ALA 149 149 16678 1 . SER 150 150 16678 1 . GLN 151 151 16678 1 . ARG 152 152 16678 1 . SER 153 153 16678 1 . SER 154 154 16678 1 . GLY 155 155 16678 1 . ILE 156 156 16678 1 . LYS 157 157 16678 1 . SER 158 158 16678 1 . LEU 159 159 16678 1 . TYR 160 160 16678 1 . VAL 161 161 16678 1 . ARG 162 162 16678 1 . LEU 163 163 16678 1 . ARG 164 164 16678 1 . ASN 165 165 16678 1 . LEU 166 166 16678 1 . THR 167 167 16678 1 . VAL 168 168 16678 1 . VAL 169 169 16678 1 . LEU 170 170 16678 1 . TRP 171 171 16678 1 . ALA 172 172 16678 1 . ILE 173 173 16678 1 . TYR 174 174 16678 1 . PRO 175 175 16678 1 . PHE 176 176 16678 1 . ILE 177 177 16678 1 . TRP 178 178 16678 1 . LEU 179 179 16678 1 . LEU 180 180 16678 1 . GLY 181 181 16678 1 . PRO 182 182 16678 1 . PRO 183 183 16678 1 . GLY 184 184 16678 1 . VAL 185 185 16678 1 . ALA 186 186 16678 1 . LEU 187 187 16678 1 . LEU 188 188 16678 1 . THR 189 189 16678 1 . PRO 190 190 16678 1 . THR 191 191 16678 1 . VAL 192 192 16678 1 . ASP 193 193 16678 1 . VAL 194 194 16678 1 . ALA 195 195 16678 1 . LEU 196 196 16678 1 . ILE 197 197 16678 1 . VAL 198 198 16678 1 . TYR 199 199 16678 1 . LEU 200 200 16678 1 . ASP 201 201 16678 1 . LEU 202 202 16678 1 . VAL 203 203 16678 1 . THR 204 204 16678 1 . LYR 205 205 16678 1 . VAL 206 206 16678 1 . GLY 207 207 16678 1 . PHE 208 208 16678 1 . GLY 209 209 16678 1 . PHE 210 210 16678 1 . ILE 211 211 16678 1 . ALA 212 212 16678 1 . LEU 213 213 16678 1 . ASP 214 214 16678 1 . ALA 215 215 16678 1 . ALA 216 216 16678 1 . ALA 217 217 16678 1 . THR 218 218 16678 1 . LEU 219 219 16678 1 . ARG 220 220 16678 1 . ALA 221 221 16678 1 . GLU 222 222 16678 1 . HIS 223 223 16678 1 . GLY 224 224 16678 1 . GLU 225 225 16678 1 . SER 226 226 16678 1 . LEU 227 227 16678 1 . ALA 228 228 16678 1 . GLY 229 229 16678 1 . VAL 230 230 16678 1 . ASP 231 231 16678 1 . THR 232 232 16678 1 . ASP 233 233 16678 1 . THR 234 234 16678 1 . PRO 235 235 16678 1 . ALA 236 236 16678 1 . VAL 237 237 16678 1 . ALA 238 238 16678 1 . ASP 239 239 16678 1 . LEU 240 240 16678 1 . GLU 241 241 16678 1 . HIS 242 242 16678 1 . HIS 243 243 16678 1 . HIS 244 244 16678 1 . HIS 245 245 16678 1 . HIS 246 246 16678 1 . HIS 247 247 16678 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 16678 _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 $entity . 2257 organism . 'Natronomonas pharaonis' 'Natronomonas pharaonis' . . Archaea . Natronomonas pharaonis . . . . . . . . . . . . . . . . . . . . . 16678 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 16678 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28 . . . . . . 16678 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_LYR _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_LYR _Chem_comp.Entry_ID 16678 _Chem_comp.ID LYR _Chem_comp.Provenance . _Chem_comp.Name N~6~-[(2Z,4E,6E,8E)-3,7-DIMETHYL-9-(2,6,6-TRIMETHYLCYCLOHEX-1-EN-1-YL)NONA-2,4,6,8-TETRAENYL]LYSINE _Chem_comp.Type 'L-peptide linking' _Chem_comp.BMRB_code . _Chem_comp.PDB_code LYR _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code K _Chem_comp.Three_letter_code LYR _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID LYS _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C26 H42 N2 O2' _Chem_comp.Formula_weight 414.624 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag yes _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 15:01:52 2009 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCNCCCCC(C(=O)O)N)C)C SMILES 'OpenEye OEToolkits' 1.5.0 16678 LYR CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C\C(=C\CNCCCC[C@@H](C(=O)O)N)\C)/C SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 16678 LYR CC1=C(\C=C\C(C)=C\C=C/C(C)=C/CNCCCC[C@H](N)C(O)=O)C(C)(C)CCC1 SMILES_CANONICAL CACTVS 3.341 16678 LYR CC1=C(C=CC(C)=CC=CC(C)=CCNCCCC[CH](N)C(O)=O)C(C)(C)CCC1 SMILES CACTVS 3.341 16678 LYR FSIGCSBKSBDRLV-JSDCPDPMDO InChIKey InChI 1.02b 16678 LYR InChI=1/C26H42N2O2/c1-20(14-15-23-22(3)12-9-17-26(23,4)5)10-8-11-21(2)16-19-28-18-7-6-13-24(27)25(29)30/h8,10-11,14-16,24,28H,6-7,9,12-13,17-19,27H2,1-5H3,(H,29,30)/b11-8-,15-14+,20-10+,21-16+/t24-/m0/s1/f/h29H InChI InChI 1.02b 16678 LYR O=C(O)C(N)CCCCNC/C=C(/C=C\C=C(\C=C\C1=C(CCCC1(C)C)C)C)C SMILES ACDLabs 10.04 16678 LYR stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2S)-2-amino-6-[[(2E,4Z,6E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl]amino]hexanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 16678 LYR N~6~-[(2E,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl]-L-lysine 'SYSTEMATIC NAME' ACDLabs 10.04 16678 LYR stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C . C . . C . . N 0 . . . . . . . . . . -3.169 . -5.640 . 5.622 . -4.576 1.213 2.952 . . 16678 LYR C1 . C1 . . C . . N 0 . . . . . . . . . . -9.746 . -3.043 . 4.714 . -3.756 -4.865 0.717 . . 16678 LYR C10 . C10 . . C . . N 0 . . . . . . . . . . -6.329 . 0.331 . -3.032 . 0.952 0.118 0.508 . . 16678 LYR C11 . C11 . . C . . N 0 . . . . . . . . . . -4.945 . -0.015 . -3.638 . 1.010 0.772 1.805 . . 16678 LYR C12 . C12 . . C . . N 0 . . . . . . . . . . -4.554 . -1.269 . -3.983 . 0.763 0.106 2.961 . . 16678 LYR C13 . C13 . . C . . N 0 . . . . . . . . . . -5.334 . -2.611 . -3.897 . 0.327 -1.336 3.073 . . 16678 LYR C14 . C14 . . C . . N 0 . . . . . . . . . . -3.169 . -1.659 . -4.460 . 0.903 0.758 4.322 . . 16678 LYR C15 . C15 . . C . . N 0 . . . . . . . . . . -2.088 . -0.533 . -4.070 . 1.637 2.091 4.314 . . 16678 LYR C16 . C16 . . C . . N 0 . . . . . . . . . . -2.651 . 0.808 . -4.417 . 1.149 2.946 3.158 . . 16678 LYR C17 . C17 . . C . . N 0 . . . . . . . . . . -4.035 . 1.240 . -3.854 . 1.398 2.270 1.782 . . 16678 LYR C18 . C18 . . C . . N 0 . . . . . . . . . . -3.732 . 1.889 . -2.470 . 0.560 3.072 0.755 . . 16678 LYR C19 . C19 . . C . . N 0 . . . . . . . . . . -4.727 . 2.193 . -4.806 . 2.893 2.412 1.414 . . 16678 LYR C2 . C2 . . C . . N 0 . . . . . . . . . . -9.876 . -1.701 . 3.936 . -2.920 -4.495 -0.474 . . 16678 LYR C3 . C3 . . C . . N 0 . . . . . . . . . . -9.746 . -1.485 . 2.680 . -3.301 -4.363 -1.762 . . 16678 LYR C4 . C4 . . C . . N 0 . . . . . . . . . . -9.487 . -2.653 . 1.685 . -4.716 -4.545 -2.244 . . 16678 LYR C5 . C5 . . C . . N 0 . . . . . . . . . . -9.746 . -0.144 . 2.160 . -2.284 -4.014 -2.760 . . 16678 LYR C6 . C6 . . C . . N 0 . . . . . . . . . . -9.183 . 0.374 . 1.079 . -1.278 -3.135 -2.609 . . 16678 LYR C7 . C7 . . C . . N 0 . . . . . . . . . . -8.233 . -0.274 . 0.040 . -1.069 -2.391 -1.380 . . 16678 LYR C8 . C8 . . C . . N 0 . . . . . . . . . . -8.449 . 1.716 . -1.561 . 0.915 -1.165 -2.164 . . 16678 LYR C80 . C80 . . C . . N 0 . . . . . . . . . . -7.886 . 0.374 . -1.128 . -0.107 -1.485 -1.098 . . 16678 LYR C9 . C9 . . C . . N 0 . . . . . . . . . . -6.847 . -0.274 . -2.036 . 0.015 -0.787 0.182 . . 16678 LYR CA . CA . . C . . S 0 . . . . . . . . . . -4.641 . -5.120 . 5.320 . -5.398 0.694 4.116 . . 16678 LYR CB . CB . . C . . N 0 . . . . . . . . . . -5.636 . -5.379 . 6.401 . -4.876 -0.672 4.563 . . 16678 LYR CD . CD . . C . . N 0 . . . . . . . . . . -8.145 . -4.731 . 7.179 . -4.473 -3.136 3.992 . . 16678 LYR CE . CE . . C . . N 0 . . . . . . . . . . -9.617 . -4.341 . 6.747 . -4.498 -4.212 2.904 . . 16678 LYR CG . CG . . C . . N 0 . . . . . . . . . . -7.108 . -4.861 . 6.011 . -4.954 -1.769 3.493 . . 16678 LYR H . H . . H . . N 0 . . . . . . . . . . -4.647 . -5.251 . 3.293 . -7.012 1.103 2.802 . . 16678 LYR H1 . H1 . . H . . N 0 . . . . . . . . . . -8.864 . -3.571 . 4.283 . -4.805 -5.045 0.473 . . 16678 LYR H10 . H10 . . H . . N 0 . . . . . . . . . . -6.891 . 1.136 . -3.482 . 1.728 0.414 -0.191 . . 16678 LYR H11 . H11 . . H . . N 0 . . . . . . . . . . -10.604 . -3.677 . 4.391 . -3.367 -5.807 1.121 . . 16678 LYR H131 . H131 . . H . . N 0 . . . . . . . . . . -5.991 . -2.710 . -4.774 . 0.850 -1.798 3.903 . . 16678 LYR H132 . H132 . . H . . N 0 . . . . . . . . . . -5.941 . -2.624 . -2.980 . 0.567 -1.849 2.148 . . 16678 LYR H133 . H133 . . H . . N 0 . . . . . . . . . . -4.622 . -3.449 . -3.877 . -0.743 -1.368 3.242 . . 16678 LYR H141 . H141 . . H . . N 0 . . . . . . . . . . -3.190 . -1.762 . -5.555 . -0.103 0.900 4.737 . . 16678 LYR H142 . H142 . . H . . N 0 . . . . . . . . . . -2.882 . -2.610 . -3.987 . 1.435 0.080 5.001 . . 16678 LYR H151 . H151 . . H . . N 0 . . . . . . . . . . -1.153 . -0.702 . -4.623 . 1.472 2.609 5.265 . . 16678 LYR H152 . H152 . . H . . N 0 . . . . . . . . . . -1.875 . -0.579 . -2.992 . 2.717 1.923 4.228 . . 16678 LYR H161 . H161 . . H . . N 0 . . . . . . . . . . -2.820 . 0.745 . -5.502 . 0.076 3.139 3.291 . . 16678 LYR H162 . H162 . . H . . N 0 . . . . . . . . . . -1.926 . 1.548 . -4.047 . 1.645 3.925 3.191 . . 16678 LYR H181 . H181 . . H . . N 0 . . . . . . . . . . -4.087 . 1.225 . -1.668 . 1.023 4.044 0.558 . . 16678 LYR H182 . H182 . . H . . N 0 . . . . . . . . . . -4.247 . 2.858 . -2.399 . 0.487 2.528 -0.191 . . 16678 LYR H183 . H183 . . H . . N 0 . . . . . . . . . . -2.648 . 2.042 . -2.366 . -0.452 3.243 1.134 . . 16678 LYR H191 . H191 . . H . . N 0 . . . . . . . . . . -4.143 . 2.271 . -5.735 . 3.079 3.373 0.926 . . 16678 LYR H192 . H192 . . H . . N 0 . . . . . . . . . . -4.807 . 3.185 . -4.338 . 3.516 2.354 2.311 . . 16678 LYR H193 . H193 . . H . . N 0 . . . . . . . . . . -5.734 . 1.815 . -5.037 . 3.198 1.614 0.730 . . 16678 LYR H2 . H2 . . H . . N 0 . . . . . . . . . . -5.930 . -5.971 . 4.000 . -7.478 0.319 4.292 . . 16678 LYR H41 . H41 . . H . . N 0 . . . . . . . . . . -10.056 . -2.479 . 0.760 . -4.776 -5.382 -2.949 . . 16678 LYR H42 . H42 . . H . . N 0 . . . . . . . . . . -9.808 . -3.601 . 2.141 . -5.072 -3.638 -2.745 . . 16678 LYR H43 . H43 . . H . . N 0 . . . . . . . . . . -8.414 . -2.704 . 1.450 . -5.429 -4.753 -1.445 . . 16678 LYR H5 . H5 . . H . . N 0 . . . . . . . . . . -10.303 . 0.565 . 2.755 . -2.373 -4.530 -3.716 . . 16678 LYR H6 . H6 . . H . . N 0 . . . . . . . . . . -9.424 . 1.410 . 0.892 . -0.586 -2.963 -3.425 . . 16678 LYR H7 . H7 . . H . . N 0 . . . . . . . . . . -7.832 . -1.258 . 0.235 . -1.798 -2.610 -0.599 . . 16678 LYR H81 . H81 . . H . . N 0 . . . . . . . . . . -8.008 . 2.004 . -2.527 . 0.748 -1.733 -3.087 . . 16678 LYR H82 . H82 . . H . . N 0 . . . . . . . . . . -8.206 . 2.477 . -0.805 . 1.926 -1.409 -1.819 . . 16678 LYR H83 . H83 . . H . . N 0 . . . . . . . . . . -9.541 . 1.639 . -1.666 . 0.877 -0.103 -2.432 . . 16678 LYR H9 . H9 . . H . . N 0 . . . . . . . . . . -6.537 . -1.287 . -1.827 . -0.726 -1.027 0.941 . . 16678 LYR HA . HA . . H . . N 0 . . . . . . . . . . -4.699 . -4.023 . 5.255 . -5.376 1.431 4.924 . . 16678 LYR HB2 . HB2 . . H . . N 0 . . . . . . . . . . -5.311 . -4.832 . 7.298 . -3.827 -0.576 4.876 . . 16678 LYR HB3 . HB3 . . H . . N 0 . . . . . . . . . . -5.683 . -6.463 . 6.581 . -5.427 -1.002 5.453 . . 16678 LYR HC2 . HC2 . . H . . N 0 . . . . . . . . . . -10.107 . -0.834 . 4.537 . -1.868 -4.339 -0.229 . . 16678 LYR HD2 . HD2 . . H . . N 0 . . . . . . . . . . -7.786 . -3.908 . 7.814 . -5.085 -3.466 4.840 . . 16678 LYR HD3 . HD3 . . H . . N 0 . . . . . . . . . . -8.197 . -5.706 . 7.685 . -3.444 -3.043 4.362 . . 16678 LYR HE2 . HE2 . . H . . N 0 . . . . . . . . . . -10.196 . -4.154 . 7.663 . -4.146 -5.165 3.311 . . 16678 LYR HE3 . HE3 . . H . . N 0 . . . . . . . . . . -10.037 . -5.169 . 6.156 . -5.530 -4.360 2.569 . . 16678 LYR HG2 . HG2 . . H . . N 0 . . . . . . . . . . -7.519 . -5.629 . 5.340 . -4.330 -1.459 2.646 . . 16678 LYR HG3 . HG3 . . H . . N 0 . . . . . . . . . . -6.992 . -3.860 . 5.569 . -5.980 -1.843 3.115 . . 16678 LYR HXT . HXT . . H . . N 0 . . . . . . . . . . 0.879 . -0.311 . 0.180 . -2.686 1.680 2.560 . . 16678 LYR HZ . HZ . . H . . N 0 . . . . . . . . . . -10.477 . -2.704 . 6.303 . -2.706 -3.752 2.057 . . 16678 LYR N . N . . N . . N 0 . . . . . . . . . . -4.945 . -5.813 . 4.064 . -6.763 0.638 3.659 . . 16678 LYR NZ . NZ . . N . . N 0 . . . . . . . . . . -9.660 . -3.173 . 5.968 . -3.676 -3.847 1.760 . . 16678 LYR O . O . . O . . N 0 . . . . . . . . . . -2.607 . -5.077 . 6.618 . -5.003 1.420 1.823 . . 16678 LYR OXT . OXT . . O . . N 0 . . . . . . . . . . . . . . . . -3.270 1.380 3.288 . . 16678 LYR stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA . . . . 16678 LYR 2 . SING N H . . . . 16678 LYR 3 . SING N H2 . . . . 16678 LYR 4 . SING CA C . . . . 16678 LYR 5 . SING CA CB . . . . 16678 LYR 6 . SING CA HA . . . . 16678 LYR 7 . DOUB C O . . . . 16678 LYR 8 . SING C OXT . . . . 16678 LYR 9 . SING OXT HXT . . . . 16678 LYR 10 . SING CB CG . . . . 16678 LYR 11 . SING CB HB2 . . . . 16678 LYR 12 . SING CB HB3 . . . . 16678 LYR 13 . SING CG CD . . . . 16678 LYR 14 . SING CG HG2 . . . . 16678 LYR 15 . SING CG HG3 . . . . 16678 LYR 16 . SING CD CE . . . . 16678 LYR 17 . SING CD HD2 . . . . 16678 LYR 18 . SING CD HD3 . . . . 16678 LYR 19 . SING CE NZ . . . . 16678 LYR 20 . SING CE HE2 . . . . 16678 LYR 21 . SING CE HE3 . . . . 16678 LYR 22 . SING NZ C1 . . . . 16678 LYR 23 . SING NZ HZ . . . . 16678 LYR 24 . SING C1 C2 . . . . 16678 LYR 25 . SING C1 H1 . . . . 16678 LYR 26 . SING C1 H11 . . . . 16678 LYR 27 . DOUB C2 C3 . . . . 16678 LYR 28 . SING C2 HC2 . . . . 16678 LYR 29 . SING C3 C4 . . . . 16678 LYR 30 . SING C3 C5 . . . . 16678 LYR 31 . SING C4 H41 . . . . 16678 LYR 32 . SING C4 H42 . . . . 16678 LYR 33 . SING C4 H43 . . . . 16678 LYR 34 . DOUB C5 C6 . . . . 16678 LYR 35 . SING C5 H5 . . . . 16678 LYR 36 . SING C6 C7 . . . . 16678 LYR 37 . SING C6 H6 . . . . 16678 LYR 38 . DOUB C7 C80 . . . . 16678 LYR 39 . SING C7 H7 . . . . 16678 LYR 40 . SING C80 C8 . . . . 16678 LYR 41 . SING C80 C9 . . . . 16678 LYR 42 . SING C8 H81 . . . . 16678 LYR 43 . SING C8 H82 . . . . 16678 LYR 44 . SING C8 H83 . . . . 16678 LYR 45 . DOUB C9 C10 . . . . 16678 LYR 46 . SING C9 H9 . . . . 16678 LYR 47 . SING C10 C11 . . . . 16678 LYR 48 . SING C10 H10 . . . . 16678 LYR 49 . DOUB C11 C12 . . . . 16678 LYR 50 . SING C11 C17 . . . . 16678 LYR 51 . SING C12 C13 . . . . 16678 LYR 52 . SING C12 C14 . . . . 16678 LYR 53 . SING C13 H131 . . . . 16678 LYR 54 . SING C13 H132 . . . . 16678 LYR 55 . SING C13 H133 . . . . 16678 LYR 56 . SING C14 C15 . . . . 16678 LYR 57 . SING C14 H141 . . . . 16678 LYR 58 . SING C14 H142 . . . . 16678 LYR 59 . SING C15 C16 . . . . 16678 LYR 60 . SING C15 H151 . . . . 16678 LYR 61 . SING C15 H152 . . . . 16678 LYR 62 . SING C16 C17 . . . . 16678 LYR 63 . SING C16 H161 . . . . 16678 LYR 64 . SING C16 H162 . . . . 16678 LYR 65 . SING C17 C18 . . . . 16678 LYR 66 . SING C17 C19 . . . . 16678 LYR 67 . SING C18 H181 . . . . 16678 LYR 68 . SING C18 H182 . . . . 16678 LYR 69 . SING C18 H183 . . . . 16678 LYR 70 . SING C19 H191 . . . . 16678 LYR 71 . SING C19 H192 . . . . 16678 LYR 72 . SING C19 H193 . . . . 16678 LYR stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16678 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 'SENSORY RHODOPSIN II' '[U-100% 15N]' . . 1 $entity . . 0.5 . . mM . . . . 16678 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16678 1 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 16678 1 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 16678 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16678 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 'SENSORY RHODOPSIN II' '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 0.5 . . mM . . . . 16678 2 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16678 2 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 16678 2 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 16678 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 16678 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 'SENSORY RHODOPSIN II' '[U-13C; U-15N; U-2H]' . . 1 $entity . . 0.5 . . mM . . . . 16678 3 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16678 3 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 16678 3 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 16678 3 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 16678 _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 'ionic strength' 100 . mM 16678 1 pH 6 . pH 16678 1 pressure 1 . atm 16678 1 temperature 323 . K 16678 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 16678 _Software.ID 1 _Software.Name ARIA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 16678 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16678 1 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16678 _Software.ID 2 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16678 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16678 2 stop_ save_ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 16678 _Software.ID 3 _Software.Name ANALYSIS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 16678 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16678 3 'chemical shift calculation' 16678 3 'peak picking' 16678 3 stop_ save_ save_AZARA _Software.Sf_category software _Software.Sf_framecode AZARA _Software.Entry_ID 16678 _Software.ID 4 _Software.Name AZARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Boucher . . 16678 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16678 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 16678 _Software.ID 5 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 16678 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Torsion angle prediction' 16678 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16678 _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_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16678 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 16678 _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 spectrometer_1 Bruker DRX . 800 . . . 16678 1 2 spectrometer_2 Bruker DRX . 600 . . . 16678 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 16678 _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 . . . . . . . . . . . . . . . . . . . . . 16678 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16678 1 3 '3D HNCA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16678 1 4 '3D HN(CO)CA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16678 1 5 '3D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16678 1 6 '3D HN(CA)CO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16678 1 7 '3D HN(CA)CB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16678 1 8 '3D HN(COCA)CB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16678 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16678 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16678 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 16678 _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 . indirect 0.251449530 . . . . . . . . . 16678 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16678 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16678 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 16678 _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' . . . 16678 1 2 '2D 1H-13C HSQC' . . . 16678 1 3 '3D HNCA' . . . 16678 1 4 '3D HN(CO)CA' . . . 16678 1 5 '3D HNCO' . . . 16678 1 6 '3D HN(CA)CO' . . . 16678 1 7 '3D HN(CA)CB' . . . 16678 1 8 '3D HN(COCA)CB' . . . 16678 1 9 '3D 1H-15N NOESY' . . . 16678 1 10 '3D 1H-13C NOESY' . . . 16678 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 MET HE1 H 1 2.276 0.010 . 1 . . . . 1 MET HE1 . 16678 1 2 . 1 1 1 1 MET HE2 H 1 2.276 0.010 . 1 . . . . 1 MET HE2 . 16678 1 3 . 1 1 1 1 MET HE3 H 1 2.276 0.010 . 1 . . . . 1 MET HE3 . 16678 1 4 . 1 1 1 1 MET C C 13 176.363 0.000 . 1 . . . . 1 MET C . 16678 1 5 . 1 1 1 1 MET CA C 13 54.489 0.000 . 1 . . . . 1 MET CA . 16678 1 6 . 1 1 1 1 MET CB C 13 32.712 0.000 . 1 . . . . 1 MET CB . 16678 1 7 . 1 1 1 1 MET CE C 13 17.030 0.080 . 1 . . . . 1 MET CE . 16678 1 8 . 1 1 2 2 VAL H H 1 8.090 0.011 . 1 . . . . 2 VAL H . 16678 1 9 . 1 1 2 2 VAL HA H 1 4.334 0.014 . 1 . . . . 2 VAL HA . 16678 1 10 . 1 1 2 2 VAL HB H 1 2.280 0.011 . 1 . . . . 2 VAL HB . 16678 1 11 . 1 1 2 2 VAL HG11 H 1 1.155 0.020 . 2 . . . . 2 VAL HG11 . 16678 1 12 . 1 1 2 2 VAL HG12 H 1 1.155 0.020 . 2 . . . . 2 VAL HG12 . 16678 1 13 . 1 1 2 2 VAL HG13 H 1 1.155 0.020 . 2 . . . . 2 VAL HG13 . 16678 1 14 . 1 1 2 2 VAL HG21 H 1 1.172 0.012 . 2 . . . . 2 VAL HG21 . 16678 1 15 . 1 1 2 2 VAL HG22 H 1 1.172 0.012 . 2 . . . . 2 VAL HG22 . 16678 1 16 . 1 1 2 2 VAL HG23 H 1 1.172 0.012 . 2 . . . . 2 VAL HG23 . 16678 1 17 . 1 1 2 2 VAL C C 13 176.325 0.004 . 1 . . . . 2 VAL C . 16678 1 18 . 1 1 2 2 VAL CA C 13 62.716 0.115 . 1 . . . . 2 VAL CA . 16678 1 19 . 1 1 2 2 VAL CB C 13 32.449 0.340 . 1 . . . . 2 VAL CB . 16678 1 20 . 1 1 2 2 VAL CG1 C 13 21.276 0.073 . 2 . . . . 2 VAL CG1 . 16678 1 21 . 1 1 2 2 VAL CG2 C 13 21.258 0.122 . 2 . . . . 2 VAL CG2 . 16678 1 22 . 1 1 2 2 VAL N N 15 119.321 0.067 . 1 . . . . 2 VAL N . 16678 1 23 . 1 1 3 3 GLY H H 1 8.616 0.012 . 1 . . . . 3 GLY H . 16678 1 24 . 1 1 3 3 GLY HA2 H 1 4.134 0.026 . 2 . . . . 3 GLY HA2 . 16678 1 25 . 1 1 3 3 GLY HA3 H 1 4.314 0.028 . 2 . . . . 3 GLY HA3 . 16678 1 26 . 1 1 3 3 GLY C C 13 174.725 0.001 . 1 . . . . 3 GLY C . 16678 1 27 . 1 1 3 3 GLY CA C 13 45.485 0.135 . 1 . . . . 3 GLY CA . 16678 1 28 . 1 1 3 3 GLY N N 15 111.346 0.041 . 1 . . . . 3 GLY N . 16678 1 29 . 1 1 4 4 LEU H H 1 8.156 0.015 . 1 . . . . 4 LEU H . 16678 1 30 . 1 1 4 4 LEU HA H 1 3.806 0.019 . 1 . . . . 4 LEU HA . 16678 1 31 . 1 1 4 4 LEU HB2 H 1 1.377 0.014 . 2 . . . . 4 LEU HB2 . 16678 1 32 . 1 1 4 4 LEU HB3 H 1 2.041 0.016 . 2 . . . . 4 LEU HB3 . 16678 1 33 . 1 1 4 4 LEU HD11 H 1 0.677 0.016 . 2 . . . . 4 LEU HD11 . 16678 1 34 . 1 1 4 4 LEU HD12 H 1 0.677 0.016 . 2 . . . . 4 LEU HD12 . 16678 1 35 . 1 1 4 4 LEU HD13 H 1 0.677 0.016 . 2 . . . . 4 LEU HD13 . 16678 1 36 . 1 1 4 4 LEU HD21 H 1 0.908 0.015 . 2 . . . . 4 LEU HD21 . 16678 1 37 . 1 1 4 4 LEU HD22 H 1 0.908 0.015 . 2 . . . . 4 LEU HD22 . 16678 1 38 . 1 1 4 4 LEU HD23 H 1 0.908 0.015 . 2 . . . . 4 LEU HD23 . 16678 1 39 . 1 1 4 4 LEU HG H 1 1.791 0.014 . 1 . . . . 4 LEU HG . 16678 1 40 . 1 1 4 4 LEU C C 13 178.435 0.008 . 1 . . . . 4 LEU C . 16678 1 41 . 1 1 4 4 LEU CA C 13 58.493 0.111 . 1 . . . . 4 LEU CA . 16678 1 42 . 1 1 4 4 LEU CB C 13 42.043 0.304 . 1 . . . . 4 LEU CB . 16678 1 43 . 1 1 4 4 LEU CD1 C 13 24.324 0.145 . 2 . . . . 4 LEU CD1 . 16678 1 44 . 1 1 4 4 LEU CD2 C 13 25.788 0.144 . 2 . . . . 4 LEU CD2 . 16678 1 45 . 1 1 4 4 LEU CG C 13 26.864 0.076 . 1 . . . . 4 LEU CG . 16678 1 46 . 1 1 4 4 LEU N N 15 119.493 0.083 . 1 . . . . 4 LEU N . 16678 1 47 . 1 1 5 5 THR H H 1 8.458 0.014 . 1 . . . . 5 THR H . 16678 1 48 . 1 1 5 5 THR HA H 1 4.328 0.020 . 1 . . . . 5 THR HA . 16678 1 49 . 1 1 5 5 THR HB H 1 4.845 0.015 . 1 . . . . 5 THR HB . 16678 1 50 . 1 1 5 5 THR HG21 H 1 1.908 0.010 . 1 . . . . 5 THR HG21 . 16678 1 51 . 1 1 5 5 THR HG22 H 1 1.908 0.010 . 1 . . . . 5 THR HG22 . 16678 1 52 . 1 1 5 5 THR HG23 H 1 1.908 0.010 . 1 . . . . 5 THR HG23 . 16678 1 53 . 1 1 5 5 THR C C 13 176.352 0.000 . 1 . . . . 5 THR C . 16678 1 54 . 1 1 5 5 THR CA C 13 66.925 0.076 . 1 . . . . 5 THR CA . 16678 1 55 . 1 1 5 5 THR CB C 13 68.376 0.167 . 1 . . . . 5 THR CB . 16678 1 56 . 1 1 5 5 THR CG2 C 13 23.277 0.087 . 1 . . . . 5 THR CG2 . 16678 1 57 . 1 1 5 5 THR N N 15 107.487 0.076 . 1 . . . . 5 THR N . 16678 1 58 . 1 1 6 6 THR H H 1 7.683 0.015 . 1 . . . . 6 THR H . 16678 1 59 . 1 1 6 6 THR HA H 1 4.287 0.011 . 1 . . . . 6 THR HA . 16678 1 60 . 1 1 6 6 THR HB H 1 4.465 0.009 . 1 . . . . 6 THR HB . 16678 1 61 . 1 1 6 6 THR HG21 H 1 1.425 0.009 . 1 . . . . 6 THR HG21 . 16678 1 62 . 1 1 6 6 THR HG22 H 1 1.425 0.009 . 1 . . . . 6 THR HG22 . 16678 1 63 . 1 1 6 6 THR HG23 H 1 1.425 0.009 . 1 . . . . 6 THR HG23 . 16678 1 64 . 1 1 6 6 THR C C 13 175.979 0.000 . 1 . . . . 6 THR C . 16678 1 65 . 1 1 6 6 THR CA C 13 67.142 0.142 . 1 . . . . 6 THR CA . 16678 1 66 . 1 1 6 6 THR CB C 13 68.281 0.089 . 1 . . . . 6 THR CB . 16678 1 67 . 1 1 6 6 THR CG2 C 13 22.325 0.166 . 1 . . . . 6 THR CG2 . 16678 1 68 . 1 1 6 6 THR N N 15 116.694 0.066 . 1 . . . . 6 THR N . 16678 1 69 . 1 1 7 7 LEU H H 1 7.528 0.012 . 1 . . . . 7 LEU H . 16678 1 70 . 1 1 7 7 LEU HA H 1 4.086 0.012 . 1 . . . . 7 LEU HA . 16678 1 71 . 1 1 7 7 LEU HB2 H 1 1.892 0.016 . 2 . . . . 7 LEU HB2 . 16678 1 72 . 1 1 7 7 LEU HB3 H 1 1.164 0.006 . 2 . . . . 7 LEU HB3 . 16678 1 73 . 1 1 7 7 LEU HD11 H 1 0.913 0.019 . 2 . . . . 7 LEU HD11 . 16678 1 74 . 1 1 7 7 LEU HD12 H 1 0.913 0.019 . 2 . . . . 7 LEU HD12 . 16678 1 75 . 1 1 7 7 LEU HD13 H 1 0.913 0.019 . 2 . . . . 7 LEU HD13 . 16678 1 76 . 1 1 7 7 LEU HD21 H 1 0.876 0.018 . 2 . . . . 7 LEU HD21 . 16678 1 77 . 1 1 7 7 LEU HD22 H 1 0.876 0.018 . 2 . . . . 7 LEU HD22 . 16678 1 78 . 1 1 7 7 LEU HD23 H 1 0.876 0.018 . 2 . . . . 7 LEU HD23 . 16678 1 79 . 1 1 7 7 LEU HG H 1 1.855 0.023 . 1 . . . . 7 LEU HG . 16678 1 80 . 1 1 7 7 LEU C C 13 178.919 0.012 . 1 . . . . 7 LEU C . 16678 1 81 . 1 1 7 7 LEU CA C 13 58.011 0.136 . 1 . . . . 7 LEU CA . 16678 1 82 . 1 1 7 7 LEU CB C 13 41.881 0.145 . 1 . . . . 7 LEU CB . 16678 1 83 . 1 1 7 7 LEU CD1 C 13 26.596 0.193 . 2 . . . . 7 LEU CD1 . 16678 1 84 . 1 1 7 7 LEU CD2 C 13 22.834 0.136 . 2 . . . . 7 LEU CD2 . 16678 1 85 . 1 1 7 7 LEU CG C 13 26.506 0.114 . 1 . . . . 7 LEU CG . 16678 1 86 . 1 1 7 7 LEU N N 15 119.312 0.076 . 1 . . . . 7 LEU N . 16678 1 87 . 1 1 8 8 PHE H H 1 8.203 0.021 . 1 . . . . 8 PHE H . 16678 1 88 . 1 1 8 8 PHE HA H 1 4.912 0.017 . 1 . . . . 8 PHE HA . 16678 1 89 . 1 1 8 8 PHE HD1 H 1 7.137 0.014 . 3 . . . . 8 PHE HD1 . 16678 1 90 . 1 1 8 8 PHE HD2 H 1 7.137 0.014 . 3 . . . . 8 PHE HD2 . 16678 1 91 . 1 1 8 8 PHE HE1 H 1 6.712 0.014 . 3 . . . . 8 PHE HE1 . 16678 1 92 . 1 1 8 8 PHE HE2 H 1 6.712 0.014 . 3 . . . . 8 PHE HE2 . 16678 1 93 . 1 1 8 8 PHE C C 13 179.305 0.005 . 1 . . . . 8 PHE C . 16678 1 94 . 1 1 8 8 PHE CA C 13 59.771 0.078 . 1 . . . . 8 PHE CA . 16678 1 95 . 1 1 8 8 PHE CB C 13 36.927 0.101 . 1 . . . . 8 PHE CB . 16678 1 96 . 1 1 8 8 PHE CD1 C 13 129.226 0.196 . 3 . . . . 8 PHE CD1 . 16678 1 97 . 1 1 8 8 PHE CD2 C 13 129.226 0.196 . 3 . . . . 8 PHE CD2 . 16678 1 98 . 1 1 8 8 PHE CE1 C 13 131.411 0.107 . 3 . . . . 8 PHE CE1 . 16678 1 99 . 1 1 8 8 PHE CE2 C 13 131.411 0.107 . 3 . . . . 8 PHE CE2 . 16678 1 100 . 1 1 8 8 PHE N N 15 116.307 0.059 . 1 . . . . 8 PHE N . 16678 1 101 . 1 1 9 9 TRP H H 1 8.790 0.010 . 1 . . . . 9 TRP H . 16678 1 102 . 1 1 9 9 TRP HA H 1 4.934 0.011 . 1 . . . . 9 TRP HA . 16678 1 103 . 1 1 9 9 TRP HB2 H 1 3.365 0.015 . 2 . . . . 9 TRP HB2 . 16678 1 104 . 1 1 9 9 TRP HB3 H 1 3.677 0.011 . 2 . . . . 9 TRP HB3 . 16678 1 105 . 1 1 9 9 TRP HD1 H 1 7.323 0.007 . 1 . . . . 9 TRP HD1 . 16678 1 106 . 1 1 9 9 TRP HE1 H 1 10.319 0.005 . 1 . . . . 9 TRP HE1 . 16678 1 107 . 1 1 9 9 TRP HE3 H 1 7.709 0.013 . 1 . . . . 9 TRP HE3 . 16678 1 108 . 1 1 9 9 TRP HH2 H 1 7.092 0.011 . 1 . . . . 9 TRP HH2 . 16678 1 109 . 1 1 9 9 TRP HZ2 H 1 7.473 0.013 . 1 . . . . 9 TRP HZ2 . 16678 1 110 . 1 1 9 9 TRP HZ3 H 1 6.948 0.011 . 1 . . . . 9 TRP HZ3 . 16678 1 111 . 1 1 9 9 TRP C C 13 179.204 0.016 . 1 . . . . 9 TRP C . 16678 1 112 . 1 1 9 9 TRP CA C 13 59.958 0.107 . 1 . . . . 9 TRP CA . 16678 1 113 . 1 1 9 9 TRP CB C 13 30.114 0.243 . 1 . . . . 9 TRP CB . 16678 1 114 . 1 1 9 9 TRP CD1 C 13 127.768 0.033 . 1 . . . . 9 TRP CD1 . 16678 1 115 . 1 1 9 9 TRP CE3 C 13 120.065 0.078 . 1 . . . . 9 TRP CE3 . 16678 1 116 . 1 1 9 9 TRP CH2 C 13 123.097 0.077 . 1 . . . . 9 TRP CH2 . 16678 1 117 . 1 1 9 9 TRP CZ2 C 13 114.506 0.070 . 1 . . . . 9 TRP CZ2 . 16678 1 118 . 1 1 9 9 TRP CZ3 C 13 120.042 0.037 . 1 . . . . 9 TRP CZ3 . 16678 1 119 . 1 1 9 9 TRP N N 15 119.161 0.051 . 1 . . . . 9 TRP N . 16678 1 120 . 1 1 9 9 TRP NE1 N 15 127.503 0.035 . 1 . . . . 9 TRP NE1 . 16678 1 121 . 1 1 10 10 LEU H H 1 8.367 0.013 . 1 . . . . 10 LEU H . 16678 1 122 . 1 1 10 10 LEU HA H 1 4.173 0.018 . 1 . . . . 10 LEU HA . 16678 1 123 . 1 1 10 10 LEU HB2 H 1 1.894 0.011 . 2 . . . . 10 LEU HB2 . 16678 1 124 . 1 1 10 10 LEU HB3 H 1 2.064 0.014 . 2 . . . . 10 LEU HB3 . 16678 1 125 . 1 1 10 10 LEU HD11 H 1 0.983 0.017 . 1 . . . . 10 LEU HD11 . 16678 1 126 . 1 1 10 10 LEU HD12 H 1 0.983 0.017 . 1 . . . . 10 LEU HD12 . 16678 1 127 . 1 1 10 10 LEU HD13 H 1 0.983 0.017 . 1 . . . . 10 LEU HD13 . 16678 1 128 . 1 1 10 10 LEU HG H 1 1.966 0.014 . 1 . . . . 10 LEU HG . 16678 1 129 . 1 1 10 10 LEU C C 13 179.275 0.035 . 1 . . . . 10 LEU C . 16678 1 130 . 1 1 10 10 LEU CA C 13 58.557 0.133 . 1 . . . . 10 LEU CA . 16678 1 131 . 1 1 10 10 LEU CB C 13 41.207 0.294 . 1 . . . . 10 LEU CB . 16678 1 132 . 1 1 10 10 LEU CD1 C 13 24.422 0.187 . 1 . . . . 10 LEU CD1 . 16678 1 133 . 1 1 10 10 LEU CG C 13 26.837 0.048 . 1 . . . . 10 LEU CG . 16678 1 134 . 1 1 10 10 LEU N N 15 119.412 0.092 . 1 . . . . 10 LEU N . 16678 1 135 . 1 1 11 11 GLY H H 1 8.156 0.018 . 1 . . . . 11 GLY H . 16678 1 136 . 1 1 11 11 GLY HA2 H 1 3.357 0.011 . 1 . . . . 11 GLY HA2 . 16678 1 137 . 1 1 11 11 GLY HA3 H 1 3.357 0.011 . 1 . . . . 11 GLY HA3 . 16678 1 138 . 1 1 11 11 GLY C C 13 174.553 0.008 . 1 . . . . 11 GLY C . 16678 1 139 . 1 1 11 11 GLY CA C 13 47.115 0.001 . 1 . . . . 11 GLY CA . 16678 1 140 . 1 1 11 11 GLY N N 15 104.586 0.068 . 1 . . . . 11 GLY N . 16678 1 141 . 1 1 12 12 ALA H H 1 8.554 0.009 . 1 . . . . 12 ALA H . 16678 1 142 . 1 1 12 12 ALA HA H 1 4.230 0.013 . 1 . . . . 12 ALA HA . 16678 1 143 . 1 1 12 12 ALA HB1 H 1 1.812 0.013 . 1 . . . . 12 ALA HB1 . 16678 1 144 . 1 1 12 12 ALA HB2 H 1 1.812 0.013 . 1 . . . . 12 ALA HB2 . 16678 1 145 . 1 1 12 12 ALA HB3 H 1 1.812 0.013 . 1 . . . . 12 ALA HB3 . 16678 1 146 . 1 1 12 12 ALA C C 13 179.818 0.029 . 1 . . . . 12 ALA C . 16678 1 147 . 1 1 12 12 ALA CA C 13 56.130 0.122 . 1 . . . . 12 ALA CA . 16678 1 148 . 1 1 12 12 ALA CB C 13 18.036 0.183 . 1 . . . . 12 ALA CB . 16678 1 149 . 1 1 12 12 ALA N N 15 122.598 0.063 . 1 . . . . 12 ALA N . 16678 1 150 . 1 1 13 13 ILE H H 1 9.012 0.010 . 1 . . . . 13 ILE H . 16678 1 151 . 1 1 13 13 ILE HA H 1 3.847 0.007 . 1 . . . . 13 ILE HA . 16678 1 152 . 1 1 13 13 ILE HB H 1 2.143 0.017 . 1 . . . . 13 ILE HB . 16678 1 153 . 1 1 13 13 ILE HD11 H 1 0.974 0.009 . 1 . . . . 13 ILE HD11 . 16678 1 154 . 1 1 13 13 ILE HD12 H 1 0.974 0.009 . 1 . . . . 13 ILE HD12 . 16678 1 155 . 1 1 13 13 ILE HD13 H 1 0.974 0.009 . 1 . . . . 13 ILE HD13 . 16678 1 156 . 1 1 13 13 ILE HG12 H 1 1.382 0.022 . 2 . . . . 13 ILE HG12 . 16678 1 157 . 1 1 13 13 ILE HG13 H 1 2.069 0.015 . 2 . . . . 13 ILE HG13 . 16678 1 158 . 1 1 13 13 ILE HG21 H 1 0.992 0.012 . 1 . . . . 13 ILE HG21 . 16678 1 159 . 1 1 13 13 ILE HG22 H 1 0.992 0.012 . 1 . . . . 13 ILE HG22 . 16678 1 160 . 1 1 13 13 ILE HG23 H 1 0.992 0.012 . 1 . . . . 13 ILE HG23 . 16678 1 161 . 1 1 13 13 ILE C C 13 178.339 0.019 . 1 . . . . 13 ILE C . 16678 1 162 . 1 1 13 13 ILE CA C 13 64.614 0.146 . 1 . . . . 13 ILE CA . 16678 1 163 . 1 1 13 13 ILE CB C 13 37.432 0.262 . 1 . . . . 13 ILE CB . 16678 1 164 . 1 1 13 13 ILE CD1 C 13 12.636 0.200 . 1 . . . . 13 ILE CD1 . 16678 1 165 . 1 1 13 13 ILE CG1 C 13 29.478 0.106 . 1 . . . . 13 ILE CG1 . 16678 1 166 . 1 1 13 13 ILE CG2 C 13 17.241 0.232 . 1 . . . . 13 ILE CG2 . 16678 1 167 . 1 1 13 13 ILE N N 15 115.765 0.054 . 1 . . . . 13 ILE N . 16678 1 168 . 1 1 14 14 GLY H H 1 8.849 0.011 . 1 . . . . 14 GLY H . 16678 1 169 . 1 1 14 14 GLY HA2 H 1 3.712 0.021 . 1 . . . . 14 GLY HA2 . 16678 1 170 . 1 1 14 14 GLY HA3 H 1 3.712 0.021 . 1 . . . . 14 GLY HA3 . 16678 1 171 . 1 1 14 14 GLY C C 13 175.146 0.018 . 1 . . . . 14 GLY C . 16678 1 172 . 1 1 14 14 GLY CA C 13 47.659 0.142 . 1 . . . . 14 GLY CA . 16678 1 173 . 1 1 14 14 GLY N N 15 107.025 0.044 . 1 . . . . 14 GLY N . 16678 1 174 . 1 1 15 15 MET H H 1 8.516 0.014 . 1 . . . . 15 MET H . 16678 1 175 . 1 1 15 15 MET HA H 1 4.460 0.009 . 1 . . . . 15 MET HA . 16678 1 176 . 1 1 15 15 MET HE1 H 1 2.197 0.009 . 1 . . . . 15 MET HE1 . 16678 1 177 . 1 1 15 15 MET HE2 H 1 2.197 0.009 . 1 . . . . 15 MET HE2 . 16678 1 178 . 1 1 15 15 MET HE3 H 1 2.197 0.009 . 1 . . . . 15 MET HE3 . 16678 1 179 . 1 1 15 15 MET C C 13 181.077 0.002 . 1 . . . . 15 MET C . 16678 1 180 . 1 1 15 15 MET CA C 13 57.121 0.098 . 1 . . . . 15 MET CA . 16678 1 181 . 1 1 15 15 MET CB C 13 30.113 0.020 . 1 . . . . 15 MET CB . 16678 1 182 . 1 1 15 15 MET CE C 13 19.690 0.103 . 1 . . . . 15 MET CE . 16678 1 183 . 1 1 15 15 MET N N 15 117.087 0.059 . 1 . . . . 15 MET N . 16678 1 184 . 1 1 16 16 LEU H H 1 8.994 0.010 . 1 . . . . 16 LEU H . 16678 1 185 . 1 1 16 16 LEU HA H 1 4.110 0.017 . 1 . . . . 16 LEU HA . 16678 1 186 . 1 1 16 16 LEU HB2 H 1 1.972 0.015 . 2 . . . . 16 LEU HB2 . 16678 1 187 . 1 1 16 16 LEU HB3 H 1 2.117 0.009 . 2 . . . . 16 LEU HB3 . 16678 1 188 . 1 1 16 16 LEU HD11 H 1 0.993 0.017 . 2 . . . . 16 LEU HD11 . 16678 1 189 . 1 1 16 16 LEU HD12 H 1 0.993 0.017 . 2 . . . . 16 LEU HD12 . 16678 1 190 . 1 1 16 16 LEU HD13 H 1 0.993 0.017 . 2 . . . . 16 LEU HD13 . 16678 1 191 . 1 1 16 16 LEU HD21 H 1 0.994 0.018 . 2 . . . . 16 LEU HD21 . 16678 1 192 . 1 1 16 16 LEU HD22 H 1 0.994 0.018 . 2 . . . . 16 LEU HD22 . 16678 1 193 . 1 1 16 16 LEU HD23 H 1 0.994 0.018 . 2 . . . . 16 LEU HD23 . 16678 1 194 . 1 1 16 16 LEU C C 13 178.165 0.009 . 1 . . . . 16 LEU C . 16678 1 195 . 1 1 16 16 LEU CA C 13 58.440 0.162 . 1 . . . . 16 LEU CA . 16678 1 196 . 1 1 16 16 LEU CB C 13 41.911 0.230 . 1 . . . . 16 LEU CB . 16678 1 197 . 1 1 16 16 LEU CD1 C 13 24.989 0.067 . 2 . . . . 16 LEU CD1 . 16678 1 198 . 1 1 16 16 LEU CD2 C 13 23.406 0.103 . 2 . . . . 16 LEU CD2 . 16678 1 199 . 1 1 16 16 LEU N N 15 124.293 0.081 . 1 . . . . 16 LEU N . 16678 1 200 . 1 1 17 17 VAL H H 1 8.668 0.009 . 1 . . . . 17 VAL H . 16678 1 201 . 1 1 17 17 VAL HA H 1 3.601 0.015 . 1 . . . . 17 VAL HA . 16678 1 202 . 1 1 17 17 VAL HB H 1 2.399 0.017 . 1 . . . . 17 VAL HB . 16678 1 203 . 1 1 17 17 VAL HG11 H 1 0.999 0.017 . 2 . . . . 17 VAL HG11 . 16678 1 204 . 1 1 17 17 VAL HG12 H 1 0.999 0.017 . 2 . . . . 17 VAL HG12 . 16678 1 205 . 1 1 17 17 VAL HG13 H 1 0.999 0.017 . 2 . . . . 17 VAL HG13 . 16678 1 206 . 1 1 17 17 VAL HG21 H 1 1.162 0.008 . 2 . . . . 17 VAL HG21 . 16678 1 207 . 1 1 17 17 VAL HG22 H 1 1.162 0.008 . 2 . . . . 17 VAL HG22 . 16678 1 208 . 1 1 17 17 VAL HG23 H 1 1.162 0.008 . 2 . . . . 17 VAL HG23 . 16678 1 209 . 1 1 17 17 VAL C C 13 177.932 0.000 . 1 . . . . 17 VAL C . 16678 1 210 . 1 1 17 17 VAL CA C 13 67.286 0.121 . 1 . . . . 17 VAL CA . 16678 1 211 . 1 1 17 17 VAL CB C 13 30.810 0.338 . 1 . . . . 17 VAL CB . 16678 1 212 . 1 1 17 17 VAL CG1 C 13 21.486 0.091 . 2 . . . . 17 VAL CG1 . 16678 1 213 . 1 1 17 17 VAL CG2 C 13 22.997 0.034 . 2 . . . . 17 VAL CG2 . 16678 1 214 . 1 1 17 17 VAL N N 15 118.238 0.048 . 1 . . . . 17 VAL N . 16678 1 215 . 1 1 18 18 GLY H H 1 7.971 0.009 . 1 . . . . 18 GLY H . 16678 1 216 . 1 1 18 18 GLY HA2 H 1 3.558 0.027 . 1 . . . . 18 GLY HA2 . 16678 1 217 . 1 1 18 18 GLY HA3 H 1 3.558 0.027 . 1 . . . . 18 GLY HA3 . 16678 1 218 . 1 1 18 18 GLY C C 13 172.171 0.002 . 1 . . . . 18 GLY C . 16678 1 219 . 1 1 18 18 GLY CA C 13 47.686 0.008 . 1 . . . . 18 GLY CA . 16678 1 220 . 1 1 18 18 GLY N N 15 103.601 0.064 . 1 . . . . 18 GLY N . 16678 1 221 . 1 1 19 19 THR H H 1 8.418 0.011 . 1 . . . . 19 THR H . 16678 1 222 . 1 1 19 19 THR HA H 1 4.842 0.030 . 1 . . . . 19 THR HA . 16678 1 223 . 1 1 19 19 THR HB H 1 4.608 0.024 . 1 . . . . 19 THR HB . 16678 1 224 . 1 1 19 19 THR HG21 H 1 1.429 0.010 . 1 . . . . 19 THR HG21 . 16678 1 225 . 1 1 19 19 THR HG22 H 1 1.429 0.010 . 1 . . . . 19 THR HG22 . 16678 1 226 . 1 1 19 19 THR HG23 H 1 1.429 0.010 . 1 . . . . 19 THR HG23 . 16678 1 227 . 1 1 19 19 THR CA C 13 68.240 0.000 . 1 . . . . 19 THR CA . 16678 1 228 . 1 1 19 19 THR CG2 C 13 21.363 0.082 . 1 . . . . 19 THR CG2 . 16678 1 229 . 1 1 19 19 THR N N 15 116.322 0.099 . 1 . . . . 19 THR N . 16678 1 230 . 1 1 20 20 LEU H H 1 8.232 0.017 . 1 . . . . 20 LEU H . 16678 1 231 . 1 1 20 20 LEU HA H 1 4.127 0.013 . 1 . . . . 20 LEU HA . 16678 1 232 . 1 1 20 20 LEU HB2 H 1 1.531 0.019 . 2 . . . . 20 LEU HB2 . 16678 1 233 . 1 1 20 20 LEU HB3 H 1 2.061 0.018 . 2 . . . . 20 LEU HB3 . 16678 1 234 . 1 1 20 20 LEU HD11 H 1 0.961 0.014 . 2 . . . . 20 LEU HD11 . 16678 1 235 . 1 1 20 20 LEU HD12 H 1 0.961 0.014 . 2 . . . . 20 LEU HD12 . 16678 1 236 . 1 1 20 20 LEU HD13 H 1 0.961 0.014 . 2 . . . . 20 LEU HD13 . 16678 1 237 . 1 1 20 20 LEU HD21 H 1 0.963 0.012 . 2 . . . . 20 LEU HD21 . 16678 1 238 . 1 1 20 20 LEU HD22 H 1 0.963 0.012 . 2 . . . . 20 LEU HD22 . 16678 1 239 . 1 1 20 20 LEU HD23 H 1 0.963 0.012 . 2 . . . . 20 LEU HD23 . 16678 1 240 . 1 1 20 20 LEU HG H 1 2.069 0.016 . 1 . . . . 20 LEU HG . 16678 1 241 . 1 1 20 20 LEU C C 13 178.200 0.018 . 1 . . . . 20 LEU C . 16678 1 242 . 1 1 20 20 LEU CA C 13 57.970 0.104 . 1 . . . . 20 LEU CA . 16678 1 243 . 1 1 20 20 LEU CB C 13 41.484 0.313 . 1 . . . . 20 LEU CB . 16678 1 244 . 1 1 20 20 LEU CD1 C 13 22.765 0.110 . 2 . . . . 20 LEU CD1 . 16678 1 245 . 1 1 20 20 LEU CD2 C 13 25.235 0.069 . 2 . . . . 20 LEU CD2 . 16678 1 246 . 1 1 20 20 LEU CG C 13 26.764 0.112 . 1 . . . . 20 LEU CG . 16678 1 247 . 1 1 20 20 LEU N N 15 118.072 0.063 . 1 . . . . 20 LEU N . 16678 1 248 . 1 1 21 21 ALA H H 1 8.182 0.010 . 1 . . . . 21 ALA H . 16678 1 249 . 1 1 21 21 ALA HA H 1 4.247 0.008 . 1 . . . . 21 ALA HA . 16678 1 250 . 1 1 21 21 ALA HB1 H 1 1.520 0.018 . 1 . . . . 21 ALA HB1 . 16678 1 251 . 1 1 21 21 ALA HB2 H 1 1.520 0.018 . 1 . . . . 21 ALA HB2 . 16678 1 252 . 1 1 21 21 ALA HB3 H 1 1.520 0.018 . 1 . . . . 21 ALA HB3 . 16678 1 253 . 1 1 21 21 ALA C C 13 180.160 0.004 . 1 . . . . 21 ALA C . 16678 1 254 . 1 1 21 21 ALA CA C 13 55.509 0.127 . 1 . . . . 21 ALA CA . 16678 1 255 . 1 1 21 21 ALA CB C 13 17.868 0.198 . 1 . . . . 21 ALA CB . 16678 1 256 . 1 1 21 21 ALA N N 15 120.549 0.058 . 1 . . . . 21 ALA N . 16678 1 257 . 1 1 22 22 PHE H H 1 8.751 0.015 . 1 . . . . 22 PHE H . 16678 1 258 . 1 1 22 22 PHE HA H 1 4.880 0.008 . 1 . . . . 22 PHE HA . 16678 1 259 . 1 1 22 22 PHE HB2 H 1 3.363 0.015 . 2 . . . . 22 PHE HB2 . 16678 1 260 . 1 1 22 22 PHE HB3 H 1 3.533 0.014 . 2 . . . . 22 PHE HB3 . 16678 1 261 . 1 1 22 22 PHE HD1 H 1 7.204 0.016 . 3 . . . . 22 PHE HD1 . 16678 1 262 . 1 1 22 22 PHE HD2 H 1 7.204 0.016 . 3 . . . . 22 PHE HD2 . 16678 1 263 . 1 1 22 22 PHE HE1 H 1 7.142 0.020 . 3 . . . . 22 PHE HE1 . 16678 1 264 . 1 1 22 22 PHE HE2 H 1 7.142 0.020 . 3 . . . . 22 PHE HE2 . 16678 1 265 . 1 1 22 22 PHE C C 13 178.064 0.004 . 1 . . . . 22 PHE C . 16678 1 266 . 1 1 22 22 PHE CA C 13 58.324 0.192 . 1 . . . . 22 PHE CA . 16678 1 267 . 1 1 22 22 PHE CB C 13 37.253 0.187 . 1 . . . . 22 PHE CB . 16678 1 268 . 1 1 22 22 PHE CD1 C 13 131.971 0.033 . 3 . . . . 22 PHE CD1 . 16678 1 269 . 1 1 22 22 PHE CD2 C 13 131.971 0.033 . 3 . . . . 22 PHE CD2 . 16678 1 270 . 1 1 22 22 PHE CE1 C 13 131.815 0.136 . 3 . . . . 22 PHE CE1 . 16678 1 271 . 1 1 22 22 PHE CE2 C 13 131.815 0.136 . 3 . . . . 22 PHE CE2 . 16678 1 272 . 1 1 22 22 PHE N N 15 117.331 0.052 . 1 . . . . 22 PHE N . 16678 1 273 . 1 1 23 23 ALA H H 1 8.594 0.013 . 1 . . . . 23 ALA H . 16678 1 274 . 1 1 23 23 ALA HA H 1 4.221 0.016 . 1 . . . . 23 ALA HA . 16678 1 275 . 1 1 23 23 ALA HB1 H 1 1.701 0.009 . 1 . . . . 23 ALA HB1 . 16678 1 276 . 1 1 23 23 ALA HB2 H 1 1.701 0.009 . 1 . . . . 23 ALA HB2 . 16678 1 277 . 1 1 23 23 ALA HB3 H 1 1.701 0.009 . 1 . . . . 23 ALA HB3 . 16678 1 278 . 1 1 23 23 ALA C C 13 179.392 0.010 . 1 . . . . 23 ALA C . 16678 1 279 . 1 1 23 23 ALA CA C 13 54.809 0.133 . 1 . . . . 23 ALA CA . 16678 1 280 . 1 1 23 23 ALA CB C 13 17.980 0.204 . 1 . . . . 23 ALA CB . 16678 1 281 . 1 1 23 23 ALA N N 15 120.566 0.035 . 1 . . . . 23 ALA N . 16678 1 282 . 1 1 24 24 TRP H H 1 8.794 0.018 . 1 . . . . 24 TRP H . 16678 1 283 . 1 1 24 24 TRP HA H 1 4.347 0.011 . 1 . . . . 24 TRP HA . 16678 1 284 . 1 1 24 24 TRP HB2 H 1 3.529 0.010 . 2 . . . . 24 TRP HB2 . 16678 1 285 . 1 1 24 24 TRP HB3 H 1 3.640 0.014 . 2 . . . . 24 TRP HB3 . 16678 1 286 . 1 1 24 24 TRP HD1 H 1 7.271 0.009 . 1 . . . . 24 TRP HD1 . 16678 1 287 . 1 1 24 24 TRP HE1 H 1 10.360 0.005 . 1 . . . . 24 TRP HE1 . 16678 1 288 . 1 1 24 24 TRP HE3 H 1 7.629 0.014 . 1 . . . . 24 TRP HE3 . 16678 1 289 . 1 1 24 24 TRP HH2 H 1 7.323 0.006 . 1 . . . . 24 TRP HH2 . 16678 1 290 . 1 1 24 24 TRP HZ2 H 1 7.624 0.005 . 1 . . . . 24 TRP HZ2 . 16678 1 291 . 1 1 24 24 TRP HZ3 H 1 7.167 0.004 . 1 . . . . 24 TRP HZ3 . 16678 1 292 . 1 1 24 24 TRP C C 13 179.822 0.008 . 1 . . . . 24 TRP C . 16678 1 293 . 1 1 24 24 TRP CA C 13 60.535 0.157 . 1 . . . . 24 TRP CA . 16678 1 294 . 1 1 24 24 TRP CB C 13 29.317 0.156 . 1 . . . . 24 TRP CB . 16678 1 295 . 1 1 24 24 TRP CD1 C 13 125.995 0.045 . 1 . . . . 24 TRP CD1 . 16678 1 296 . 1 1 24 24 TRP CE3 C 13 119.704 0.072 . 1 . . . . 24 TRP CE3 . 16678 1 297 . 1 1 24 24 TRP CH2 C 13 124.344 0.062 . 1 . . . . 24 TRP CH2 . 16678 1 298 . 1 1 24 24 TRP CZ2 C 13 114.586 0.029 . 1 . . . . 24 TRP CZ2 . 16678 1 299 . 1 1 24 24 TRP CZ3 C 13 121.319 0.031 . 1 . . . . 24 TRP CZ3 . 16678 1 300 . 1 1 24 24 TRP N N 15 117.880 0.071 . 1 . . . . 24 TRP N . 16678 1 301 . 1 1 24 24 TRP NE1 N 15 128.919 0.041 . 1 . . . . 24 TRP NE1 . 16678 1 302 . 1 1 25 25 ALA H H 1 8.759 0.009 . 1 . . . . 25 ALA H . 16678 1 303 . 1 1 25 25 ALA HA H 1 4.074 0.015 . 1 . . . . 25 ALA HA . 16678 1 304 . 1 1 25 25 ALA HB1 H 1 1.891 0.008 . 1 . . . . 25 ALA HB1 . 16678 1 305 . 1 1 25 25 ALA HB2 H 1 1.891 0.008 . 1 . . . . 25 ALA HB2 . 16678 1 306 . 1 1 25 25 ALA HB3 H 1 1.891 0.008 . 1 . . . . 25 ALA HB3 . 16678 1 307 . 1 1 25 25 ALA C C 13 179.088 0.014 . 1 . . . . 25 ALA C . 16678 1 308 . 1 1 25 25 ALA CA C 13 54.553 0.116 . 1 . . . . 25 ALA CA . 16678 1 309 . 1 1 25 25 ALA CB C 13 18.886 0.173 . 1 . . . . 25 ALA CB . 16678 1 310 . 1 1 25 25 ALA N N 15 120.186 0.059 . 1 . . . . 25 ALA N . 16678 1 311 . 1 1 26 26 GLY H H 1 7.818 0.013 . 1 . . . . 26 GLY H . 16678 1 312 . 1 1 26 26 GLY HA2 H 1 3.032 0.005 . 2 . . . . 26 GLY HA2 . 16678 1 313 . 1 1 26 26 GLY HA3 H 1 3.161 0.004 . 2 . . . . 26 GLY HA3 . 16678 1 314 . 1 1 26 26 GLY C C 13 175.440 0.000 . 1 . . . . 26 GLY C . 16678 1 315 . 1 1 26 26 GLY CA C 13 44.734 0.010 . 1 . . . . 26 GLY CA . 16678 1 316 . 1 1 26 26 GLY N N 15 102.977 0.059 . 1 . . . . 26 GLY N . 16678 1 317 . 1 1 27 27 ARG H H 1 7.366 0.013 . 1 . . . . 27 ARG H . 16678 1 318 . 1 1 27 27 ARG HA H 1 4.039 0.009 . 1 . . . . 27 ARG HA . 16678 1 319 . 1 1 27 27 ARG HB2 H 1 1.768 0.007 . 2 . . . . 27 ARG HB2 . 16678 1 320 . 1 1 27 27 ARG HB3 H 1 1.900 0.013 . 2 . . . . 27 ARG HB3 . 16678 1 321 . 1 1 27 27 ARG HD2 H 1 3.057 0.021 . 2 . . . . 27 ARG HD2 . 16678 1 322 . 1 1 27 27 ARG HD3 H 1 3.165 0.000 . 2 . . . . 27 ARG HD3 . 16678 1 323 . 1 1 27 27 ARG HG2 H 1 1.474 0.026 . 2 . . . . 27 ARG HG2 . 16678 1 324 . 1 1 27 27 ARG HG3 H 1 1.644 0.000 . 2 . . . . 27 ARG HG3 . 16678 1 325 . 1 1 27 27 ARG C C 13 176.151 0.039 . 1 . . . . 27 ARG C . 16678 1 326 . 1 1 27 27 ARG CA C 13 59.003 0.062 . 1 . . . . 27 ARG CA . 16678 1 327 . 1 1 27 27 ARG CB C 13 29.169 0.261 . 1 . . . . 27 ARG CB . 16678 1 328 . 1 1 27 27 ARG N N 15 120.002 0.062 . 1 . . . . 27 ARG N . 16678 1 329 . 1 1 28 28 ASP H H 1 7.923 0.016 . 1 . . . . 28 ASP H . 16678 1 330 . 1 1 28 28 ASP HA H 1 4.948 0.005 . 1 . . . . 28 ASP HA . 16678 1 331 . 1 1 28 28 ASP HB2 H 1 2.532 0.021 . 2 . . . . 28 ASP HB2 . 16678 1 332 . 1 1 28 28 ASP HB3 H 1 2.830 0.016 . 2 . . . . 28 ASP HB3 . 16678 1 333 . 1 1 28 28 ASP C C 13 175.963 0.001 . 1 . . . . 28 ASP C . 16678 1 334 . 1 1 28 28 ASP CA C 13 53.081 0.081 . 1 . . . . 28 ASP CA . 16678 1 335 . 1 1 28 28 ASP CB C 13 40.852 0.120 . 1 . . . . 28 ASP CB . 16678 1 336 . 1 1 28 28 ASP N N 15 117.175 0.050 . 1 . . . . 28 ASP N . 16678 1 337 . 1 1 29 29 ALA H H 1 7.324 0.008 . 1 . . . . 29 ALA H . 16678 1 338 . 1 1 29 29 ALA HA H 1 4.336 0.006 . 1 . . . . 29 ALA HA . 16678 1 339 . 1 1 29 29 ALA HB1 H 1 1.476 0.015 . 1 . . . . 29 ALA HB1 . 16678 1 340 . 1 1 29 29 ALA HB2 H 1 1.476 0.015 . 1 . . . . 29 ALA HB2 . 16678 1 341 . 1 1 29 29 ALA HB3 H 1 1.476 0.015 . 1 . . . . 29 ALA HB3 . 16678 1 342 . 1 1 29 29 ALA C C 13 178.642 0.004 . 1 . . . . 29 ALA C . 16678 1 343 . 1 1 29 29 ALA CA C 13 52.461 0.057 . 1 . . . . 29 ALA CA . 16678 1 344 . 1 1 29 29 ALA CB C 13 19.811 0.193 . 1 . . . . 29 ALA CB . 16678 1 345 . 1 1 29 29 ALA N N 15 122.363 0.049 . 1 . . . . 29 ALA N . 16678 1 346 . 1 1 30 30 GLY H H 1 8.874 0.011 . 1 . . . . 30 GLY H . 16678 1 347 . 1 1 30 30 GLY HA2 H 1 4.145 0.022 . 2 . . . . 30 GLY HA2 . 16678 1 348 . 1 1 30 30 GLY HA3 H 1 4.147 0.023 . 2 . . . . 30 GLY HA3 . 16678 1 349 . 1 1 30 30 GLY C C 13 175.076 0.000 . 1 . . . . 30 GLY C . 16678 1 350 . 1 1 30 30 GLY CA C 13 44.344 0.100 . 1 . . . . 30 GLY CA . 16678 1 351 . 1 1 30 30 GLY N N 15 108.736 0.063 . 1 . . . . 30 GLY N . 16678 1 352 . 1 1 31 31 SER H H 1 8.753 0.006 . 1 . . . . 31 SER H . 16678 1 353 . 1 1 31 31 SER HA H 1 4.710 0.007 . 1 . . . . 31 SER HA . 16678 1 354 . 1 1 31 31 SER N N 15 114.719 0.018 . 1 . . . . 31 SER N . 16678 1 355 . 1 1 32 32 GLY H H 1 9.102 0.005 . 1 . . . . 32 GLY H . 16678 1 356 . 1 1 32 32 GLY C C 13 175.442 0.000 . 1 . . . . 32 GLY C . 16678 1 357 . 1 1 32 32 GLY CA C 13 46.267 0.000 . 1 . . . . 32 GLY CA . 16678 1 358 . 1 1 32 32 GLY N N 15 109.982 0.027 . 1 . . . . 32 GLY N . 16678 1 359 . 1 1 33 33 GLU H H 1 8.201 0.014 . 1 . . . . 33 GLU H . 16678 1 360 . 1 1 33 33 GLU HB2 H 1 1.911 0.009 . 2 . . . . 33 GLU HB2 . 16678 1 361 . 1 1 33 33 GLU HB3 H 1 2.088 0.002 . 2 . . . . 33 GLU HB3 . 16678 1 362 . 1 1 33 33 GLU HG2 H 1 2.502 0.009 . 1 . . . . 33 GLU HG2 . 16678 1 363 . 1 1 33 33 GLU HG3 H 1 2.502 0.009 . 1 . . . . 33 GLU HG3 . 16678 1 364 . 1 1 33 33 GLU C C 13 178.491 0.006 . 1 . . . . 33 GLU C . 16678 1 365 . 1 1 33 33 GLU CA C 13 57.258 0.026 . 1 . . . . 33 GLU CA . 16678 1 366 . 1 1 33 33 GLU CB C 13 30.730 0.001 . 1 . . . . 33 GLU CB . 16678 1 367 . 1 1 33 33 GLU N N 15 118.265 0.093 . 1 . . . . 33 GLU N . 16678 1 368 . 1 1 34 34 ARG H H 1 8.353 0.009 . 1 . . . . 34 ARG H . 16678 1 369 . 1 1 34 34 ARG HA H 1 4.773 0.020 . 1 . . . . 34 ARG HA . 16678 1 370 . 1 1 34 34 ARG C C 13 177.833 0.014 . 1 . . . . 34 ARG C . 16678 1 371 . 1 1 34 34 ARG CA C 13 60.689 0.001 . 1 . . . . 34 ARG CA . 16678 1 372 . 1 1 34 34 ARG CB C 13 29.625 0.023 . 1 . . . . 34 ARG CB . 16678 1 373 . 1 1 34 34 ARG N N 15 120.275 0.037 . 1 . . . . 34 ARG N . 16678 1 374 . 1 1 35 35 ARG H H 1 8.493 0.012 . 1 . . . . 35 ARG H . 16678 1 375 . 1 1 35 35 ARG HA H 1 4.245 0.011 . 1 . . . . 35 ARG HA . 16678 1 376 . 1 1 35 35 ARG C C 13 178.510 0.011 . 1 . . . . 35 ARG C . 16678 1 377 . 1 1 35 35 ARG CA C 13 58.841 0.144 . 1 . . . . 35 ARG CA . 16678 1 378 . 1 1 35 35 ARG CB C 13 29.053 0.102 . 1 . . . . 35 ARG CB . 16678 1 379 . 1 1 35 35 ARG N N 15 115.086 0.066 . 1 . . . . 35 ARG N . 16678 1 380 . 1 1 36 36 TYR H H 1 7.725 0.007 . 1 . . . . 36 TYR H . 16678 1 381 . 1 1 36 36 TYR HA H 1 4.099 0.024 . 1 . . . . 36 TYR HA . 16678 1 382 . 1 1 36 36 TYR HB2 H 1 2.906 0.017 . 2 . . . . 36 TYR HB2 . 16678 1 383 . 1 1 36 36 TYR HB3 H 1 2.990 0.026 . 2 . . . . 36 TYR HB3 . 16678 1 384 . 1 1 36 36 TYR HD1 H 1 6.691 0.018 . 3 . . . . 36 TYR HD1 . 16678 1 385 . 1 1 36 36 TYR HD2 H 1 6.691 0.018 . 3 . . . . 36 TYR HD2 . 16678 1 386 . 1 1 36 36 TYR HE1 H 1 6.627 0.015 . 3 . . . . 36 TYR HE1 . 16678 1 387 . 1 1 36 36 TYR HE2 H 1 6.627 0.015 . 3 . . . . 36 TYR HE2 . 16678 1 388 . 1 1 36 36 TYR C C 13 177.695 0.002 . 1 . . . . 36 TYR C . 16678 1 389 . 1 1 36 36 TYR CA C 13 62.066 0.164 . 1 . . . . 36 TYR CA . 16678 1 390 . 1 1 36 36 TYR CB C 13 37.465 0.178 . 1 . . . . 36 TYR CB . 16678 1 391 . 1 1 36 36 TYR CD1 C 13 132.033 0.076 . 3 . . . . 36 TYR CD1 . 16678 1 392 . 1 1 36 36 TYR CD2 C 13 132.033 0.076 . 3 . . . . 36 TYR CD2 . 16678 1 393 . 1 1 36 36 TYR CE1 C 13 118.349 0.031 . 3 . . . . 36 TYR CE1 . 16678 1 394 . 1 1 36 36 TYR CE2 C 13 118.349 0.031 . 3 . . . . 36 TYR CE2 . 16678 1 395 . 1 1 36 36 TYR N N 15 118.149 0.052 . 1 . . . . 36 TYR N . 16678 1 396 . 1 1 37 37 TYR H H 1 7.383 0.014 . 1 . . . . 37 TYR H . 16678 1 397 . 1 1 37 37 TYR HA H 1 4.296 0.013 . 1 . . . . 37 TYR HA . 16678 1 398 . 1 1 37 37 TYR HB2 H 1 3.158 0.005 . 2 . . . . 37 TYR HB2 . 16678 1 399 . 1 1 37 37 TYR HB3 H 1 3.274 0.012 . 2 . . . . 37 TYR HB3 . 16678 1 400 . 1 1 37 37 TYR HD1 H 1 7.361 0.013 . 3 . . . . 37 TYR HD1 . 16678 1 401 . 1 1 37 37 TYR HD2 H 1 7.361 0.013 . 3 . . . . 37 TYR HD2 . 16678 1 402 . 1 1 37 37 TYR HE1 H 1 6.871 0.009 . 3 . . . . 37 TYR HE1 . 16678 1 403 . 1 1 37 37 TYR HE2 H 1 6.871 0.009 . 3 . . . . 37 TYR HE2 . 16678 1 404 . 1 1 37 37 TYR C C 13 178.356 0.015 . 1 . . . . 37 TYR C . 16678 1 405 . 1 1 37 37 TYR CA C 13 62.678 0.143 . 1 . . . . 37 TYR CA . 16678 1 406 . 1 1 37 37 TYR CB C 13 38.422 0.259 . 1 . . . . 37 TYR CB . 16678 1 407 . 1 1 37 37 TYR CD1 C 13 132.452 0.090 . 3 . . . . 37 TYR CD1 . 16678 1 408 . 1 1 37 37 TYR CD2 C 13 132.452 0.090 . 3 . . . . 37 TYR CD2 . 16678 1 409 . 1 1 37 37 TYR CE1 C 13 118.261 0.168 . 3 . . . . 37 TYR CE1 . 16678 1 410 . 1 1 37 37 TYR CE2 C 13 118.261 0.168 . 3 . . . . 37 TYR CE2 . 16678 1 411 . 1 1 37 37 TYR N N 15 116.158 0.088 . 1 . . . . 37 TYR N . 16678 1 412 . 1 1 38 38 VAL H H 1 8.796 0.012 . 1 . . . . 38 VAL H . 16678 1 413 . 1 1 38 38 VAL HA H 1 3.778 0.014 . 1 . . . . 38 VAL HA . 16678 1 414 . 1 1 38 38 VAL HB H 1 2.305 0.010 . 1 . . . . 38 VAL HB . 16678 1 415 . 1 1 38 38 VAL HG11 H 1 1.171 0.011 . 2 . . . . 38 VAL HG11 . 16678 1 416 . 1 1 38 38 VAL HG12 H 1 1.171 0.011 . 2 . . . . 38 VAL HG12 . 16678 1 417 . 1 1 38 38 VAL HG13 H 1 1.171 0.011 . 2 . . . . 38 VAL HG13 . 16678 1 418 . 1 1 38 38 VAL HG21 H 1 1.292 0.009 . 2 . . . . 38 VAL HG21 . 16678 1 419 . 1 1 38 38 VAL HG22 H 1 1.292 0.009 . 2 . . . . 38 VAL HG22 . 16678 1 420 . 1 1 38 38 VAL HG23 H 1 1.292 0.009 . 2 . . . . 38 VAL HG23 . 16678 1 421 . 1 1 38 38 VAL C C 13 177.535 0.023 . 1 . . . . 38 VAL C . 16678 1 422 . 1 1 38 38 VAL CA C 13 66.739 0.114 . 1 . . . . 38 VAL CA . 16678 1 423 . 1 1 38 38 VAL CB C 13 31.340 0.193 . 1 . . . . 38 VAL CB . 16678 1 424 . 1 1 38 38 VAL CG1 C 13 21.748 0.207 . 2 . . . . 38 VAL CG1 . 16678 1 425 . 1 1 38 38 VAL CG2 C 13 23.239 0.106 . 2 . . . . 38 VAL CG2 . 16678 1 426 . 1 1 38 38 VAL N N 15 117.057 0.052 . 1 . . . . 38 VAL N . 16678 1 427 . 1 1 39 39 THR H H 1 7.728 0.011 . 1 . . . . 39 THR H . 16678 1 428 . 1 1 39 39 THR HA H 1 4.041 0.016 . 1 . . . . 39 THR HA . 16678 1 429 . 1 1 39 39 THR HB H 1 4.747 0.023 . 1 . . . . 39 THR HB . 16678 1 430 . 1 1 39 39 THR HG21 H 1 1.751 0.016 . 1 . . . . 39 THR HG21 . 16678 1 431 . 1 1 39 39 THR HG22 H 1 1.751 0.016 . 1 . . . . 39 THR HG22 . 16678 1 432 . 1 1 39 39 THR HG23 H 1 1.751 0.016 . 1 . . . . 39 THR HG23 . 16678 1 433 . 1 1 39 39 THR C C 13 175.958 0.000 . 1 . . . . 39 THR C . 16678 1 434 . 1 1 39 39 THR CA C 13 68.889 0.150 . 1 . . . . 39 THR CA . 16678 1 435 . 1 1 39 39 THR CB C 13 67.835 0.110 . 1 . . . . 39 THR CB . 16678 1 436 . 1 1 39 39 THR CG2 C 13 23.941 0.076 . 1 . . . . 39 THR CG2 . 16678 1 437 . 1 1 39 39 THR N N 15 115.513 0.071 . 1 . . . . 39 THR N . 16678 1 438 . 1 1 40 40 LEU H H 1 7.531 0.012 . 1 . . . . 40 LEU H . 16678 1 439 . 1 1 40 40 LEU HA H 1 4.152 0.013 . 1 . . . . 40 LEU HA . 16678 1 440 . 1 1 40 40 LEU HB2 H 1 1.008 0.011 . 2 . . . . 40 LEU HB2 . 16678 1 441 . 1 1 40 40 LEU HB3 H 1 2.073 0.009 . 2 . . . . 40 LEU HB3 . 16678 1 442 . 1 1 40 40 LEU HD11 H 1 0.412 0.015 . 2 . . . . 40 LEU HD11 . 16678 1 443 . 1 1 40 40 LEU HD12 H 1 0.412 0.015 . 2 . . . . 40 LEU HD12 . 16678 1 444 . 1 1 40 40 LEU HD13 H 1 0.412 0.015 . 2 . . . . 40 LEU HD13 . 16678 1 445 . 1 1 40 40 LEU HD21 H 1 0.515 0.011 . 2 . . . . 40 LEU HD21 . 16678 1 446 . 1 1 40 40 LEU HD22 H 1 0.515 0.011 . 2 . . . . 40 LEU HD22 . 16678 1 447 . 1 1 40 40 LEU HD23 H 1 0.515 0.011 . 2 . . . . 40 LEU HD23 . 16678 1 448 . 1 1 40 40 LEU HG H 1 2.078 0.005 . 1 . . . . 40 LEU HG . 16678 1 449 . 1 1 40 40 LEU C C 13 178.734 0.017 . 1 . . . . 40 LEU C . 16678 1 450 . 1 1 40 40 LEU CA C 13 58.361 0.114 . 1 . . . . 40 LEU CA . 16678 1 451 . 1 1 40 40 LEU CB C 13 40.533 0.310 . 1 . . . . 40 LEU CB . 16678 1 452 . 1 1 40 40 LEU CD1 C 13 21.852 0.097 . 2 . . . . 40 LEU CD1 . 16678 1 453 . 1 1 40 40 LEU CD2 C 13 25.294 0.157 . 2 . . . . 40 LEU CD2 . 16678 1 454 . 1 1 40 40 LEU CG C 13 25.772 0.044 . 1 . . . . 40 LEU CG . 16678 1 455 . 1 1 40 40 LEU N N 15 118.372 0.101 . 1 . . . . 40 LEU N . 16678 1 456 . 1 1 41 41 VAL H H 1 8.318 0.012 . 1 . . . . 41 VAL H . 16678 1 457 . 1 1 41 41 VAL HA H 1 4.078 0.017 . 1 . . . . 41 VAL HA . 16678 1 458 . 1 1 41 41 VAL HB H 1 2.587 0.015 . 1 . . . . 41 VAL HB . 16678 1 459 . 1 1 41 41 VAL HG11 H 1 1.163 0.015 . 2 . . . . 41 VAL HG11 . 16678 1 460 . 1 1 41 41 VAL HG12 H 1 1.163 0.015 . 2 . . . . 41 VAL HG12 . 16678 1 461 . 1 1 41 41 VAL HG13 H 1 1.163 0.015 . 2 . . . . 41 VAL HG13 . 16678 1 462 . 1 1 41 41 VAL HG21 H 1 1.460 0.013 . 2 . . . . 41 VAL HG21 . 16678 1 463 . 1 1 41 41 VAL HG22 H 1 1.460 0.013 . 2 . . . . 41 VAL HG22 . 16678 1 464 . 1 1 41 41 VAL HG23 H 1 1.460 0.013 . 2 . . . . 41 VAL HG23 . 16678 1 465 . 1 1 41 41 VAL C C 13 178.300 0.023 . 1 . . . . 41 VAL C . 16678 1 466 . 1 1 41 41 VAL CA C 13 66.756 0.085 . 1 . . . . 41 VAL CA . 16678 1 467 . 1 1 41 41 VAL CB C 13 31.229 0.223 . 1 . . . . 41 VAL CB . 16678 1 468 . 1 1 41 41 VAL CG1 C 13 21.593 0.114 . 2 . . . . 41 VAL CG1 . 16678 1 469 . 1 1 41 41 VAL CG2 C 13 23.923 0.051 . 2 . . . . 41 VAL CG2 . 16678 1 470 . 1 1 41 41 VAL N N 15 117.530 0.080 . 1 . . . . 41 VAL N . 16678 1 471 . 1 1 42 42 GLY H H 1 8.567 0.013 . 1 . . . . 42 GLY H . 16678 1 472 . 1 1 42 42 GLY HA2 H 1 3.682 0.014 . 2 . . . . 42 GLY HA2 . 16678 1 473 . 1 1 42 42 GLY HA3 H 1 3.876 0.000 . 2 . . . . 42 GLY HA3 . 16678 1 474 . 1 1 42 42 GLY C C 13 173.915 0.038 . 1 . . . . 42 GLY C . 16678 1 475 . 1 1 42 42 GLY CA C 13 47.601 0.159 . 1 . . . . 42 GLY CA . 16678 1 476 . 1 1 42 42 GLY N N 15 105.884 0.054 . 1 . . . . 42 GLY N . 16678 1 477 . 1 1 43 43 ILE H H 1 8.299 0.017 . 1 . . . . 43 ILE H . 16678 1 478 . 1 1 43 43 ILE HA H 1 3.670 0.020 . 1 . . . . 43 ILE HA . 16678 1 479 . 1 1 43 43 ILE HB H 1 2.053 0.015 . 1 . . . . 43 ILE HB . 16678 1 480 . 1 1 43 43 ILE HD11 H 1 0.855 0.010 . 1 . . . . 43 ILE HD11 . 16678 1 481 . 1 1 43 43 ILE HD12 H 1 0.855 0.010 . 1 . . . . 43 ILE HD12 . 16678 1 482 . 1 1 43 43 ILE HD13 H 1 0.855 0.010 . 1 . . . . 43 ILE HD13 . 16678 1 483 . 1 1 43 43 ILE HG21 H 1 1.002 0.024 . 1 . . . . 43 ILE HG21 . 16678 1 484 . 1 1 43 43 ILE HG22 H 1 1.002 0.024 . 1 . . . . 43 ILE HG22 . 16678 1 485 . 1 1 43 43 ILE HG23 H 1 1.002 0.024 . 1 . . . . 43 ILE HG23 . 16678 1 486 . 1 1 43 43 ILE C C 13 176.163 0.036 . 1 . . . . 43 ILE C . 16678 1 487 . 1 1 43 43 ILE CA C 13 65.973 0.192 . 1 . . . . 43 ILE CA . 16678 1 488 . 1 1 43 43 ILE CB C 13 37.980 0.111 . 1 . . . . 43 ILE CB . 16678 1 489 . 1 1 43 43 ILE CD1 C 13 14.574 0.102 . 1 . . . . 43 ILE CD1 . 16678 1 490 . 1 1 43 43 ILE CG2 C 13 16.759 0.195 . 1 . . . . 43 ILE CG2 . 16678 1 491 . 1 1 43 43 ILE N N 15 119.666 0.081 . 1 . . . . 43 ILE N . 16678 1 492 . 1 1 44 44 SER H H 1 8.004 0.010 . 1 . . . . 44 SER H . 16678 1 493 . 1 1 44 44 SER HA H 1 4.633 0.013 . 1 . . . . 44 SER HA . 16678 1 494 . 1 1 44 44 SER C C 13 177.002 0.000 . 1 . . . . 44 SER C . 16678 1 495 . 1 1 44 44 SER CA C 13 61.356 0.154 . 1 . . . . 44 SER CA . 16678 1 496 . 1 1 44 44 SER CB C 13 63.573 0.013 . 1 . . . . 44 SER CB . 16678 1 497 . 1 1 44 44 SER N N 15 109.077 0.071 . 1 . . . . 44 SER N . 16678 1 498 . 1 1 45 45 GLY H H 1 9.071 0.007 . 1 . . . . 45 GLY H . 16678 1 499 . 1 1 45 45 GLY HA2 H 1 3.800 0.017 . 2 . . . . 45 GLY HA2 . 16678 1 500 . 1 1 45 45 GLY HA3 H 1 4.024 0.027 . 2 . . . . 45 GLY HA3 . 16678 1 501 . 1 1 45 45 GLY C C 13 175.923 0.028 . 1 . . . . 45 GLY C . 16678 1 502 . 1 1 45 45 GLY CA C 13 47.485 0.122 . 1 . . . . 45 GLY CA . 16678 1 503 . 1 1 45 45 GLY N N 15 113.906 0.045 . 1 . . . . 45 GLY N . 16678 1 504 . 1 1 46 46 ILE H H 1 8.229 0.011 . 1 . . . . 46 ILE H . 16678 1 505 . 1 1 46 46 ILE HA H 1 3.632 0.015 . 1 . . . . 46 ILE HA . 16678 1 506 . 1 1 46 46 ILE HB H 1 2.021 0.026 . 1 . . . . 46 ILE HB . 16678 1 507 . 1 1 46 46 ILE HD11 H 1 0.893 0.015 . 1 . . . . 46 ILE HD11 . 16678 1 508 . 1 1 46 46 ILE HD12 H 1 0.893 0.015 . 1 . . . . 46 ILE HD12 . 16678 1 509 . 1 1 46 46 ILE HD13 H 1 0.893 0.015 . 1 . . . . 46 ILE HD13 . 16678 1 510 . 1 1 46 46 ILE HG12 H 1 1.729 0.039 . 2 . . . . 46 ILE HG12 . 16678 1 511 . 1 1 46 46 ILE HG13 H 1 2.059 0.014 . 2 . . . . 46 ILE HG13 . 16678 1 512 . 1 1 46 46 ILE HG21 H 1 0.941 0.010 . 1 . . . . 46 ILE HG21 . 16678 1 513 . 1 1 46 46 ILE HG22 H 1 0.941 0.010 . 1 . . . . 46 ILE HG22 . 16678 1 514 . 1 1 46 46 ILE HG23 H 1 0.941 0.010 . 1 . . . . 46 ILE HG23 . 16678 1 515 . 1 1 46 46 ILE C C 13 177.626 0.019 . 1 . . . . 46 ILE C . 16678 1 516 . 1 1 46 46 ILE CA C 13 65.784 0.133 . 1 . . . . 46 ILE CA . 16678 1 517 . 1 1 46 46 ILE CB C 13 36.491 0.342 . 1 . . . . 46 ILE CB . 16678 1 518 . 1 1 46 46 ILE CD1 C 13 12.780 0.069 . 1 . . . . 46 ILE CD1 . 16678 1 519 . 1 1 46 46 ILE CG1 C 13 30.650 0.170 . 1 . . . . 46 ILE CG1 . 16678 1 520 . 1 1 46 46 ILE CG2 C 13 17.465 0.108 . 1 . . . . 46 ILE CG2 . 16678 1 521 . 1 1 46 46 ILE N N 15 119.868 0.081 . 1 . . . . 46 ILE N . 16678 1 522 . 1 1 47 47 ALA H H 1 6.899 0.010 . 1 . . . . 47 ALA H . 16678 1 523 . 1 1 47 47 ALA HA H 1 4.630 0.013 . 1 . . . . 47 ALA HA . 16678 1 524 . 1 1 47 47 ALA HB1 H 1 1.985 0.011 . 1 . . . . 47 ALA HB1 . 16678 1 525 . 1 1 47 47 ALA HB2 H 1 1.985 0.011 . 1 . . . . 47 ALA HB2 . 16678 1 526 . 1 1 47 47 ALA HB3 H 1 1.985 0.011 . 1 . . . . 47 ALA HB3 . 16678 1 527 . 1 1 47 47 ALA C C 13 180.263 0.010 . 1 . . . . 47 ALA C . 16678 1 528 . 1 1 47 47 ALA CA C 13 55.184 0.156 . 1 . . . . 47 ALA CA . 16678 1 529 . 1 1 47 47 ALA CB C 13 18.717 0.194 . 1 . . . . 47 ALA CB . 16678 1 530 . 1 1 47 47 ALA N N 15 120.157 0.069 . 1 . . . . 47 ALA N . 16678 1 531 . 1 1 48 48 ALA H H 1 8.645 0.016 . 1 . . . . 48 ALA H . 16678 1 532 . 1 1 48 48 ALA HA H 1 4.240 0.015 . 1 . . . . 48 ALA HA . 16678 1 533 . 1 1 48 48 ALA HB1 H 1 1.687 0.021 . 1 . . . . 48 ALA HB1 . 16678 1 534 . 1 1 48 48 ALA HB2 H 1 1.687 0.021 . 1 . . . . 48 ALA HB2 . 16678 1 535 . 1 1 48 48 ALA HB3 H 1 1.687 0.021 . 1 . . . . 48 ALA HB3 . 16678 1 536 . 1 1 48 48 ALA C C 13 179.464 0.012 . 1 . . . . 48 ALA C . 16678 1 537 . 1 1 48 48 ALA CA C 13 56.067 0.040 . 1 . . . . 48 ALA CA . 16678 1 538 . 1 1 48 48 ALA CB C 13 17.568 0.158 . 1 . . . . 48 ALA CB . 16678 1 539 . 1 1 48 48 ALA N N 15 119.316 0.084 . 1 . . . . 48 ALA N . 16678 1 540 . 1 1 49 49 VAL H H 1 7.688 0.013 . 1 . . . . 49 VAL H . 16678 1 541 . 1 1 49 49 VAL HA H 1 3.608 0.013 . 1 . . . . 49 VAL HA . 16678 1 542 . 1 1 49 49 VAL HB H 1 2.432 0.016 . 1 . . . . 49 VAL HB . 16678 1 543 . 1 1 49 49 VAL HG11 H 1 0.987 0.014 . 2 . . . . 49 VAL HG11 . 16678 1 544 . 1 1 49 49 VAL HG12 H 1 0.987 0.014 . 2 . . . . 49 VAL HG12 . 16678 1 545 . 1 1 49 49 VAL HG13 H 1 0.987 0.014 . 2 . . . . 49 VAL HG13 . 16678 1 546 . 1 1 49 49 VAL HG21 H 1 1.206 0.016 . 2 . . . . 49 VAL HG21 . 16678 1 547 . 1 1 49 49 VAL HG22 H 1 1.206 0.016 . 2 . . . . 49 VAL HG22 . 16678 1 548 . 1 1 49 49 VAL HG23 H 1 1.206 0.016 . 2 . . . . 49 VAL HG23 . 16678 1 549 . 1 1 49 49 VAL C C 13 177.270 0.000 . 1 . . . . 49 VAL C . 16678 1 550 . 1 1 49 49 VAL CA C 13 66.757 0.152 . 1 . . . . 49 VAL CA . 16678 1 551 . 1 1 49 49 VAL CB C 13 31.159 0.239 . 1 . . . . 49 VAL CB . 16678 1 552 . 1 1 49 49 VAL CG1 C 13 21.721 0.099 . 2 . . . . 49 VAL CG1 . 16678 1 553 . 1 1 49 49 VAL CG2 C 13 22.806 0.082 . 2 . . . . 49 VAL CG2 . 16678 1 554 . 1 1 49 49 VAL N N 15 114.846 0.050 . 1 . . . . 49 VAL N . 16678 1 555 . 1 1 50 50 ALA H H 1 8.553 0.008 . 1 . . . . 50 ALA H . 16678 1 556 . 1 1 50 50 ALA HA H 1 3.801 0.010 . 1 . . . . 50 ALA HA . 16678 1 557 . 1 1 50 50 ALA HB1 H 1 1.447 0.010 . 1 . . . . 50 ALA HB1 . 16678 1 558 . 1 1 50 50 ALA HB2 H 1 1.447 0.010 . 1 . . . . 50 ALA HB2 . 16678 1 559 . 1 1 50 50 ALA HB3 H 1 1.447 0.010 . 1 . . . . 50 ALA HB3 . 16678 1 560 . 1 1 50 50 ALA C C 13 179.666 0.024 . 1 . . . . 50 ALA C . 16678 1 561 . 1 1 50 50 ALA CA C 13 56.107 0.125 . 1 . . . . 50 ALA CA . 16678 1 562 . 1 1 50 50 ALA CB C 13 18.888 0.238 . 1 . . . . 50 ALA CB . 16678 1 563 . 1 1 50 50 ALA N N 15 121.707 0.063 . 1 . . . . 50 ALA N . 16678 1 564 . 1 1 51 51 TYR H H 1 8.965 0.009 . 1 . . . . 51 TYR H . 16678 1 565 . 1 1 51 51 TYR HA H 1 3.884 0.019 . 1 . . . . 51 TYR HA . 16678 1 566 . 1 1 51 51 TYR HB2 H 1 2.952 0.015 . 2 . . . . 51 TYR HB2 . 16678 1 567 . 1 1 51 51 TYR HB3 H 1 3.487 0.017 . 2 . . . . 51 TYR HB3 . 16678 1 568 . 1 1 51 51 TYR HD1 H 1 7.590 0.019 . 3 . . . . 51 TYR HD1 . 16678 1 569 . 1 1 51 51 TYR HD2 H 1 7.590 0.019 . 3 . . . . 51 TYR HD2 . 16678 1 570 . 1 1 51 51 TYR HE1 H 1 7.149 0.009 . 3 . . . . 51 TYR HE1 . 16678 1 571 . 1 1 51 51 TYR HE2 H 1 7.149 0.009 . 3 . . . . 51 TYR HE2 . 16678 1 572 . 1 1 51 51 TYR C C 13 178.102 0.019 . 1 . . . . 51 TYR C . 16678 1 573 . 1 1 51 51 TYR CA C 13 64.787 0.195 . 1 . . . . 51 TYR CA . 16678 1 574 . 1 1 51 51 TYR CB C 13 36.816 0.183 . 1 . . . . 51 TYR CB . 16678 1 575 . 1 1 51 51 TYR CD1 C 13 132.492 0.091 . 3 . . . . 51 TYR CD1 . 16678 1 576 . 1 1 51 51 TYR CD2 C 13 132.492 0.091 . 3 . . . . 51 TYR CD2 . 16678 1 577 . 1 1 51 51 TYR CE1 C 13 118.122 0.164 . 3 . . . . 51 TYR CE1 . 16678 1 578 . 1 1 51 51 TYR CE2 C 13 118.122 0.164 . 3 . . . . 51 TYR CE2 . 16678 1 579 . 1 1 51 51 TYR N N 15 114.706 0.048 . 1 . . . . 51 TYR N . 16678 1 580 . 1 1 52 52 ALA H H 1 8.318 0.009 . 1 . . . . 52 ALA H . 16678 1 581 . 1 1 52 52 ALA HA H 1 3.607 0.011 . 1 . . . . 52 ALA HA . 16678 1 582 . 1 1 52 52 ALA HB1 H 1 1.602 0.013 . 1 . . . . 52 ALA HB1 . 16678 1 583 . 1 1 52 52 ALA HB2 H 1 1.602 0.013 . 1 . . . . 52 ALA HB2 . 16678 1 584 . 1 1 52 52 ALA HB3 H 1 1.602 0.013 . 1 . . . . 52 ALA HB3 . 16678 1 585 . 1 1 52 52 ALA C C 13 178.624 0.037 . 1 . . . . 52 ALA C . 16678 1 586 . 1 1 52 52 ALA CA C 13 54.905 0.135 . 1 . . . . 52 ALA CA . 16678 1 587 . 1 1 52 52 ALA CB C 13 17.900 0.219 . 1 . . . . 52 ALA CB . 16678 1 588 . 1 1 52 52 ALA N N 15 120.849 0.055 . 1 . . . . 52 ALA N . 16678 1 589 . 1 1 53 53 VAL H H 1 8.420 0.011 . 1 . . . . 53 VAL H . 16678 1 590 . 1 1 53 53 VAL HA H 1 3.677 0.021 . 1 . . . . 53 VAL HA . 16678 1 591 . 1 1 53 53 VAL HB H 1 2.306 0.011 . 1 . . . . 53 VAL HB . 16678 1 592 . 1 1 53 53 VAL HG11 H 1 0.988 0.013 . 2 . . . . 53 VAL HG11 . 16678 1 593 . 1 1 53 53 VAL HG12 H 1 0.988 0.013 . 2 . . . . 53 VAL HG12 . 16678 1 594 . 1 1 53 53 VAL HG13 H 1 0.988 0.013 . 2 . . . . 53 VAL HG13 . 16678 1 595 . 1 1 53 53 VAL HG21 H 1 1.130 0.016 . 2 . . . . 53 VAL HG21 . 16678 1 596 . 1 1 53 53 VAL HG22 H 1 1.130 0.016 . 2 . . . . 53 VAL HG22 . 16678 1 597 . 1 1 53 53 VAL HG23 H 1 1.130 0.016 . 2 . . . . 53 VAL HG23 . 16678 1 598 . 1 1 53 53 VAL C C 13 178.694 0.000 . 1 . . . . 53 VAL C . 16678 1 599 . 1 1 53 53 VAL CA C 13 66.619 0.174 . 1 . . . . 53 VAL CA . 16678 1 600 . 1 1 53 53 VAL CB C 13 30.907 0.424 . 1 . . . . 53 VAL CB . 16678 1 601 . 1 1 53 53 VAL CG1 C 13 22.461 0.214 . 2 . . . . 53 VAL CG1 . 16678 1 602 . 1 1 53 53 VAL CG2 C 13 22.808 0.130 . 2 . . . . 53 VAL CG2 . 16678 1 603 . 1 1 53 53 VAL N N 15 112.833 0.043 . 1 . . . . 53 VAL N . 16678 1 604 . 1 1 54 54 MET H H 1 7.682 0.010 . 1 . . . . 54 MET H . 16678 1 605 . 1 1 54 54 MET HA H 1 4.386 0.015 . 1 . . . . 54 MET HA . 16678 1 606 . 1 1 54 54 MET HE1 H 1 1.271 0.007 . 1 . . . . 54 MET HE1 . 16678 1 607 . 1 1 54 54 MET HE2 H 1 1.271 0.007 . 1 . . . . 54 MET HE2 . 16678 1 608 . 1 1 54 54 MET HE3 H 1 1.271 0.007 . 1 . . . . 54 MET HE3 . 16678 1 609 . 1 1 54 54 MET C C 13 180.603 0.030 . 1 . . . . 54 MET C . 16678 1 610 . 1 1 54 54 MET CA C 13 60.502 0.137 . 1 . . . . 54 MET CA . 16678 1 611 . 1 1 54 54 MET CB C 13 29.973 0.053 . 1 . . . . 54 MET CB . 16678 1 612 . 1 1 54 54 MET CE C 13 15.343 0.093 . 1 . . . . 54 MET CE . 16678 1 613 . 1 1 54 54 MET N N 15 118.032 0.040 . 1 . . . . 54 MET N . 16678 1 614 . 1 1 55 55 ALA H H 1 8.433 0.013 . 1 . . . . 55 ALA H . 16678 1 615 . 1 1 55 55 ALA HA H 1 4.082 0.010 . 1 . . . . 55 ALA HA . 16678 1 616 . 1 1 55 55 ALA HB1 H 1 0.198 0.016 . 1 . . . . 55 ALA HB1 . 16678 1 617 . 1 1 55 55 ALA HB2 H 1 0.198 0.016 . 1 . . . . 55 ALA HB2 . 16678 1 618 . 1 1 55 55 ALA HB3 H 1 0.198 0.016 . 1 . . . . 55 ALA HB3 . 16678 1 619 . 1 1 55 55 ALA C C 13 178.577 0.008 . 1 . . . . 55 ALA C . 16678 1 620 . 1 1 55 55 ALA CA C 13 55.314 0.104 . 1 . . . . 55 ALA CA . 16678 1 621 . 1 1 55 55 ALA CB C 13 14.925 0.141 . 1 . . . . 55 ALA CB . 16678 1 622 . 1 1 55 55 ALA N N 15 123.882 0.067 . 1 . . . . 55 ALA N . 16678 1 623 . 1 1 56 56 LEU H H 1 7.419 0.009 . 1 . . . . 56 LEU H . 16678 1 624 . 1 1 56 56 LEU HA H 1 4.397 0.014 . 1 . . . . 56 LEU HA . 16678 1 625 . 1 1 56 56 LEU HB2 H 1 1.848 0.018 . 2 . . . . 56 LEU HB2 . 16678 1 626 . 1 1 56 56 LEU HB3 H 1 2.071 0.017 . 2 . . . . 56 LEU HB3 . 16678 1 627 . 1 1 56 56 LEU HD11 H 1 1.059 0.021 . 2 . . . . 56 LEU HD11 . 16678 1 628 . 1 1 56 56 LEU HD12 H 1 1.059 0.021 . 2 . . . . 56 LEU HD12 . 16678 1 629 . 1 1 56 56 LEU HD13 H 1 1.059 0.021 . 2 . . . . 56 LEU HD13 . 16678 1 630 . 1 1 56 56 LEU HD21 H 1 1.295 0.007 . 2 . . . . 56 LEU HD21 . 16678 1 631 . 1 1 56 56 LEU HD22 H 1 1.295 0.007 . 2 . . . . 56 LEU HD22 . 16678 1 632 . 1 1 56 56 LEU HD23 H 1 1.295 0.007 . 2 . . . . 56 LEU HD23 . 16678 1 633 . 1 1 56 56 LEU HG H 1 2.160 0.015 . 1 . . . . 56 LEU HG . 16678 1 634 . 1 1 56 56 LEU C C 13 177.381 0.050 . 1 . . . . 56 LEU C . 16678 1 635 . 1 1 56 56 LEU CA C 13 54.774 0.154 . 1 . . . . 56 LEU CA . 16678 1 636 . 1 1 56 56 LEU CB C 13 41.826 0.352 . 1 . . . . 56 LEU CB . 16678 1 637 . 1 1 56 56 LEU CD1 C 13 25.772 0.115 . 2 . . . . 56 LEU CD1 . 16678 1 638 . 1 1 56 56 LEU CD2 C 13 23.334 0.108 . 2 . . . . 56 LEU CD2 . 16678 1 639 . 1 1 56 56 LEU CG C 13 26.321 0.044 . 1 . . . . 56 LEU CG . 16678 1 640 . 1 1 56 56 LEU N N 15 115.114 0.062 . 1 . . . . 56 LEU N . 16678 1 641 . 1 1 57 57 GLY H H 1 8.179 0.009 . 1 . . . . 57 GLY H . 16678 1 642 . 1 1 57 57 GLY HA2 H 1 3.767 0.007 . 1 . . . . 57 GLY HA2 . 16678 1 643 . 1 1 57 57 GLY HA3 H 1 3.767 0.007 . 1 . . . . 57 GLY HA3 . 16678 1 644 . 1 1 57 57 GLY C C 13 174.034 0.000 . 1 . . . . 57 GLY C . 16678 1 645 . 1 1 57 57 GLY CA C 13 44.324 0.082 . 1 . . . . 57 GLY CA . 16678 1 646 . 1 1 57 57 GLY N N 15 106.317 0.091 . 1 . . . . 57 GLY N . 16678 1 647 . 1 1 58 58 VAL H H 1 7.780 0.019 . 1 . . . . 58 VAL H . 16678 1 648 . 1 1 58 58 VAL HA H 1 3.990 0.011 . 1 . . . . 58 VAL HA . 16678 1 649 . 1 1 58 58 VAL HB H 1 2.061 0.008 . 1 . . . . 58 VAL HB . 16678 1 650 . 1 1 58 58 VAL HG11 H 1 0.915 0.024 . 2 . . . . 58 VAL HG11 . 16678 1 651 . 1 1 58 58 VAL HG12 H 1 0.915 0.024 . 2 . . . . 58 VAL HG12 . 16678 1 652 . 1 1 58 58 VAL HG13 H 1 0.915 0.024 . 2 . . . . 58 VAL HG13 . 16678 1 653 . 1 1 58 58 VAL HG21 H 1 0.949 0.019 . 2 . . . . 58 VAL HG21 . 16678 1 654 . 1 1 58 58 VAL HG22 H 1 0.949 0.019 . 2 . . . . 58 VAL HG22 . 16678 1 655 . 1 1 58 58 VAL HG23 H 1 0.949 0.019 . 2 . . . . 58 VAL HG23 . 16678 1 656 . 1 1 58 58 VAL C C 13 175.724 0.032 . 1 . . . . 58 VAL C . 16678 1 657 . 1 1 58 58 VAL CA C 13 62.338 0.086 . 1 . . . . 58 VAL CA . 16678 1 658 . 1 1 58 58 VAL CB C 13 31.471 0.217 . 1 . . . . 58 VAL CB . 16678 1 659 . 1 1 58 58 VAL CG1 C 13 21.186 0.197 . 2 . . . . 58 VAL CG1 . 16678 1 660 . 1 1 58 58 VAL CG2 C 13 21.564 0.061 . 2 . . . . 58 VAL CG2 . 16678 1 661 . 1 1 58 58 VAL N N 15 121.958 0.117 . 1 . . . . 58 VAL N . 16678 1 662 . 1 1 59 59 GLY H H 1 8.927 0.007 . 1 . . . . 59 GLY H . 16678 1 663 . 1 1 59 59 GLY HA2 H 1 3.697 0.021 . 1 . . . . 59 GLY HA2 . 16678 1 664 . 1 1 59 59 GLY HA3 H 1 3.697 0.021 . 1 . . . . 59 GLY HA3 . 16678 1 665 . 1 1 59 59 GLY C C 13 173.840 0.028 . 1 . . . . 59 GLY C . 16678 1 666 . 1 1 59 59 GLY CA C 13 45.898 0.021 . 1 . . . . 59 GLY CA . 16678 1 667 . 1 1 59 59 GLY N N 15 111.260 0.069 . 1 . . . . 59 GLY N . 16678 1 668 . 1 1 60 60 TRP H H 1 8.516 0.012 . 1 . . . . 60 TRP H . 16678 1 669 . 1 1 60 60 TRP HA H 1 5.173 0.019 . 1 . . . . 60 TRP HA . 16678 1 670 . 1 1 60 60 TRP HB2 H 1 3.043 0.009 . 2 . . . . 60 TRP HB2 . 16678 1 671 . 1 1 60 60 TRP HB3 H 1 3.656 0.017 . 2 . . . . 60 TRP HB3 . 16678 1 672 . 1 1 60 60 TRP HD1 H 1 7.150 0.009 . 1 . . . . 60 TRP HD1 . 16678 1 673 . 1 1 60 60 TRP HE1 H 1 10.285 0.009 . 1 . . . . 60 TRP HE1 . 16678 1 674 . 1 1 60 60 TRP HE3 H 1 7.860 0.005 . 1 . . . . 60 TRP HE3 . 16678 1 675 . 1 1 60 60 TRP HH2 H 1 7.531 0.017 . 1 . . . . 60 TRP HH2 . 16678 1 676 . 1 1 60 60 TRP HZ2 H 1 7.738 0.010 . 1 . . . . 60 TRP HZ2 . 16678 1 677 . 1 1 60 60 TRP HZ3 H 1 7.496 0.023 . 1 . . . . 60 TRP HZ3 . 16678 1 678 . 1 1 60 60 TRP C C 13 176.051 0.051 . 1 . . . . 60 TRP C . 16678 1 679 . 1 1 60 60 TRP CA C 13 54.906 0.058 . 1 . . . . 60 TRP CA . 16678 1 680 . 1 1 60 60 TRP CB C 13 26.951 0.095 . 1 . . . . 60 TRP CB . 16678 1 681 . 1 1 60 60 TRP CD1 C 13 123.002 0.065 . 1 . . . . 60 TRP CD1 . 16678 1 682 . 1 1 60 60 TRP CE3 C 13 120.939 0.032 . 1 . . . . 60 TRP CE3 . 16678 1 683 . 1 1 60 60 TRP CH2 C 13 125.070 0.085 . 1 . . . . 60 TRP CH2 . 16678 1 684 . 1 1 60 60 TRP CZ2 C 13 113.696 0.113 . 1 . . . . 60 TRP CZ2 . 16678 1 685 . 1 1 60 60 TRP CZ3 C 13 122.023 0.060 . 1 . . . . 60 TRP CZ3 . 16678 1 686 . 1 1 60 60 TRP N N 15 121.898 0.050 . 1 . . . . 60 TRP N . 16678 1 687 . 1 1 60 60 TRP NE1 N 15 126.794 0.063 . 1 . . . . 60 TRP NE1 . 16678 1 688 . 1 1 61 61 VAL H H 1 9.171 0.012 . 1 . . . . 61 VAL H . 16678 1 689 . 1 1 61 61 VAL HA H 1 4.778 0.012 . 1 . . . . 61 VAL HA . 16678 1 690 . 1 1 61 61 VAL HB H 1 2.201 0.003 . 1 . . . . 61 VAL HB . 16678 1 691 . 1 1 61 61 VAL HG11 H 1 1.039 0.021 . 2 . . . . 61 VAL HG11 . 16678 1 692 . 1 1 61 61 VAL HG12 H 1 1.039 0.021 . 2 . . . . 61 VAL HG12 . 16678 1 693 . 1 1 61 61 VAL HG13 H 1 1.039 0.021 . 2 . . . . 61 VAL HG13 . 16678 1 694 . 1 1 61 61 VAL HG21 H 1 1.101 0.018 . 2 . . . . 61 VAL HG21 . 16678 1 695 . 1 1 61 61 VAL HG22 H 1 1.101 0.018 . 2 . . . . 61 VAL HG22 . 16678 1 696 . 1 1 61 61 VAL HG23 H 1 1.101 0.018 . 2 . . . . 61 VAL HG23 . 16678 1 697 . 1 1 61 61 VAL C C 13 173.658 0.000 . 1 . . . . 61 VAL C . 16678 1 698 . 1 1 61 61 VAL CA C 13 59.797 0.019 . 1 . . . . 61 VAL CA . 16678 1 699 . 1 1 61 61 VAL CB C 13 34.497 0.288 . 1 . . . . 61 VAL CB . 16678 1 700 . 1 1 61 61 VAL CG1 C 13 20.850 0.222 . 2 . . . . 61 VAL CG1 . 16678 1 701 . 1 1 61 61 VAL CG2 C 13 22.072 0.073 . 2 . . . . 61 VAL CG2 . 16678 1 702 . 1 1 61 61 VAL N N 15 126.023 0.044 . 1 . . . . 61 VAL N . 16678 1 703 . 1 1 62 62 PRO HA H 1 5.127 0.010 . 1 . . . . 62 PRO HA . 16678 1 704 . 1 1 62 62 PRO HB2 H 1 2.139 0.016 . 2 . . . . 62 PRO HB2 . 16678 1 705 . 1 1 62 62 PRO HB3 H 1 2.363 0.014 . 2 . . . . 62 PRO HB3 . 16678 1 706 . 1 1 62 62 PRO C C 13 177.126 0.000 . 1 . . . . 62 PRO C . 16678 1 707 . 1 1 62 62 PRO CA C 13 62.159 0.102 . 1 . . . . 62 PRO CA . 16678 1 708 . 1 1 62 62 PRO CB C 13 31.313 0.110 . 1 . . . . 62 PRO CB . 16678 1 709 . 1 1 63 63 VAL H H 1 8.635 0.015 . 1 . . . . 63 VAL H . 16678 1 710 . 1 1 63 63 VAL HA H 1 4.069 0.020 . 1 . . . . 63 VAL HA . 16678 1 711 . 1 1 63 63 VAL HB H 1 1.883 0.017 . 1 . . . . 63 VAL HB . 16678 1 712 . 1 1 63 63 VAL HG11 H 1 0.827 0.011 . 2 . . . . 63 VAL HG11 . 16678 1 713 . 1 1 63 63 VAL HG12 H 1 0.827 0.011 . 2 . . . . 63 VAL HG12 . 16678 1 714 . 1 1 63 63 VAL HG13 H 1 0.827 0.011 . 2 . . . . 63 VAL HG13 . 16678 1 715 . 1 1 63 63 VAL HG21 H 1 1.033 0.012 . 2 . . . . 63 VAL HG21 . 16678 1 716 . 1 1 63 63 VAL HG22 H 1 1.033 0.012 . 2 . . . . 63 VAL HG22 . 16678 1 717 . 1 1 63 63 VAL HG23 H 1 1.033 0.012 . 2 . . . . 63 VAL HG23 . 16678 1 718 . 1 1 63 63 VAL C C 13 174.817 0.020 . 1 . . . . 63 VAL C . 16678 1 719 . 1 1 63 63 VAL CA C 13 62.123 0.089 . 1 . . . . 63 VAL CA . 16678 1 720 . 1 1 63 63 VAL CB C 13 34.389 0.083 . 1 . . . . 63 VAL CB . 16678 1 721 . 1 1 63 63 VAL CG1 C 13 20.504 0.067 . 2 . . . . 63 VAL CG1 . 16678 1 722 . 1 1 63 63 VAL CG2 C 13 21.318 0.096 . 2 . . . . 63 VAL CG2 . 16678 1 723 . 1 1 63 63 VAL N N 15 125.521 0.070 . 1 . . . . 63 VAL N . 16678 1 724 . 1 1 64 64 ALA H H 1 8.917 0.013 . 1 . . . . 64 ALA H . 16678 1 725 . 1 1 64 64 ALA HA H 1 4.024 0.022 . 1 . . . . 64 ALA HA . 16678 1 726 . 1 1 64 64 ALA HB1 H 1 1.649 0.011 . 1 . . . . 64 ALA HB1 . 16678 1 727 . 1 1 64 64 ALA HB2 H 1 1.649 0.011 . 1 . . . . 64 ALA HB2 . 16678 1 728 . 1 1 64 64 ALA HB3 H 1 1.649 0.011 . 1 . . . . 64 ALA HB3 . 16678 1 729 . 1 1 64 64 ALA C C 13 177.236 0.012 . 1 . . . . 64 ALA C . 16678 1 730 . 1 1 64 64 ALA CA C 13 54.191 0.160 . 1 . . . . 64 ALA CA . 16678 1 731 . 1 1 64 64 ALA CB C 13 17.261 0.201 . 1 . . . . 64 ALA CB . 16678 1 732 . 1 1 64 64 ALA N N 15 127.584 0.040 . 1 . . . . 64 ALA N . 16678 1 733 . 1 1 65 65 GLU H H 1 8.596 0.013 . 1 . . . . 65 GLU H . 16678 1 734 . 1 1 65 65 GLU HA H 1 4.554 0.001 . 1 . . . . 65 GLU HA . 16678 1 735 . 1 1 65 65 GLU HB2 H 1 2.417 0.022 . 1 . . . . 65 GLU HB2 . 16678 1 736 . 1 1 65 65 GLU HB3 H 1 2.417 0.022 . 1 . . . . 65 GLU HB3 . 16678 1 737 . 1 1 65 65 GLU HG2 H 1 2.216 0.008 . 1 . . . . 65 GLU HG2 . 16678 1 738 . 1 1 65 65 GLU HG3 H 1 2.216 0.008 . 1 . . . . 65 GLU HG3 . 16678 1 739 . 1 1 65 65 GLU C C 13 176.034 0.004 . 1 . . . . 65 GLU C . 16678 1 740 . 1 1 65 65 GLU CA C 13 56.960 0.151 . 1 . . . . 65 GLU CA . 16678 1 741 . 1 1 65 65 GLU CB C 13 28.188 0.054 . 1 . . . . 65 GLU CB . 16678 1 742 . 1 1 65 65 GLU N N 15 119.516 0.081 . 1 . . . . 65 GLU N . 16678 1 743 . 1 1 66 66 ARG H H 1 8.690 0.015 . 1 . . . . 66 ARG H . 16678 1 744 . 1 1 66 66 ARG HA H 1 4.971 0.011 . 1 . . . . 66 ARG HA . 16678 1 745 . 1 1 66 66 ARG HD2 H 1 3.161 0.023 . 2 . . . . 66 ARG HD2 . 16678 1 746 . 1 1 66 66 ARG HD3 H 1 3.195 0.025 . 2 . . . . 66 ARG HD3 . 16678 1 747 . 1 1 66 66 ARG C C 13 175.175 0.028 . 1 . . . . 66 ARG C . 16678 1 748 . 1 1 66 66 ARG CA C 13 54.372 0.005 . 1 . . . . 66 ARG CA . 16678 1 749 . 1 1 66 66 ARG CB C 13 31.892 0.016 . 1 . . . . 66 ARG CB . 16678 1 750 . 1 1 66 66 ARG N N 15 120.574 0.070 . 1 . . . . 66 ARG N . 16678 1 751 . 1 1 67 67 THR H H 1 8.126 0.008 . 1 . . . . 67 THR H . 16678 1 752 . 1 1 67 67 THR HA H 1 4.528 0.017 . 1 . . . . 67 THR HA . 16678 1 753 . 1 1 67 67 THR HB H 1 3.563 0.010 . 1 . . . . 67 THR HB . 16678 1 754 . 1 1 67 67 THR HG21 H 1 0.609 0.013 . 1 . . . . 67 THR HG21 . 16678 1 755 . 1 1 67 67 THR HG22 H 1 0.609 0.013 . 1 . . . . 67 THR HG22 . 16678 1 756 . 1 1 67 67 THR HG23 H 1 0.609 0.013 . 1 . . . . 67 THR HG23 . 16678 1 757 . 1 1 67 67 THR C C 13 173.399 0.039 . 1 . . . . 67 THR C . 16678 1 758 . 1 1 67 67 THR CA C 13 62.502 0.139 . 1 . . . . 67 THR CA . 16678 1 759 . 1 1 67 67 THR CB C 13 69.772 0.173 . 1 . . . . 67 THR CB . 16678 1 760 . 1 1 67 67 THR CG2 C 13 21.746 0.123 . 1 . . . . 67 THR CG2 . 16678 1 761 . 1 1 67 67 THR N N 15 117.397 0.061 . 1 . . . . 67 THR N . 16678 1 762 . 1 1 68 68 VAL H H 1 9.302 0.011 . 1 . . . . 68 VAL H . 16678 1 763 . 1 1 68 68 VAL HA H 1 4.051 0.016 . 1 . . . . 68 VAL HA . 16678 1 764 . 1 1 68 68 VAL HB H 1 2.177 0.019 . 1 . . . . 68 VAL HB . 16678 1 765 . 1 1 68 68 VAL HG11 H 1 1.040 0.022 . 2 . . . . 68 VAL HG11 . 16678 1 766 . 1 1 68 68 VAL HG12 H 1 1.040 0.022 . 2 . . . . 68 VAL HG12 . 16678 1 767 . 1 1 68 68 VAL HG13 H 1 1.040 0.022 . 2 . . . . 68 VAL HG13 . 16678 1 768 . 1 1 68 68 VAL HG21 H 1 1.016 0.023 . 2 . . . . 68 VAL HG21 . 16678 1 769 . 1 1 68 68 VAL HG22 H 1 1.016 0.023 . 2 . . . . 68 VAL HG22 . 16678 1 770 . 1 1 68 68 VAL HG23 H 1 1.016 0.023 . 2 . . . . 68 VAL HG23 . 16678 1 771 . 1 1 68 68 VAL C C 13 174.589 0.001 . 1 . . . . 68 VAL C . 16678 1 772 . 1 1 68 68 VAL CA C 13 60.878 0.127 . 1 . . . . 68 VAL CA . 16678 1 773 . 1 1 68 68 VAL CB C 13 32.737 0.121 . 1 . . . . 68 VAL CB . 16678 1 774 . 1 1 68 68 VAL CG1 C 13 21.339 0.075 . 2 . . . . 68 VAL CG1 . 16678 1 775 . 1 1 68 68 VAL CG2 C 13 21.758 0.164 . 2 . . . . 68 VAL CG2 . 16678 1 776 . 1 1 68 68 VAL N N 15 127.632 0.057 . 1 . . . . 68 VAL N . 16678 1 777 . 1 1 69 69 PHE H H 1 8.125 0.010 . 1 . . . . 69 PHE H . 16678 1 778 . 1 1 69 69 PHE HA H 1 5.102 0.021 . 1 . . . . 69 PHE HA . 16678 1 779 . 1 1 69 69 PHE HB2 H 1 2.767 0.012 . 2 . . . . 69 PHE HB2 . 16678 1 780 . 1 1 69 69 PHE HB3 H 1 3.215 0.014 . 2 . . . . 69 PHE HB3 . 16678 1 781 . 1 1 69 69 PHE HD1 H 1 6.727 0.015 . 3 . . . . 69 PHE HD1 . 16678 1 782 . 1 1 69 69 PHE HD2 H 1 6.727 0.015 . 3 . . . . 69 PHE HD2 . 16678 1 783 . 1 1 69 69 PHE HE1 H 1 6.330 0.010 . 3 . . . . 69 PHE HE1 . 16678 1 784 . 1 1 69 69 PHE HE2 H 1 6.330 0.010 . 3 . . . . 69 PHE HE2 . 16678 1 785 . 1 1 69 69 PHE HZ H 1 6.687 0.014 . 1 . . . . 69 PHE HZ . 16678 1 786 . 1 1 69 69 PHE C C 13 175.117 0.034 . 1 . . . . 69 PHE C . 16678 1 787 . 1 1 69 69 PHE CA C 13 55.418 0.180 . 1 . . . . 69 PHE CA . 16678 1 788 . 1 1 69 69 PHE CB C 13 38.208 0.196 . 1 . . . . 69 PHE CB . 16678 1 789 . 1 1 69 69 PHE CD1 C 13 131.132 0.185 . 3 . . . . 69 PHE CD1 . 16678 1 790 . 1 1 69 69 PHE CD2 C 13 131.132 0.185 . 3 . . . . 69 PHE CD2 . 16678 1 791 . 1 1 69 69 PHE CE1 C 13 130.726 0.066 . 3 . . . . 69 PHE CE1 . 16678 1 792 . 1 1 69 69 PHE CE2 C 13 130.726 0.066 . 3 . . . . 69 PHE CE2 . 16678 1 793 . 1 1 69 69 PHE CZ C 13 128.371 0.022 . 1 . . . . 69 PHE CZ . 16678 1 794 . 1 1 69 69 PHE N N 15 126.002 0.096 . 1 . . . . 69 PHE N . 16678 1 795 . 1 1 70 70 VAL H H 1 8.759 0.011 . 1 . . . . 70 VAL H . 16678 1 796 . 1 1 70 70 VAL HA H 1 3.950 0.016 . 1 . . . . 70 VAL HA . 16678 1 797 . 1 1 70 70 VAL HB H 1 2.548 0.021 . 1 . . . . 70 VAL HB . 16678 1 798 . 1 1 70 70 VAL HG11 H 1 1.161 0.023 . 2 . . . . 70 VAL HG11 . 16678 1 799 . 1 1 70 70 VAL HG12 H 1 1.161 0.023 . 2 . . . . 70 VAL HG12 . 16678 1 800 . 1 1 70 70 VAL HG13 H 1 1.161 0.023 . 2 . . . . 70 VAL HG13 . 16678 1 801 . 1 1 70 70 VAL HG21 H 1 1.411 0.015 . 2 . . . . 70 VAL HG21 . 16678 1 802 . 1 1 70 70 VAL HG22 H 1 1.411 0.015 . 2 . . . . 70 VAL HG22 . 16678 1 803 . 1 1 70 70 VAL HG23 H 1 1.411 0.015 . 2 . . . . 70 VAL HG23 . 16678 1 804 . 1 1 70 70 VAL CA C 13 68.504 0.101 . 1 . . . . 70 VAL CA . 16678 1 805 . 1 1 70 70 VAL CB C 13 30.260 0.371 . 1 . . . . 70 VAL CB . 16678 1 806 . 1 1 70 70 VAL CG1 C 13 21.791 0.126 . 2 . . . . 70 VAL CG1 . 16678 1 807 . 1 1 70 70 VAL CG2 C 13 24.294 0.105 . 2 . . . . 70 VAL CG2 . 16678 1 808 . 1 1 70 70 VAL N N 15 122.936 0.049 . 1 . . . . 70 VAL N . 16678 1 809 . 1 1 71 71 PRO C C 13 174.873 0.000 . 1 . . . . 71 PRO C . 16678 1 810 . 1 1 71 71 PRO CA C 13 65.883 0.000 . 1 . . . . 71 PRO CA . 16678 1 811 . 1 1 72 72 ARG H H 1 6.547 0.008 . 1 . . . . 72 ARG H . 16678 1 812 . 1 1 72 72 ARG HA H 1 3.773 0.013 . 1 . . . . 72 ARG HA . 16678 1 813 . 1 1 72 72 ARG HG2 H 1 1.810 0.023 . 1 . . . . 72 ARG HG2 . 16678 1 814 . 1 1 72 72 ARG HG3 H 1 1.810 0.023 . 1 . . . . 72 ARG HG3 . 16678 1 815 . 1 1 72 72 ARG C C 13 174.792 0.000 . 1 . . . . 72 ARG C . 16678 1 816 . 1 1 72 72 ARG CA C 13 57.371 0.092 . 1 . . . . 72 ARG CA . 16678 1 817 . 1 1 72 72 ARG CB C 13 29.420 0.057 . 1 . . . . 72 ARG CB . 16678 1 818 . 1 1 72 72 ARG N N 15 115.901 0.054 . 1 . . . . 72 ARG N . 16678 1 819 . 1 1 73 73 TYR H H 1 6.364 0.009 . 1 . . . . 73 TYR H . 16678 1 820 . 1 1 73 73 TYR HA H 1 3.963 0.013 . 1 . . . . 73 TYR HA . 16678 1 821 . 1 1 73 73 TYR HB2 H 1 2.480 0.022 . 2 . . . . 73 TYR HB2 . 16678 1 822 . 1 1 73 73 TYR HB3 H 1 3.535 0.016 . 2 . . . . 73 TYR HB3 . 16678 1 823 . 1 1 73 73 TYR HD1 H 1 7.057 0.016 . 3 . . . . 73 TYR HD1 . 16678 1 824 . 1 1 73 73 TYR HD2 H 1 7.057 0.016 . 3 . . . . 73 TYR HD2 . 16678 1 825 . 1 1 73 73 TYR HE1 H 1 6.825 0.008 . 3 . . . . 73 TYR HE1 . 16678 1 826 . 1 1 73 73 TYR HE2 H 1 6.825 0.008 . 3 . . . . 73 TYR HE2 . 16678 1 827 . 1 1 73 73 TYR C C 13 177.663 0.000 . 1 . . . . 73 TYR C . 16678 1 828 . 1 1 73 73 TYR CA C 13 60.680 0.077 . 1 . . . . 73 TYR CA . 16678 1 829 . 1 1 73 73 TYR CB C 13 37.493 0.301 . 1 . . . . 73 TYR CB . 16678 1 830 . 1 1 73 73 TYR CD1 C 13 132.612 0.054 . 3 . . . . 73 TYR CD1 . 16678 1 831 . 1 1 73 73 TYR CD2 C 13 132.612 0.054 . 3 . . . . 73 TYR CD2 . 16678 1 832 . 1 1 73 73 TYR CE1 C 13 117.762 0.028 . 3 . . . . 73 TYR CE1 . 16678 1 833 . 1 1 73 73 TYR CE2 C 13 117.762 0.028 . 3 . . . . 73 TYR CE2 . 16678 1 834 . 1 1 73 73 TYR N N 15 111.964 0.050 . 1 . . . . 73 TYR N . 16678 1 835 . 1 1 74 74 ILE H H 1 7.204 0.018 . 1 . . . . 74 ILE H . 16678 1 836 . 1 1 74 74 ILE HA H 1 3.517 0.011 . 1 . . . . 74 ILE HA . 16678 1 837 . 1 1 74 74 ILE HB H 1 1.819 0.014 . 1 . . . . 74 ILE HB . 16678 1 838 . 1 1 74 74 ILE HD11 H 1 0.704 0.006 . 1 . . . . 74 ILE HD11 . 16678 1 839 . 1 1 74 74 ILE HD12 H 1 0.704 0.006 . 1 . . . . 74 ILE HD12 . 16678 1 840 . 1 1 74 74 ILE HD13 H 1 0.704 0.006 . 1 . . . . 74 ILE HD13 . 16678 1 841 . 1 1 74 74 ILE HG12 H 1 1.208 0.021 . 2 . . . . 74 ILE HG12 . 16678 1 842 . 1 1 74 74 ILE HG13 H 1 1.434 0.012 . 2 . . . . 74 ILE HG13 . 16678 1 843 . 1 1 74 74 ILE HG21 H 1 0.875 0.010 . 1 . . . . 74 ILE HG21 . 16678 1 844 . 1 1 74 74 ILE HG22 H 1 0.875 0.010 . 1 . . . . 74 ILE HG22 . 16678 1 845 . 1 1 74 74 ILE HG23 H 1 0.875 0.010 . 1 . . . . 74 ILE HG23 . 16678 1 846 . 1 1 74 74 ILE C C 13 175.979 0.027 . 1 . . . . 74 ILE C . 16678 1 847 . 1 1 74 74 ILE CA C 13 64.130 0.125 . 1 . . . . 74 ILE CA . 16678 1 848 . 1 1 74 74 ILE CB C 13 36.017 0.310 . 1 . . . . 74 ILE CB . 16678 1 849 . 1 1 74 74 ILE CD1 C 13 11.421 0.056 . 1 . . . . 74 ILE CD1 . 16678 1 850 . 1 1 74 74 ILE CG1 C 13 27.868 0.211 . 1 . . . . 74 ILE CG1 . 16678 1 851 . 1 1 74 74 ILE CG2 C 13 17.281 0.100 . 1 . . . . 74 ILE CG2 . 16678 1 852 . 1 1 74 74 ILE N N 15 117.135 0.066 . 1 . . . . 74 ILE N . 16678 1 853 . 1 1 75 75 ASP H H 1 7.750 0.013 . 1 . . . . 75 ASP H . 16678 1 854 . 1 1 75 75 ASP HA H 1 3.961 0.016 . 1 . . . . 75 ASP HA . 16678 1 855 . 1 1 75 75 ASP HB2 H 1 2.494 0.011 . 2 . . . . 75 ASP HB2 . 16678 1 856 . 1 1 75 75 ASP HB3 H 1 3.209 0.018 . 2 . . . . 75 ASP HB3 . 16678 1 857 . 1 1 75 75 ASP C C 13 177.988 0.024 . 1 . . . . 75 ASP C . 16678 1 858 . 1 1 75 75 ASP CA C 13 57.073 0.043 . 1 . . . . 75 ASP CA . 16678 1 859 . 1 1 75 75 ASP CB C 13 39.700 0.286 . 1 . . . . 75 ASP CB . 16678 1 860 . 1 1 75 75 ASP N N 15 116.691 0.070 . 1 . . . . 75 ASP N . 16678 1 861 . 1 1 76 76 TRP H H 1 8.130 0.013 . 1 . . . . 76 TRP H . 16678 1 862 . 1 1 76 76 TRP HA H 1 4.407 0.020 . 1 . . . . 76 TRP HA . 16678 1 863 . 1 1 76 76 TRP HD1 H 1 7.059 0.017 . 1 . . . . 76 TRP HD1 . 16678 1 864 . 1 1 76 76 TRP HE1 H 1 9.802 0.005 . 1 . . . . 76 TRP HE1 . 16678 1 865 . 1 1 76 76 TRP HH2 H 1 7.418 0.015 . 1 . . . . 76 TRP HH2 . 16678 1 866 . 1 1 76 76 TRP HZ2 H 1 7.777 0.004 . 1 . . . . 76 TRP HZ2 . 16678 1 867 . 1 1 76 76 TRP C C 13 180.725 0.012 . 1 . . . . 76 TRP C . 16678 1 868 . 1 1 76 76 TRP CA C 13 58.568 0.126 . 1 . . . . 76 TRP CA . 16678 1 869 . 1 1 76 76 TRP CB C 13 28.622 0.028 . 1 . . . . 76 TRP CB . 16678 1 870 . 1 1 76 76 TRP CH2 C 13 122.600 0.061 . 1 . . . . 76 TRP CH2 . 16678 1 871 . 1 1 76 76 TRP CZ2 C 13 114.574 0.071 . 1 . . . . 76 TRP CZ2 . 16678 1 872 . 1 1 76 76 TRP N N 15 114.647 0.072 . 1 . . . . 76 TRP N . 16678 1 873 . 1 1 76 76 TRP NE1 N 15 126.916 0.042 . 1 . . . . 76 TRP NE1 . 16678 1 874 . 1 1 77 77 ILE H H 1 8.470 0.011 . 1 . . . . 77 ILE H . 16678 1 875 . 1 1 77 77 ILE HA H 1 3.662 0.016 . 1 . . . . 77 ILE HA . 16678 1 876 . 1 1 77 77 ILE HB H 1 2.047 0.010 . 1 . . . . 77 ILE HB . 16678 1 877 . 1 1 77 77 ILE HD11 H 1 0.869 0.009 . 1 . . . . 77 ILE HD11 . 16678 1 878 . 1 1 77 77 ILE HD12 H 1 0.869 0.009 . 1 . . . . 77 ILE HD12 . 16678 1 879 . 1 1 77 77 ILE HD13 H 1 0.869 0.009 . 1 . . . . 77 ILE HD13 . 16678 1 880 . 1 1 77 77 ILE HG12 H 1 1.099 0.019 . 2 . . . . 77 ILE HG12 . 16678 1 881 . 1 1 77 77 ILE HG13 H 1 2.048 0.014 . 2 . . . . 77 ILE HG13 . 16678 1 882 . 1 1 77 77 ILE HG21 H 1 0.991 0.010 . 1 . . . . 77 ILE HG21 . 16678 1 883 . 1 1 77 77 ILE HG22 H 1 0.991 0.010 . 1 . . . . 77 ILE HG22 . 16678 1 884 . 1 1 77 77 ILE HG23 H 1 0.991 0.010 . 1 . . . . 77 ILE HG23 . 16678 1 885 . 1 1 77 77 ILE C C 13 174.111 0.062 . 1 . . . . 77 ILE C . 16678 1 886 . 1 1 77 77 ILE CA C 13 65.767 0.397 . 1 . . . . 77 ILE CA . 16678 1 887 . 1 1 77 77 ILE CB C 13 37.911 0.135 . 1 . . . . 77 ILE CB . 16678 1 888 . 1 1 77 77 ILE CD1 C 13 14.428 0.065 . 1 . . . . 77 ILE CD1 . 16678 1 889 . 1 1 77 77 ILE CG1 C 13 31.700 0.204 . 1 . . . . 77 ILE CG1 . 16678 1 890 . 1 1 77 77 ILE CG2 C 13 16.640 0.165 . 1 . . . . 77 ILE CG2 . 16678 1 891 . 1 1 77 77 ILE N N 15 119.413 0.060 . 1 . . . . 77 ILE N . 16678 1 892 . 1 1 78 78 LEU H H 1 7.701 0.015 . 1 . . . . 78 LEU H . 16678 1 893 . 1 1 78 78 LEU HA H 1 4.521 0.011 . 1 . . . . 78 LEU HA . 16678 1 894 . 1 1 78 78 LEU HB2 H 1 1.480 0.013 . 2 . . . . 78 LEU HB2 . 16678 1 895 . 1 1 78 78 LEU HB3 H 1 2.305 0.024 . 2 . . . . 78 LEU HB3 . 16678 1 896 . 1 1 78 78 LEU HD11 H 1 0.878 0.012 . 2 . . . . 78 LEU HD11 . 16678 1 897 . 1 1 78 78 LEU HD12 H 1 0.878 0.012 . 2 . . . . 78 LEU HD12 . 16678 1 898 . 1 1 78 78 LEU HD13 H 1 0.878 0.012 . 2 . . . . 78 LEU HD13 . 16678 1 899 . 1 1 78 78 LEU HD21 H 1 0.884 0.011 . 2 . . . . 78 LEU HD21 . 16678 1 900 . 1 1 78 78 LEU HD22 H 1 0.884 0.011 . 2 . . . . 78 LEU HD22 . 16678 1 901 . 1 1 78 78 LEU HD23 H 1 0.884 0.011 . 2 . . . . 78 LEU HD23 . 16678 1 902 . 1 1 78 78 LEU HG H 1 2.140 0.014 . 1 . . . . 78 LEU HG . 16678 1 903 . 1 1 78 78 LEU C C 13 177.864 0.005 . 1 . . . . 78 LEU C . 16678 1 904 . 1 1 78 78 LEU CA C 13 56.204 0.064 . 1 . . . . 78 LEU CA . 16678 1 905 . 1 1 78 78 LEU CB C 13 43.740 0.231 . 1 . . . . 78 LEU CB . 16678 1 906 . 1 1 78 78 LEU CD1 C 13 25.817 0.112 . 2 . . . . 78 LEU CD1 . 16678 1 907 . 1 1 78 78 LEU CD2 C 13 22.310 0.088 . 2 . . . . 78 LEU CD2 . 16678 1 908 . 1 1 78 78 LEU CG C 13 25.772 0.044 . 1 . . . . 78 LEU CG . 16678 1 909 . 1 1 78 78 LEU N N 15 115.111 0.112 . 1 . . . . 78 LEU N . 16678 1 910 . 1 1 79 79 THR H H 1 9.955 0.013 . 1 . . . . 79 THR H . 16678 1 911 . 1 1 79 79 THR HA H 1 4.370 0.018 . 1 . . . . 79 THR HA . 16678 1 912 . 1 1 79 79 THR HB H 1 4.199 0.023 . 1 . . . . 79 THR HB . 16678 1 913 . 1 1 79 79 THR HG21 H 1 1.714 0.009 . 1 . . . . 79 THR HG21 . 16678 1 914 . 1 1 79 79 THR HG22 H 1 1.714 0.009 . 1 . . . . 79 THR HG22 . 16678 1 915 . 1 1 79 79 THR HG23 H 1 1.714 0.009 . 1 . . . . 79 THR HG23 . 16678 1 916 . 1 1 79 79 THR C C 13 179.128 0.000 . 1 . . . . 79 THR C . 16678 1 917 . 1 1 79 79 THR CA C 13 65.268 0.214 . 1 . . . . 79 THR CA . 16678 1 918 . 1 1 79 79 THR CB C 13 70.322 0.184 . 1 . . . . 79 THR CB . 16678 1 919 . 1 1 79 79 THR CG2 C 13 23.844 0.122 . 1 . . . . 79 THR CG2 . 16678 1 920 . 1 1 79 79 THR N N 15 106.815 0.107 . 1 . . . . 79 THR N . 16678 1 921 . 1 1 80 80 THR H H 1 8.326 0.016 . 1 . . . . 80 THR H . 16678 1 922 . 1 1 80 80 THR HA H 1 4.378 0.017 . 1 . . . . 80 THR HA . 16678 1 923 . 1 1 80 80 THR HG21 H 1 0.451 0.008 . 1 . . . . 80 THR HG21 . 16678 1 924 . 1 1 80 80 THR HG22 H 1 0.451 0.008 . 1 . . . . 80 THR HG22 . 16678 1 925 . 1 1 80 80 THR HG23 H 1 0.451 0.008 . 1 . . . . 80 THR HG23 . 16678 1 926 . 1 1 80 80 THR CA C 13 67.982 0.034 . 1 . . . . 80 THR CA . 16678 1 927 . 1 1 80 80 THR CG2 C 13 20.806 0.141 . 1 . . . . 80 THR CG2 . 16678 1 928 . 1 1 80 80 THR N N 15 116.724 0.082 . 1 . . . . 80 THR N . 16678 1 929 . 1 1 81 81 PRO HA H 1 4.480 0.016 . 1 . . . . 81 PRO HA . 16678 1 930 . 1 1 81 81 PRO HD2 H 1 3.701 0.017 . 1 . . . . 81 PRO HD2 . 16678 1 931 . 1 1 81 81 PRO HD3 H 1 3.701 0.017 . 1 . . . . 81 PRO HD3 . 16678 1 932 . 1 1 81 81 PRO C C 13 178.802 0.000 . 1 . . . . 81 PRO C . 16678 1 933 . 1 1 81 81 PRO CA C 13 66.063 0.001 . 1 . . . . 81 PRO CA . 16678 1 934 . 1 1 81 81 PRO CB C 13 30.237 0.000 . 1 . . . . 81 PRO CB . 16678 1 935 . 1 1 82 82 LEU H H 1 6.924 0.010 . 1 . . . . 82 LEU H . 16678 1 936 . 1 1 82 82 LEU HA H 1 4.443 0.017 . 1 . . . . 82 LEU HA . 16678 1 937 . 1 1 82 82 LEU HD11 H 1 1.017 0.025 . 2 . . . . 82 LEU HD11 . 16678 1 938 . 1 1 82 82 LEU HD12 H 1 1.017 0.025 . 2 . . . . 82 LEU HD12 . 16678 1 939 . 1 1 82 82 LEU HD13 H 1 1.017 0.025 . 2 . . . . 82 LEU HD13 . 16678 1 940 . 1 1 82 82 LEU HD21 H 1 1.073 0.025 . 2 . . . . 82 LEU HD21 . 16678 1 941 . 1 1 82 82 LEU HD22 H 1 1.073 0.025 . 2 . . . . 82 LEU HD22 . 16678 1 942 . 1 1 82 82 LEU HD23 H 1 1.073 0.025 . 2 . . . . 82 LEU HD23 . 16678 1 943 . 1 1 82 82 LEU HG H 1 2.296 0.023 . 1 . . . . 82 LEU HG . 16678 1 944 . 1 1 82 82 LEU C C 13 179.194 0.029 . 1 . . . . 82 LEU C . 16678 1 945 . 1 1 82 82 LEU CA C 13 57.540 0.109 . 1 . . . . 82 LEU CA . 16678 1 946 . 1 1 82 82 LEU CB C 13 41.036 0.168 . 1 . . . . 82 LEU CB . 16678 1 947 . 1 1 82 82 LEU CD1 C 13 22.885 0.079 . 2 . . . . 82 LEU CD1 . 16678 1 948 . 1 1 82 82 LEU CD2 C 13 25.524 0.115 . 2 . . . . 82 LEU CD2 . 16678 1 949 . 1 1 82 82 LEU CG C 13 26.725 0.223 . 1 . . . . 82 LEU CG . 16678 1 950 . 1 1 82 82 LEU N N 15 116.857 0.070 . 1 . . . . 82 LEU N . 16678 1 951 . 1 1 83 83 ILE H H 1 7.954 0.013 . 1 . . . . 83 ILE H . 16678 1 952 . 1 1 83 83 ILE HA H 1 4.375 0.008 . 1 . . . . 83 ILE HA . 16678 1 953 . 1 1 83 83 ILE HD11 H 1 1.127 0.013 . 1 . . . . 83 ILE HD11 . 16678 1 954 . 1 1 83 83 ILE HD12 H 1 1.127 0.013 . 1 . . . . 83 ILE HD12 . 16678 1 955 . 1 1 83 83 ILE HD13 H 1 1.127 0.013 . 1 . . . . 83 ILE HD13 . 16678 1 956 . 1 1 83 83 ILE HG21 H 1 0.863 0.004 . 1 . . . . 83 ILE HG21 . 16678 1 957 . 1 1 83 83 ILE HG22 H 1 0.863 0.004 . 1 . . . . 83 ILE HG22 . 16678 1 958 . 1 1 83 83 ILE HG23 H 1 0.863 0.004 . 1 . . . . 83 ILE HG23 . 16678 1 959 . 1 1 83 83 ILE C C 13 178.374 0.007 . 1 . . . . 83 ILE C . 16678 1 960 . 1 1 83 83 ILE CA C 13 66.111 0.218 . 1 . . . . 83 ILE CA . 16678 1 961 . 1 1 83 83 ILE CB C 13 37.275 0.017 . 1 . . . . 83 ILE CB . 16678 1 962 . 1 1 83 83 ILE CD1 C 13 14.392 0.118 . 1 . . . . 83 ILE CD1 . 16678 1 963 . 1 1 83 83 ILE CG1 C 13 29.893 0.000 . 1 . . . . 83 ILE CG1 . 16678 1 964 . 1 1 83 83 ILE CG2 C 13 17.482 0.097 . 1 . . . . 83 ILE CG2 . 16678 1 965 . 1 1 83 83 ILE N N 15 121.808 0.086 . 1 . . . . 83 ILE N . 16678 1 966 . 1 1 84 84 VAL H H 1 8.285 0.011 . 1 . . . . 84 VAL H . 16678 1 967 . 1 1 84 84 VAL HA H 1 3.776 0.013 . 1 . . . . 84 VAL HA . 16678 1 968 . 1 1 84 84 VAL HB H 1 2.350 0.010 . 1 . . . . 84 VAL HB . 16678 1 969 . 1 1 84 84 VAL HG11 H 1 1.070 0.024 . 2 . . . . 84 VAL HG11 . 16678 1 970 . 1 1 84 84 VAL HG12 H 1 1.070 0.024 . 2 . . . . 84 VAL HG12 . 16678 1 971 . 1 1 84 84 VAL HG13 H 1 1.070 0.024 . 2 . . . . 84 VAL HG13 . 16678 1 972 . 1 1 84 84 VAL HG21 H 1 1.287 0.012 . 2 . . . . 84 VAL HG21 . 16678 1 973 . 1 1 84 84 VAL HG22 H 1 1.287 0.012 . 2 . . . . 84 VAL HG22 . 16678 1 974 . 1 1 84 84 VAL HG23 H 1 1.287 0.012 . 2 . . . . 84 VAL HG23 . 16678 1 975 . 1 1 84 84 VAL C C 13 178.277 0.000 . 1 . . . . 84 VAL C . 16678 1 976 . 1 1 84 84 VAL CA C 13 67.314 0.077 . 1 . . . . 84 VAL CA . 16678 1 977 . 1 1 84 84 VAL CB C 13 31.030 0.253 . 1 . . . . 84 VAL CB . 16678 1 978 . 1 1 84 84 VAL CG1 C 13 23.208 0.092 . 2 . . . . 84 VAL CG1 . 16678 1 979 . 1 1 84 84 VAL CG2 C 13 23.356 0.091 . 2 . . . . 84 VAL CG2 . 16678 1 980 . 1 1 84 84 VAL N N 15 117.501 0.065 . 1 . . . . 84 VAL N . 16678 1 981 . 1 1 85 85 TYR H H 1 9.147 0.012 . 1 . . . . 85 TYR H . 16678 1 982 . 1 1 85 85 TYR HA H 1 4.665 0.014 . 1 . . . . 85 TYR HA . 16678 1 983 . 1 1 85 85 TYR HB2 H 1 3.369 0.017 . 2 . . . . 85 TYR HB2 . 16678 1 984 . 1 1 85 85 TYR HB3 H 1 3.583 0.018 . 2 . . . . 85 TYR HB3 . 16678 1 985 . 1 1 85 85 TYR HD1 H 1 6.900 0.008 . 3 . . . . 85 TYR HD1 . 16678 1 986 . 1 1 85 85 TYR HD2 H 1 6.900 0.008 . 3 . . . . 85 TYR HD2 . 16678 1 987 . 1 1 85 85 TYR HE1 H 1 6.464 0.011 . 3 . . . . 85 TYR HE1 . 16678 1 988 . 1 1 85 85 TYR HE2 H 1 6.464 0.011 . 3 . . . . 85 TYR HE2 . 16678 1 989 . 1 1 85 85 TYR C C 13 176.282 0.023 . 1 . . . . 85 TYR C . 16678 1 990 . 1 1 85 85 TYR CA C 13 60.851 0.079 . 1 . . . . 85 TYR CA . 16678 1 991 . 1 1 85 85 TYR CB C 13 38.154 0.007 . 1 . . . . 85 TYR CB . 16678 1 992 . 1 1 85 85 TYR CD1 C 13 132.610 0.041 . 3 . . . . 85 TYR CD1 . 16678 1 993 . 1 1 85 85 TYR CD2 C 13 132.610 0.041 . 3 . . . . 85 TYR CD2 . 16678 1 994 . 1 1 85 85 TYR CE1 C 13 117.734 0.032 . 3 . . . . 85 TYR CE1 . 16678 1 995 . 1 1 85 85 TYR CE2 C 13 117.734 0.032 . 3 . . . . 85 TYR CE2 . 16678 1 996 . 1 1 85 85 TYR N N 15 121.672 0.059 . 1 . . . . 85 TYR N . 16678 1 997 . 1 1 86 86 PHE H H 1 8.700 0.014 . 1 . . . . 86 PHE H . 16678 1 998 . 1 1 86 86 PHE HA H 1 3.932 0.012 . 1 . . . . 86 PHE HA . 16678 1 999 . 1 1 86 86 PHE HB2 H 1 2.463 0.016 . 2 . . . . 86 PHE HB2 . 16678 1 1000 . 1 1 86 86 PHE HB3 H 1 3.505 0.020 . 2 . . . . 86 PHE HB3 . 16678 1 1001 . 1 1 86 86 PHE HD1 H 1 7.363 0.012 . 3 . . . . 86 PHE HD1 . 16678 1 1002 . 1 1 86 86 PHE HD2 H 1 7.363 0.012 . 3 . . . . 86 PHE HD2 . 16678 1 1003 . 1 1 86 86 PHE HE1 H 1 7.000 0.013 . 3 . . . . 86 PHE HE1 . 16678 1 1004 . 1 1 86 86 PHE HE2 H 1 7.000 0.013 . 3 . . . . 86 PHE HE2 . 16678 1 1005 . 1 1 86 86 PHE HZ H 1 6.674 0.019 . 1 . . . . 86 PHE HZ . 16678 1 1006 . 1 1 86 86 PHE C C 13 178.488 0.026 . 1 . . . . 86 PHE C . 16678 1 1007 . 1 1 86 86 PHE CA C 13 62.211 0.110 . 1 . . . . 86 PHE CA . 16678 1 1008 . 1 1 86 86 PHE CB C 13 39.576 0.203 . 1 . . . . 86 PHE CB . 16678 1 1009 . 1 1 86 86 PHE CD1 C 13 131.302 0.048 . 3 . . . . 86 PHE CD1 . 16678 1 1010 . 1 1 86 86 PHE CD2 C 13 131.302 0.048 . 3 . . . . 86 PHE CD2 . 16678 1 1011 . 1 1 86 86 PHE CE1 C 13 128.330 0.116 . 3 . . . . 86 PHE CE1 . 16678 1 1012 . 1 1 86 86 PHE CE2 C 13 128.330 0.116 . 3 . . . . 86 PHE CE2 . 16678 1 1013 . 1 1 86 86 PHE CZ C 13 130.966 0.197 . 1 . . . . 86 PHE CZ . 16678 1 1014 . 1 1 86 86 PHE N N 15 120.778 0.110 . 1 . . . . 86 PHE N . 16678 1 1015 . 1 1 87 87 LEU H H 1 8.616 0.015 . 1 . . . . 87 LEU H . 16678 1 1016 . 1 1 87 87 LEU HA H 1 4.417 0.011 . 1 . . . . 87 LEU HA . 16678 1 1017 . 1 1 87 87 LEU HD11 H 1 1.011 0.017 . 2 . . . . 87 LEU HD11 . 16678 1 1018 . 1 1 87 87 LEU HD12 H 1 1.011 0.017 . 2 . . . . 87 LEU HD12 . 16678 1 1019 . 1 1 87 87 LEU HD13 H 1 1.011 0.017 . 2 . . . . 87 LEU HD13 . 16678 1 1020 . 1 1 87 87 LEU HD21 H 1 1.054 0.024 . 2 . . . . 87 LEU HD21 . 16678 1 1021 . 1 1 87 87 LEU HD22 H 1 1.054 0.024 . 2 . . . . 87 LEU HD22 . 16678 1 1022 . 1 1 87 87 LEU HD23 H 1 1.054 0.024 . 2 . . . . 87 LEU HD23 . 16678 1 1023 . 1 1 87 87 LEU C C 13 179.253 0.000 . 1 . . . . 87 LEU C . 16678 1 1024 . 1 1 87 87 LEU CA C 13 58.628 0.240 . 1 . . . . 87 LEU CA . 16678 1 1025 . 1 1 87 87 LEU CB C 13 41.253 0.001 . 1 . . . . 87 LEU CB . 16678 1 1026 . 1 1 87 87 LEU CD1 C 13 26.225 0.158 . 2 . . . . 87 LEU CD1 . 16678 1 1027 . 1 1 87 87 LEU CD2 C 13 23.638 0.120 . 2 . . . . 87 LEU CD2 . 16678 1 1028 . 1 1 87 87 LEU N N 15 115.827 0.068 . 1 . . . . 87 LEU N . 16678 1 1029 . 1 1 88 88 GLY H H 1 9.492 0.011 . 1 . . . . 88 GLY H . 16678 1 1030 . 1 1 88 88 GLY HA2 H 1 3.763 0.021 . 1 . . . . 88 GLY HA2 . 16678 1 1031 . 1 1 88 88 GLY HA3 H 1 3.763 0.021 . 1 . . . . 88 GLY HA3 . 16678 1 1032 . 1 1 88 88 GLY C C 13 176.197 0.031 . 1 . . . . 88 GLY C . 16678 1 1033 . 1 1 88 88 GLY CA C 13 47.339 0.061 . 1 . . . . 88 GLY CA . 16678 1 1034 . 1 1 88 88 GLY N N 15 107.327 0.056 . 1 . . . . 88 GLY N . 16678 1 1035 . 1 1 89 89 LEU H H 1 9.034 0.015 . 1 . . . . 89 LEU H . 16678 1 1036 . 1 1 89 89 LEU HA H 1 4.257 0.011 . 1 . . . . 89 LEU HA . 16678 1 1037 . 1 1 89 89 LEU HB2 H 1 1.400 0.011 . 2 . . . . 89 LEU HB2 . 16678 1 1038 . 1 1 89 89 LEU HB3 H 1 1.899 0.011 . 2 . . . . 89 LEU HB3 . 16678 1 1039 . 1 1 89 89 LEU HD11 H 1 0.631 0.012 . 2 . . . . 89 LEU HD11 . 16678 1 1040 . 1 1 89 89 LEU HD12 H 1 0.631 0.012 . 2 . . . . 89 LEU HD12 . 16678 1 1041 . 1 1 89 89 LEU HD13 H 1 0.631 0.012 . 2 . . . . 89 LEU HD13 . 16678 1 1042 . 1 1 89 89 LEU HD21 H 1 0.209 0.008 . 2 . . . . 89 LEU HD21 . 16678 1 1043 . 1 1 89 89 LEU HD22 H 1 0.209 0.008 . 2 . . . . 89 LEU HD22 . 16678 1 1044 . 1 1 89 89 LEU HD23 H 1 0.209 0.008 . 2 . . . . 89 LEU HD23 . 16678 1 1045 . 1 1 89 89 LEU HG H 1 1.263 0.014 . 1 . . . . 89 LEU HG . 16678 1 1046 . 1 1 89 89 LEU C C 13 181.242 0.004 . 1 . . . . 89 LEU C . 16678 1 1047 . 1 1 89 89 LEU CA C 13 57.439 0.067 . 1 . . . . 89 LEU CA . 16678 1 1048 . 1 1 89 89 LEU CB C 13 41.638 0.271 . 1 . . . . 89 LEU CB . 16678 1 1049 . 1 1 89 89 LEU CD1 C 13 22.309 0.098 . 2 . . . . 89 LEU CD1 . 16678 1 1050 . 1 1 89 89 LEU CD2 C 13 24.492 0.084 . 2 . . . . 89 LEU CD2 . 16678 1 1051 . 1 1 89 89 LEU CG C 13 25.583 0.025 . 1 . . . . 89 LEU CG . 16678 1 1052 . 1 1 89 89 LEU N N 15 125.092 0.061 . 1 . . . . 89 LEU N . 16678 1 1053 . 1 1 90 90 LEU H H 1 7.841 0.009 . 1 . . . . 90 LEU H . 16678 1 1054 . 1 1 90 90 LEU HA H 1 4.152 0.011 . 1 . . . . 90 LEU HA . 16678 1 1055 . 1 1 90 90 LEU HB2 H 1 1.680 0.021 . 2 . . . . 90 LEU HB2 . 16678 1 1056 . 1 1 90 90 LEU HB3 H 1 2.466 0.016 . 2 . . . . 90 LEU HB3 . 16678 1 1057 . 1 1 90 90 LEU HD11 H 1 0.939 0.024 . 2 . . . . 90 LEU HD11 . 16678 1 1058 . 1 1 90 90 LEU HD12 H 1 0.939 0.024 . 2 . . . . 90 LEU HD12 . 16678 1 1059 . 1 1 90 90 LEU HD13 H 1 0.939 0.024 . 2 . . . . 90 LEU HD13 . 16678 1 1060 . 1 1 90 90 LEU HD21 H 1 1.102 0.023 . 2 . . . . 90 LEU HD21 . 16678 1 1061 . 1 1 90 90 LEU HD22 H 1 1.102 0.023 . 2 . . . . 90 LEU HD22 . 16678 1 1062 . 1 1 90 90 LEU HD23 H 1 1.102 0.023 . 2 . . . . 90 LEU HD23 . 16678 1 1063 . 1 1 90 90 LEU HG H 1 2.110 0.018 . 1 . . . . 90 LEU HG . 16678 1 1064 . 1 1 90 90 LEU C C 13 178.393 0.003 . 1 . . . . 90 LEU C . 16678 1 1065 . 1 1 90 90 LEU CA C 13 57.384 0.047 . 1 . . . . 90 LEU CA . 16678 1 1066 . 1 1 90 90 LEU CB C 13 42.687 0.345 . 1 . . . . 90 LEU CB . 16678 1 1067 . 1 1 90 90 LEU CD1 C 13 23.789 0.080 . 2 . . . . 90 LEU CD1 . 16678 1 1068 . 1 1 90 90 LEU CD2 C 13 27.119 0.121 . 2 . . . . 90 LEU CD2 . 16678 1 1069 . 1 1 90 90 LEU CG C 13 26.224 0.060 . 1 . . . . 90 LEU CG . 16678 1 1070 . 1 1 90 90 LEU N N 15 119.081 0.070 . 1 . . . . 90 LEU N . 16678 1 1071 . 1 1 91 91 ALA H H 1 8.244 0.009 . 1 . . . . 91 ALA H . 16678 1 1072 . 1 1 91 91 ALA HA H 1 3.645 0.009 . 1 . . . . 91 ALA HA . 16678 1 1073 . 1 1 91 91 ALA HB1 H 1 1.217 0.010 . 1 . . . . 91 ALA HB1 . 16678 1 1074 . 1 1 91 91 ALA HB2 H 1 1.217 0.010 . 1 . . . . 91 ALA HB2 . 16678 1 1075 . 1 1 91 91 ALA HB3 H 1 1.217 0.010 . 1 . . . . 91 ALA HB3 . 16678 1 1076 . 1 1 91 91 ALA C C 13 177.047 0.007 . 1 . . . . 91 ALA C . 16678 1 1077 . 1 1 91 91 ALA CA C 13 52.935 0.090 . 1 . . . . 91 ALA CA . 16678 1 1078 . 1 1 91 91 ALA CB C 13 18.867 0.194 . 1 . . . . 91 ALA CB . 16678 1 1079 . 1 1 91 91 ALA N N 15 116.140 0.052 . 1 . . . . 91 ALA N . 16678 1 1080 . 1 1 92 92 GLY H H 1 7.750 0.013 . 1 . . . . 92 GLY H . 16678 1 1081 . 1 1 92 92 GLY HA2 H 1 3.912 0.011 . 1 . . . . 92 GLY HA2 . 16678 1 1082 . 1 1 92 92 GLY HA3 H 1 3.912 0.011 . 1 . . . . 92 GLY HA3 . 16678 1 1083 . 1 1 92 92 GLY C C 13 175.342 0.012 . 1 . . . . 92 GLY C . 16678 1 1084 . 1 1 92 92 GLY CA C 13 45.807 0.058 . 1 . . . . 92 GLY CA . 16678 1 1085 . 1 1 92 92 GLY N N 15 104.884 0.058 . 1 . . . . 92 GLY N . 16678 1 1086 . 1 1 93 93 LEU H H 1 7.437 0.009 . 1 . . . . 93 LEU H . 16678 1 1087 . 1 1 93 93 LEU HA H 1 4.170 0.013 . 1 . . . . 93 LEU HA . 16678 1 1088 . 1 1 93 93 LEU HB2 H 1 0.789 0.016 . 2 . . . . 93 LEU HB2 . 16678 1 1089 . 1 1 93 93 LEU HB3 H 1 1.383 0.016 . 2 . . . . 93 LEU HB3 . 16678 1 1090 . 1 1 93 93 LEU HD11 H 1 0.765 0.013 . 2 . . . . 93 LEU HD11 . 16678 1 1091 . 1 1 93 93 LEU HD12 H 1 0.765 0.013 . 2 . . . . 93 LEU HD12 . 16678 1 1092 . 1 1 93 93 LEU HD13 H 1 0.765 0.013 . 2 . . . . 93 LEU HD13 . 16678 1 1093 . 1 1 93 93 LEU HD21 H 1 0.774 0.014 . 2 . . . . 93 LEU HD21 . 16678 1 1094 . 1 1 93 93 LEU HD22 H 1 0.774 0.014 . 2 . . . . 93 LEU HD22 . 16678 1 1095 . 1 1 93 93 LEU HD23 H 1 0.774 0.014 . 2 . . . . 93 LEU HD23 . 16678 1 1096 . 1 1 93 93 LEU HG H 1 1.813 0.009 . 1 . . . . 93 LEU HG . 16678 1 1097 . 1 1 93 93 LEU C C 13 176.715 0.001 . 1 . . . . 93 LEU C . 16678 1 1098 . 1 1 93 93 LEU CA C 13 55.147 0.048 . 1 . . . . 93 LEU CA . 16678 1 1099 . 1 1 93 93 LEU CB C 13 41.829 0.208 . 1 . . . . 93 LEU CB . 16678 1 1100 . 1 1 93 93 LEU CD1 C 13 24.719 0.098 . 2 . . . . 93 LEU CD1 . 16678 1 1101 . 1 1 93 93 LEU CD2 C 13 22.504 0.091 . 2 . . . . 93 LEU CD2 . 16678 1 1102 . 1 1 93 93 LEU CG C 13 26.252 0.002 . 1 . . . . 93 LEU CG . 16678 1 1103 . 1 1 93 93 LEU N N 15 117.609 0.072 . 1 . . . . 93 LEU N . 16678 1 1104 . 1 1 94 94 ASP H H 1 8.468 0.032 . 1 . . . . 94 ASP H . 16678 1 1105 . 1 1 94 94 ASP HA H 1 4.934 0.007 . 1 . . . . 94 ASP HA . 16678 1 1106 . 1 1 94 94 ASP HB2 H 1 2.954 0.003 . 2 . . . . 94 ASP HB2 . 16678 1 1107 . 1 1 94 94 ASP HB3 H 1 3.201 0.010 . 2 . . . . 94 ASP HB3 . 16678 1 1108 . 1 1 94 94 ASP C C 13 177.348 0.019 . 1 . . . . 94 ASP C . 16678 1 1109 . 1 1 94 94 ASP CA C 13 52.732 0.174 . 1 . . . . 94 ASP CA . 16678 1 1110 . 1 1 94 94 ASP CB C 13 42.032 0.076 . 1 . . . . 94 ASP CB . 16678 1 1111 . 1 1 94 94 ASP N N 15 120.181 0.077 . 1 . . . . 94 ASP N . 16678 1 1112 . 1 1 95 95 SER H H 1 8.698 0.013 . 1 . . . . 95 SER H . 16678 1 1113 . 1 1 95 95 SER HA H 1 4.409 0.011 . 1 . . . . 95 SER HA . 16678 1 1114 . 1 1 95 95 SER HB2 H 1 4.136 0.014 . 1 . . . . 95 SER HB2 . 16678 1 1115 . 1 1 95 95 SER HB3 H 1 4.136 0.014 . 1 . . . . 95 SER HB3 . 16678 1 1116 . 1 1 95 95 SER C C 13 176.667 0.000 . 1 . . . . 95 SER C . 16678 1 1117 . 1 1 95 95 SER CA C 13 62.763 0.196 . 1 . . . . 95 SER CA . 16678 1 1118 . 1 1 95 95 SER N N 15 114.642 0.097 . 1 . . . . 95 SER N . 16678 1 1119 . 1 1 96 96 ARG H H 1 8.415 0.011 . 1 . . . . 96 ARG H . 16678 1 1120 . 1 1 96 96 ARG HA H 1 4.251 0.015 . 1 . . . . 96 ARG HA . 16678 1 1121 . 1 1 96 96 ARG HB2 H 1 1.733 0.015 . 2 . . . . 96 ARG HB2 . 16678 1 1122 . 1 1 96 96 ARG HB3 H 1 1.871 0.030 . 2 . . . . 96 ARG HB3 . 16678 1 1123 . 1 1 96 96 ARG HD2 H 1 3.421 0.000 . 1 . . . . 96 ARG HD2 . 16678 1 1124 . 1 1 96 96 ARG HD3 H 1 3.421 0.000 . 1 . . . . 96 ARG HD3 . 16678 1 1125 . 1 1 96 96 ARG C C 13 178.955 0.003 . 1 . . . . 96 ARG C . 16678 1 1126 . 1 1 96 96 ARG CA C 13 59.211 0.060 . 1 . . . . 96 ARG CA . 16678 1 1127 . 1 1 96 96 ARG CB C 13 29.399 0.191 . 1 . . . . 96 ARG CB . 16678 1 1128 . 1 1 96 96 ARG N N 15 122.184 0.039 . 1 . . . . 96 ARG N . 16678 1 1129 . 1 1 97 97 GLU H H 1 8.351 0.010 . 1 . . . . 97 GLU H . 16678 1 1130 . 1 1 97 97 GLU HA H 1 4.242 0.015 . 1 . . . . 97 GLU HA . 16678 1 1131 . 1 1 97 97 GLU HG2 H 1 2.524 0.017 . 2 . . . . 97 GLU HG2 . 16678 1 1132 . 1 1 97 97 GLU HG3 H 1 2.691 0.013 . 2 . . . . 97 GLU HG3 . 16678 1 1133 . 1 1 97 97 GLU C C 13 179.252 0.009 . 1 . . . . 97 GLU C . 16678 1 1134 . 1 1 97 97 GLU CA C 13 59.248 0.091 . 1 . . . . 97 GLU CA . 16678 1 1135 . 1 1 97 97 GLU CB C 13 29.543 0.069 . 1 . . . . 97 GLU CB . 16678 1 1136 . 1 1 97 97 GLU N N 15 118.412 0.067 . 1 . . . . 97 GLU N . 16678 1 1137 . 1 1 98 98 PHE H H 1 8.643 0.009 . 1 . . . . 98 PHE H . 16678 1 1138 . 1 1 98 98 PHE HA H 1 4.412 0.012 . 1 . . . . 98 PHE HA . 16678 1 1139 . 1 1 98 98 PHE HB2 H 1 3.187 0.011 . 2 . . . . 98 PHE HB2 . 16678 1 1140 . 1 1 98 98 PHE HB3 H 1 3.369 0.013 . 2 . . . . 98 PHE HB3 . 16678 1 1141 . 1 1 98 98 PHE HD1 H 1 7.316 0.012 . 3 . . . . 98 PHE HD1 . 16678 1 1142 . 1 1 98 98 PHE HD2 H 1 7.316 0.012 . 3 . . . . 98 PHE HD2 . 16678 1 1143 . 1 1 98 98 PHE HE1 H 1 7.536 0.009 . 3 . . . . 98 PHE HE1 . 16678 1 1144 . 1 1 98 98 PHE HE2 H 1 7.536 0.009 . 3 . . . . 98 PHE HE2 . 16678 1 1145 . 1 1 98 98 PHE HZ H 1 7.267 0.016 . 1 . . . . 98 PHE HZ . 16678 1 1146 . 1 1 98 98 PHE C C 13 178.466 0.003 . 1 . . . . 98 PHE C . 16678 1 1147 . 1 1 98 98 PHE CA C 13 61.635 0.163 . 1 . . . . 98 PHE CA . 16678 1 1148 . 1 1 98 98 PHE CB C 13 39.155 0.243 . 1 . . . . 98 PHE CB . 16678 1 1149 . 1 1 98 98 PHE CD1 C 13 131.081 0.036 . 3 . . . . 98 PHE CD1 . 16678 1 1150 . 1 1 98 98 PHE CD2 C 13 131.081 0.036 . 3 . . . . 98 PHE CD2 . 16678 1 1151 . 1 1 98 98 PHE CE1 C 13 131.400 0.168 . 3 . . . . 98 PHE CE1 . 16678 1 1152 . 1 1 98 98 PHE CE2 C 13 131.400 0.168 . 3 . . . . 98 PHE CE2 . 16678 1 1153 . 1 1 98 98 PHE CZ C 13 129.615 0.078 . 1 . . . . 98 PHE CZ . 16678 1 1154 . 1 1 98 98 PHE N N 15 117.465 0.076 . 1 . . . . 98 PHE N . 16678 1 1155 . 1 1 99 99 GLY H H 1 8.331 0.015 . 1 . . . . 99 GLY H . 16678 1 1156 . 1 1 99 99 GLY HA2 H 1 3.791 0.018 . 2 . . . . 99 GLY HA2 . 16678 1 1157 . 1 1 99 99 GLY HA3 H 1 4.106 0.020 . 2 . . . . 99 GLY HA3 . 16678 1 1158 . 1 1 99 99 GLY C C 13 176.479 0.008 . 1 . . . . 99 GLY C . 16678 1 1159 . 1 1 99 99 GLY CA C 13 47.662 0.194 . 1 . . . . 99 GLY CA . 16678 1 1160 . 1 1 99 99 GLY N N 15 104.212 0.066 . 1 . . . . 99 GLY N . 16678 1 1161 . 1 1 100 100 ILE H H 1 7.885 0.012 . 1 . . . . 100 ILE H . 16678 1 1162 . 1 1 100 100 ILE HA H 1 3.759 0.019 . 1 . . . . 100 ILE HA . 16678 1 1163 . 1 1 100 100 ILE HB H 1 1.993 0.018 . 1 . . . . 100 ILE HB . 16678 1 1164 . 1 1 100 100 ILE HD11 H 1 1.079 0.005 . 1 . . . . 100 ILE HD11 . 16678 1 1165 . 1 1 100 100 ILE HD12 H 1 1.079 0.005 . 1 . . . . 100 ILE HD12 . 16678 1 1166 . 1 1 100 100 ILE HD13 H 1 1.079 0.005 . 1 . . . . 100 ILE HD13 . 16678 1 1167 . 1 1 100 100 ILE HG12 H 1 1.143 0.016 . 2 . . . . 100 ILE HG12 . 16678 1 1168 . 1 1 100 100 ILE HG13 H 1 1.974 0.014 . 2 . . . . 100 ILE HG13 . 16678 1 1169 . 1 1 100 100 ILE HG21 H 1 0.717 0.011 . 1 . . . . 100 ILE HG21 . 16678 1 1170 . 1 1 100 100 ILE HG22 H 1 0.717 0.011 . 1 . . . . 100 ILE HG22 . 16678 1 1171 . 1 1 100 100 ILE HG23 H 1 0.717 0.011 . 1 . . . . 100 ILE HG23 . 16678 1 1172 . 1 1 100 100 ILE C C 13 177.586 0.019 . 1 . . . . 100 ILE C . 16678 1 1173 . 1 1 100 100 ILE CA C 13 65.919 0.314 . 1 . . . . 100 ILE CA . 16678 1 1174 . 1 1 100 100 ILE CB C 13 37.908 0.302 . 1 . . . . 100 ILE CB . 16678 1 1175 . 1 1 100 100 ILE CD1 C 13 13.303 0.066 . 1 . . . . 100 ILE CD1 . 16678 1 1176 . 1 1 100 100 ILE CG1 C 13 29.077 0.145 . 1 . . . . 100 ILE CG1 . 16678 1 1177 . 1 1 100 100 ILE CG2 C 13 16.512 0.083 . 1 . . . . 100 ILE CG2 . 16678 1 1178 . 1 1 100 100 ILE N N 15 122.559 0.047 . 1 . . . . 100 ILE N . 16678 1 1179 . 1 1 101 101 VAL H H 1 7.794 0.012 . 1 . . . . 101 VAL H . 16678 1 1180 . 1 1 101 101 VAL HA H 1 3.798 0.020 . 1 . . . . 101 VAL HA . 16678 1 1181 . 1 1 101 101 VAL HB H 1 2.057 0.016 . 1 . . . . 101 VAL HB . 16678 1 1182 . 1 1 101 101 VAL HG11 H 1 1.059 0.017 . 2 . . . . 101 VAL HG11 . 16678 1 1183 . 1 1 101 101 VAL HG12 H 1 1.059 0.017 . 2 . . . . 101 VAL HG12 . 16678 1 1184 . 1 1 101 101 VAL HG13 H 1 1.059 0.017 . 2 . . . . 101 VAL HG13 . 16678 1 1185 . 1 1 101 101 VAL HG21 H 1 1.076 0.019 . 2 . . . . 101 VAL HG21 . 16678 1 1186 . 1 1 101 101 VAL HG22 H 1 1.076 0.019 . 2 . . . . 101 VAL HG22 . 16678 1 1187 . 1 1 101 101 VAL HG23 H 1 1.076 0.019 . 2 . . . . 101 VAL HG23 . 16678 1 1188 . 1 1 101 101 VAL C C 13 178.066 0.002 . 1 . . . . 101 VAL C . 16678 1 1189 . 1 1 101 101 VAL CA C 13 66.126 0.060 . 1 . . . . 101 VAL CA . 16678 1 1190 . 1 1 101 101 VAL CB C 13 31.370 0.284 . 1 . . . . 101 VAL CB . 16678 1 1191 . 1 1 101 101 VAL CG1 C 13 21.991 0.087 . 2 . . . . 101 VAL CG1 . 16678 1 1192 . 1 1 101 101 VAL CG2 C 13 21.619 0.114 . 2 . . . . 101 VAL CG2 . 16678 1 1193 . 1 1 101 101 VAL N N 15 115.624 0.047 . 1 . . . . 101 VAL N . 16678 1 1194 . 1 1 102 102 ILE H H 1 8.650 0.008 . 1 . . . . 102 ILE H . 16678 1 1195 . 1 1 102 102 ILE HA H 1 4.004 0.015 . 1 . . . . 102 ILE HA . 16678 1 1196 . 1 1 102 102 ILE HB H 1 2.165 0.012 . 1 . . . . 102 ILE HB . 16678 1 1197 . 1 1 102 102 ILE HD11 H 1 1.033 0.011 . 1 . . . . 102 ILE HD11 . 16678 1 1198 . 1 1 102 102 ILE HD12 H 1 1.033 0.011 . 1 . . . . 102 ILE HD12 . 16678 1 1199 . 1 1 102 102 ILE HD13 H 1 1.033 0.011 . 1 . . . . 102 ILE HD13 . 16678 1 1200 . 1 1 102 102 ILE HG12 H 1 1.615 0.011 . 2 . . . . 102 ILE HG12 . 16678 1 1201 . 1 1 102 102 ILE HG13 H 1 1.776 0.015 . 2 . . . . 102 ILE HG13 . 16678 1 1202 . 1 1 102 102 ILE HG21 H 1 1.027 0.012 . 1 . . . . 102 ILE HG21 . 16678 1 1203 . 1 1 102 102 ILE HG22 H 1 1.027 0.012 . 1 . . . . 102 ILE HG22 . 16678 1 1204 . 1 1 102 102 ILE HG23 H 1 1.027 0.012 . 1 . . . . 102 ILE HG23 . 16678 1 1205 . 1 1 102 102 ILE C C 13 179.802 0.016 . 1 . . . . 102 ILE C . 16678 1 1206 . 1 1 102 102 ILE CA C 13 63.810 0.122 . 1 . . . . 102 ILE CA . 16678 1 1207 . 1 1 102 102 ILE CB C 13 36.182 0.243 . 1 . . . . 102 ILE CB . 16678 1 1208 . 1 1 102 102 ILE CD1 C 13 12.077 0.048 . 1 . . . . 102 ILE CD1 . 16678 1 1209 . 1 1 102 102 ILE CG1 C 13 29.485 0.150 . 1 . . . . 102 ILE CG1 . 16678 1 1210 . 1 1 102 102 ILE CG2 C 13 17.614 0.064 . 1 . . . . 102 ILE CG2 . 16678 1 1211 . 1 1 102 102 ILE N N 15 119.511 0.072 . 1 . . . . 102 ILE N . 16678 1 1212 . 1 1 103 103 THR H H 1 8.117 0.007 . 1 . . . . 103 THR H . 16678 1 1213 . 1 1 103 103 THR HA H 1 3.910 0.014 . 1 . . . . 103 THR HA . 16678 1 1214 . 1 1 103 103 THR HB H 1 4.496 0.007 . 1 . . . . 103 THR HB . 16678 1 1215 . 1 1 103 103 THR HG21 H 1 1.226 0.007 . 1 . . . . 103 THR HG21 . 16678 1 1216 . 1 1 103 103 THR HG22 H 1 1.226 0.007 . 1 . . . . 103 THR HG22 . 16678 1 1217 . 1 1 103 103 THR HG23 H 1 1.226 0.007 . 1 . . . . 103 THR HG23 . 16678 1 1218 . 1 1 103 103 THR C C 13 176.187 0.018 . 1 . . . . 103 THR C . 16678 1 1219 . 1 1 103 103 THR CA C 13 69.031 0.152 . 1 . . . . 103 THR CA . 16678 1 1220 . 1 1 103 103 THR CB C 13 66.817 0.071 . 1 . . . . 103 THR CB . 16678 1 1221 . 1 1 103 103 THR CG2 C 13 21.344 0.062 . 1 . . . . 103 THR CG2 . 16678 1 1222 . 1 1 103 103 THR N N 15 121.751 0.050 . 1 . . . . 103 THR N . 16678 1 1223 . 1 1 104 104 LEU H H 1 8.387 0.015 . 1 . . . . 104 LEU H . 16678 1 1224 . 1 1 104 104 LEU HA H 1 4.004 0.016 . 1 . . . . 104 LEU HA . 16678 1 1225 . 1 1 104 104 LEU HB2 H 1 1.648 0.017 . 1 . . . . 104 LEU HB2 . 16678 1 1226 . 1 1 104 104 LEU HD11 H 1 0.975 0.031 . 2 . . . . 104 LEU HD11 . 16678 1 1227 . 1 1 104 104 LEU HD12 H 1 0.975 0.031 . 2 . . . . 104 LEU HD12 . 16678 1 1228 . 1 1 104 104 LEU HD13 H 1 0.975 0.031 . 2 . . . . 104 LEU HD13 . 16678 1 1229 . 1 1 104 104 LEU HD21 H 1 1.055 0.024 . 2 . . . . 104 LEU HD21 . 16678 1 1230 . 1 1 104 104 LEU HD22 H 1 1.055 0.024 . 2 . . . . 104 LEU HD22 . 16678 1 1231 . 1 1 104 104 LEU HD23 H 1 1.055 0.024 . 2 . . . . 104 LEU HD23 . 16678 1 1232 . 1 1 104 104 LEU C C 13 178.246 0.015 . 1 . . . . 104 LEU C . 16678 1 1233 . 1 1 104 104 LEU CA C 13 58.740 0.031 . 1 . . . . 104 LEU CA . 16678 1 1234 . 1 1 104 104 LEU CB C 13 42.164 0.409 . 1 . . . . 104 LEU CB . 16678 1 1235 . 1 1 104 104 LEU CD1 C 13 25.390 0.098 . 2 . . . . 104 LEU CD1 . 16678 1 1236 . 1 1 104 104 LEU CD2 C 13 22.676 0.045 . 2 . . . . 104 LEU CD2 . 16678 1 1237 . 1 1 104 104 LEU N N 15 120.068 0.076 . 1 . . . . 104 LEU N . 16678 1 1238 . 1 1 105 105 ASN H H 1 8.220 0.010 . 1 . . . . 105 ASN H . 16678 1 1239 . 1 1 105 105 ASN HA H 1 4.278 0.021 . 1 . . . . 105 ASN HA . 16678 1 1240 . 1 1 105 105 ASN HB2 H 1 2.747 0.015 . 2 . . . . 105 ASN HB2 . 16678 1 1241 . 1 1 105 105 ASN HB3 H 1 2.955 0.004 . 2 . . . . 105 ASN HB3 . 16678 1 1242 . 1 1 105 105 ASN HD21 H 1 5.918 0.006 . 1 . . . . 105 ASN HD21 . 16678 1 1243 . 1 1 105 105 ASN HD22 H 1 7.605 0.006 . 1 . . . . 105 ASN HD22 . 16678 1 1244 . 1 1 105 105 ASN C C 13 176.677 0.002 . 1 . . . . 105 ASN C . 16678 1 1245 . 1 1 105 105 ASN CA C 13 58.656 0.131 . 1 . . . . 105 ASN CA . 16678 1 1246 . 1 1 105 105 ASN CB C 13 41.352 0.036 . 1 . . . . 105 ASN CB . 16678 1 1247 . 1 1 105 105 ASN N N 15 114.582 0.067 . 1 . . . . 105 ASN N . 16678 1 1248 . 1 1 105 105 ASN ND2 N 15 106.218 0.091 . 1 . . . . 105 ASN ND2 . 16678 1 1249 . 1 1 106 106 THR H H 1 8.259 0.016 . 1 . . . . 106 THR H . 16678 1 1250 . 1 1 106 106 THR HA H 1 4.276 0.018 . 1 . . . . 106 THR HA . 16678 1 1251 . 1 1 106 106 THR HB H 1 4.500 0.008 . 1 . . . . 106 THR HB . 16678 1 1252 . 1 1 106 106 THR HG21 H 1 1.320 0.015 . 1 . . . . 106 THR HG21 . 16678 1 1253 . 1 1 106 106 THR HG22 H 1 1.320 0.015 . 1 . . . . 106 THR HG22 . 16678 1 1254 . 1 1 106 106 THR HG23 H 1 1.320 0.015 . 1 . . . . 106 THR HG23 . 16678 1 1255 . 1 1 106 106 THR C C 13 176.272 0.000 . 1 . . . . 106 THR C . 16678 1 1256 . 1 1 106 106 THR CA C 13 66.814 0.165 . 1 . . . . 106 THR CA . 16678 1 1257 . 1 1 106 106 THR CB C 13 68.011 0.095 . 1 . . . . 106 THR CB . 16678 1 1258 . 1 1 106 106 THR CG2 C 13 20.883 0.081 . 1 . . . . 106 THR CG2 . 16678 1 1259 . 1 1 106 106 THR N N 15 113.896 0.063 . 1 . . . . 106 THR N . 16678 1 1260 . 1 1 107 107 VAL H H 1 8.344 0.020 . 1 . . . . 107 VAL H . 16678 1 1261 . 1 1 107 107 VAL HA H 1 3.534 0.011 . 1 . . . . 107 VAL HA . 16678 1 1262 . 1 1 107 107 VAL HB H 1 2.395 0.022 . 1 . . . . 107 VAL HB . 16678 1 1263 . 1 1 107 107 VAL HG11 H 1 0.934 0.023 . 2 . . . . 107 VAL HG11 . 16678 1 1264 . 1 1 107 107 VAL HG12 H 1 0.934 0.023 . 2 . . . . 107 VAL HG12 . 16678 1 1265 . 1 1 107 107 VAL HG13 H 1 0.934 0.023 . 2 . . . . 107 VAL HG13 . 16678 1 1266 . 1 1 107 107 VAL HG21 H 1 1.153 0.012 . 2 . . . . 107 VAL HG21 . 16678 1 1267 . 1 1 107 107 VAL HG22 H 1 1.153 0.012 . 2 . . . . 107 VAL HG22 . 16678 1 1268 . 1 1 107 107 VAL HG23 H 1 1.153 0.012 . 2 . . . . 107 VAL HG23 . 16678 1 1269 . 1 1 107 107 VAL C C 13 176.856 0.001 . 1 . . . . 107 VAL C . 16678 1 1270 . 1 1 107 107 VAL CA C 13 67.920 0.110 . 1 . . . . 107 VAL CA . 16678 1 1271 . 1 1 107 107 VAL CB C 13 30.428 0.285 . 1 . . . . 107 VAL CB . 16678 1 1272 . 1 1 107 107 VAL CG1 C 13 21.693 0.118 . 2 . . . . 107 VAL CG1 . 16678 1 1273 . 1 1 107 107 VAL CG2 C 13 23.124 0.110 . 2 . . . . 107 VAL CG2 . 16678 1 1274 . 1 1 107 107 VAL N N 15 120.470 0.106 . 1 . . . . 107 VAL N . 16678 1 1275 . 1 1 108 108 VAL H H 1 7.763 0.009 . 1 . . . . 108 VAL H . 16678 1 1276 . 1 1 108 108 VAL HA H 1 3.450 0.015 . 1 . . . . 108 VAL HA . 16678 1 1277 . 1 1 108 108 VAL HB H 1 2.697 0.012 . 1 . . . . 108 VAL HB . 16678 1 1278 . 1 1 108 108 VAL HG11 H 1 0.741 0.020 . 2 . . . . 108 VAL HG11 . 16678 1 1279 . 1 1 108 108 VAL HG12 H 1 0.741 0.020 . 2 . . . . 108 VAL HG12 . 16678 1 1280 . 1 1 108 108 VAL HG13 H 1 0.741 0.020 . 2 . . . . 108 VAL HG13 . 16678 1 1281 . 1 1 108 108 VAL HG21 H 1 1.495 0.015 . 2 . . . . 108 VAL HG21 . 16678 1 1282 . 1 1 108 108 VAL HG22 H 1 1.495 0.015 . 2 . . . . 108 VAL HG22 . 16678 1 1283 . 1 1 108 108 VAL HG23 H 1 1.495 0.015 . 2 . . . . 108 VAL HG23 . 16678 1 1284 . 1 1 108 108 VAL C C 13 177.530 0.001 . 1 . . . . 108 VAL C . 16678 1 1285 . 1 1 108 108 VAL CA C 13 67.708 0.150 . 1 . . . . 108 VAL CA . 16678 1 1286 . 1 1 108 108 VAL CB C 13 31.351 0.057 . 1 . . . . 108 VAL CB . 16678 1 1287 . 1 1 108 108 VAL CG1 C 13 22.436 0.094 . 2 . . . . 108 VAL CG1 . 16678 1 1288 . 1 1 108 108 VAL CG2 C 13 22.273 0.108 . 2 . . . . 108 VAL CG2 . 16678 1 1289 . 1 1 108 108 VAL N N 15 117.360 0.078 . 1 . . . . 108 VAL N . 16678 1 1290 . 1 1 109 109 MET H H 1 7.570 0.017 . 1 . . . . 109 MET H . 16678 1 1291 . 1 1 109 109 MET HA H 1 4.570 0.015 . 1 . . . . 109 MET HA . 16678 1 1292 . 1 1 109 109 MET HE1 H 1 1.461 0.010 . 1 . . . . 109 MET HE1 . 16678 1 1293 . 1 1 109 109 MET HE2 H 1 1.461 0.010 . 1 . . . . 109 MET HE2 . 16678 1 1294 . 1 1 109 109 MET HE3 H 1 1.461 0.010 . 1 . . . . 109 MET HE3 . 16678 1 1295 . 1 1 109 109 MET C C 13 180.663 0.001 . 1 . . . . 109 MET C . 16678 1 1296 . 1 1 109 109 MET CA C 13 56.124 0.020 . 1 . . . . 109 MET CA . 16678 1 1297 . 1 1 109 109 MET CB C 13 31.435 0.032 . 1 . . . . 109 MET CB . 16678 1 1298 . 1 1 109 109 MET CE C 13 18.437 0.119 . 1 . . . . 109 MET CE . 16678 1 1299 . 1 1 109 109 MET N N 15 111.965 0.055 . 1 . . . . 109 MET N . 16678 1 1300 . 1 1 110 110 LEU H H 1 8.994 0.013 . 1 . . . . 110 LEU H . 16678 1 1301 . 1 1 110 110 LEU HA H 1 4.302 0.009 . 1 . . . . 110 LEU HA . 16678 1 1302 . 1 1 110 110 LEU HB2 H 1 1.561 0.014 . 2 . . . . 110 LEU HB2 . 16678 1 1303 . 1 1 110 110 LEU HB3 H 1 1.977 0.023 . 2 . . . . 110 LEU HB3 . 16678 1 1304 . 1 1 110 110 LEU HD11 H 1 0.964 0.017 . 2 . . . . 110 LEU HD11 . 16678 1 1305 . 1 1 110 110 LEU HD12 H 1 0.964 0.017 . 2 . . . . 110 LEU HD12 . 16678 1 1306 . 1 1 110 110 LEU HD13 H 1 0.964 0.017 . 2 . . . . 110 LEU HD13 . 16678 1 1307 . 1 1 110 110 LEU HD21 H 1 0.989 0.024 . 2 . . . . 110 LEU HD21 . 16678 1 1308 . 1 1 110 110 LEU HD22 H 1 0.989 0.024 . 2 . . . . 110 LEU HD22 . 16678 1 1309 . 1 1 110 110 LEU HD23 H 1 0.989 0.024 . 2 . . . . 110 LEU HD23 . 16678 1 1310 . 1 1 110 110 LEU HG H 1 2.028 0.016 . 1 . . . . 110 LEU HG . 16678 1 1311 . 1 1 110 110 LEU C C 13 178.920 0.066 . 1 . . . . 110 LEU C . 16678 1 1312 . 1 1 110 110 LEU CA C 13 57.792 0.164 . 1 . . . . 110 LEU CA . 16678 1 1313 . 1 1 110 110 LEU CB C 13 42.229 0.245 . 1 . . . . 110 LEU CB . 16678 1 1314 . 1 1 110 110 LEU CD1 C 13 25.258 0.110 . 2 . . . . 110 LEU CD1 . 16678 1 1315 . 1 1 110 110 LEU CD2 C 13 23.442 0.093 . 2 . . . . 110 LEU CD2 . 16678 1 1316 . 1 1 110 110 LEU CG C 13 26.790 0.098 . 1 . . . . 110 LEU CG . 16678 1 1317 . 1 1 110 110 LEU N N 15 118.126 0.068 . 1 . . . . 110 LEU N . 16678 1 1318 . 1 1 111 111 ALA H H 1 8.685 0.008 . 1 . . . . 111 ALA H . 16678 1 1319 . 1 1 111 111 ALA HA H 1 3.990 0.017 . 1 . . . . 111 ALA HA . 16678 1 1320 . 1 1 111 111 ALA HB1 H 1 1.583 0.009 . 1 . . . . 111 ALA HB1 . 16678 1 1321 . 1 1 111 111 ALA HB2 H 1 1.583 0.009 . 1 . . . . 111 ALA HB2 . 16678 1 1322 . 1 1 111 111 ALA HB3 H 1 1.583 0.009 . 1 . . . . 111 ALA HB3 . 16678 1 1323 . 1 1 111 111 ALA C C 13 180.517 0.015 . 1 . . . . 111 ALA C . 16678 1 1324 . 1 1 111 111 ALA CA C 13 55.852 0.174 . 1 . . . . 111 ALA CA . 16678 1 1325 . 1 1 111 111 ALA CB C 13 17.250 0.195 . 1 . . . . 111 ALA CB . 16678 1 1326 . 1 1 111 111 ALA N N 15 120.604 0.050 . 1 . . . . 111 ALA N . 16678 1 1327 . 1 1 112 112 GLY H H 1 8.269 0.011 . 1 . . . . 112 GLY H . 16678 1 1328 . 1 1 112 112 GLY C C 13 175.014 0.006 . 1 . . . . 112 GLY C . 16678 1 1329 . 1 1 112 112 GLY CA C 13 47.595 0.002 . 1 . . . . 112 GLY CA . 16678 1 1330 . 1 1 112 112 GLY N N 15 102.044 0.124 . 1 . . . . 112 GLY N . 16678 1 1331 . 1 1 113 113 PHE H H 1 8.141 0.010 . 1 . . . . 113 PHE H . 16678 1 1332 . 1 1 113 113 PHE HA H 1 3.777 0.012 . 1 . . . . 113 PHE HA . 16678 1 1333 . 1 1 113 113 PHE HB2 H 1 3.346 0.014 . 1 . . . . 113 PHE HB2 . 16678 1 1334 . 1 1 113 113 PHE HB3 H 1 3.346 0.014 . 1 . . . . 113 PHE HB3 . 16678 1 1335 . 1 1 113 113 PHE HD1 H 1 7.030 0.023 . 3 . . . . 113 PHE HD1 . 16678 1 1336 . 1 1 113 113 PHE HD2 H 1 7.030 0.023 . 3 . . . . 113 PHE HD2 . 16678 1 1337 . 1 1 113 113 PHE HE1 H 1 7.172 0.015 . 3 . . . . 113 PHE HE1 . 16678 1 1338 . 1 1 113 113 PHE HE2 H 1 7.172 0.015 . 3 . . . . 113 PHE HE2 . 16678 1 1339 . 1 1 113 113 PHE C C 13 176.463 0.021 . 1 . . . . 113 PHE C . 16678 1 1340 . 1 1 113 113 PHE CA C 13 56.997 0.099 . 1 . . . . 113 PHE CA . 16678 1 1341 . 1 1 113 113 PHE CB C 13 38.410 0.027 . 1 . . . . 113 PHE CB . 16678 1 1342 . 1 1 113 113 PHE CD1 C 13 130.860 0.144 . 3 . . . . 113 PHE CD1 . 16678 1 1343 . 1 1 113 113 PHE CD2 C 13 130.860 0.144 . 3 . . . . 113 PHE CD2 . 16678 1 1344 . 1 1 113 113 PHE CE1 C 13 129.608 0.057 . 3 . . . . 113 PHE CE1 . 16678 1 1345 . 1 1 113 113 PHE CE2 C 13 129.608 0.057 . 3 . . . . 113 PHE CE2 . 16678 1 1346 . 1 1 113 113 PHE N N 15 121.275 0.071 . 1 . . . . 113 PHE N . 16678 1 1347 . 1 1 114 114 ALA H H 1 8.885 0.006 . 1 . . . . 114 ALA H . 16678 1 1348 . 1 1 114 114 ALA HA H 1 3.613 0.015 . 1 . . . . 114 ALA HA . 16678 1 1349 . 1 1 114 114 ALA HB1 H 1 1.422 0.008 . 1 . . . . 114 ALA HB1 . 16678 1 1350 . 1 1 114 114 ALA HB2 H 1 1.422 0.008 . 1 . . . . 114 ALA HB2 . 16678 1 1351 . 1 1 114 114 ALA HB3 H 1 1.422 0.008 . 1 . . . . 114 ALA HB3 . 16678 1 1352 . 1 1 114 114 ALA C C 13 179.616 0.012 . 1 . . . . 114 ALA C . 16678 1 1353 . 1 1 114 114 ALA CA C 13 55.084 0.118 . 1 . . . . 114 ALA CA . 16678 1 1354 . 1 1 114 114 ALA CB C 13 18.186 0.218 . 1 . . . . 114 ALA CB . 16678 1 1355 . 1 1 114 114 ALA N N 15 118.465 0.068 . 1 . . . . 114 ALA N . 16678 1 1356 . 1 1 115 115 GLY H H 1 8.691 0.007 . 1 . . . . 115 GLY H . 16678 1 1357 . 1 1 115 115 GLY HA2 H 1 3.981 0.022 . 1 . . . . 115 GLY HA2 . 16678 1 1358 . 1 1 115 115 GLY HA3 H 1 3.981 0.022 . 1 . . . . 115 GLY HA3 . 16678 1 1359 . 1 1 115 115 GLY C C 13 174.387 0.021 . 1 . . . . 115 GLY C . 16678 1 1360 . 1 1 115 115 GLY CA C 13 48.025 0.146 . 1 . . . . 115 GLY CA . 16678 1 1361 . 1 1 115 115 GLY N N 15 100.652 0.056 . 1 . . . . 115 GLY N . 16678 1 1362 . 1 1 116 116 ALA H H 1 7.957 0.010 . 1 . . . . 116 ALA H . 16678 1 1363 . 1 1 116 116 ALA HA H 1 4.120 0.008 . 1 . . . . 116 ALA HA . 16678 1 1364 . 1 1 116 116 ALA HB1 H 1 1.611 0.015 . 1 . . . . 116 ALA HB1 . 16678 1 1365 . 1 1 116 116 ALA HB2 H 1 1.611 0.015 . 1 . . . . 116 ALA HB2 . 16678 1 1366 . 1 1 116 116 ALA HB3 H 1 1.611 0.015 . 1 . . . . 116 ALA HB3 . 16678 1 1367 . 1 1 116 116 ALA C C 13 178.652 0.017 . 1 . . . . 116 ALA C . 16678 1 1368 . 1 1 116 116 ALA CA C 13 54.551 0.088 . 1 . . . . 116 ALA CA . 16678 1 1369 . 1 1 116 116 ALA CB C 13 17.624 0.222 . 1 . . . . 116 ALA CB . 16678 1 1370 . 1 1 116 116 ALA N N 15 120.482 0.085 . 1 . . . . 116 ALA N . 16678 1 1371 . 1 1 117 117 MET H H 1 7.307 0.012 . 1 . . . . 117 MET H . 16678 1 1372 . 1 1 117 117 MET HA H 1 4.660 0.010 . 1 . . . . 117 MET HA . 16678 1 1373 . 1 1 117 117 MET HE1 H 1 1.927 0.010 . 1 . . . . 117 MET HE1 . 16678 1 1374 . 1 1 117 117 MET HE2 H 1 1.927 0.010 . 1 . . . . 117 MET HE2 . 16678 1 1375 . 1 1 117 117 MET HE3 H 1 1.927 0.010 . 1 . . . . 117 MET HE3 . 16678 1 1376 . 1 1 117 117 MET C C 13 175.347 0.063 . 1 . . . . 117 MET C . 16678 1 1377 . 1 1 117 117 MET CA C 13 54.081 0.110 . 1 . . . . 117 MET CA . 16678 1 1378 . 1 1 117 117 MET CB C 13 31.230 0.000 . 1 . . . . 117 MET CB . 16678 1 1379 . 1 1 117 117 MET CE C 13 15.863 0.064 . 1 . . . . 117 MET CE . 16678 1 1380 . 1 1 117 117 MET N N 15 112.087 0.051 . 1 . . . . 117 MET N . 16678 1 1381 . 1 1 118 118 VAL H H 1 7.371 0.014 . 1 . . . . 118 VAL H . 16678 1 1382 . 1 1 118 118 VAL HA H 1 4.552 0.011 . 1 . . . . 118 VAL HA . 16678 1 1383 . 1 1 118 118 VAL HB H 1 2.281 0.019 . 1 . . . . 118 VAL HB . 16678 1 1384 . 1 1 118 118 VAL HG11 H 1 1.129 0.014 . 2 . . . . 118 VAL HG11 . 16678 1 1385 . 1 1 118 118 VAL HG12 H 1 1.129 0.014 . 2 . . . . 118 VAL HG12 . 16678 1 1386 . 1 1 118 118 VAL HG13 H 1 1.129 0.014 . 2 . . . . 118 VAL HG13 . 16678 1 1387 . 1 1 118 118 VAL HG21 H 1 1.132 0.014 . 2 . . . . 118 VAL HG21 . 16678 1 1388 . 1 1 118 118 VAL HG22 H 1 1.132 0.014 . 2 . . . . 118 VAL HG22 . 16678 1 1389 . 1 1 118 118 VAL HG23 H 1 1.132 0.014 . 2 . . . . 118 VAL HG23 . 16678 1 1390 . 1 1 118 118 VAL C C 13 175.718 0.000 . 1 . . . . 118 VAL C . 16678 1 1391 . 1 1 118 118 VAL CA C 13 59.478 0.059 . 1 . . . . 118 VAL CA . 16678 1 1392 . 1 1 118 118 VAL CB C 13 33.424 0.285 . 1 . . . . 118 VAL CB . 16678 1 1393 . 1 1 118 118 VAL CG1 C 13 22.378 0.154 . 2 . . . . 118 VAL CG1 . 16678 1 1394 . 1 1 118 118 VAL CG2 C 13 22.005 0.159 . 2 . . . . 118 VAL CG2 . 16678 1 1395 . 1 1 118 118 VAL N N 15 119.966 0.067 . 1 . . . . 118 VAL N . 16678 1 1396 . 1 1 119 119 PRO C C 13 178.876 0.000 . 1 . . . . 119 PRO C . 16678 1 1397 . 1 1 119 119 PRO CA C 13 64.402 0.000 . 1 . . . . 119 PRO CA . 16678 1 1398 . 1 1 119 119 PRO CB C 13 32.013 0.000 . 1 . . . . 119 PRO CB . 16678 1 1399 . 1 1 120 120 GLY H H 1 7.972 0.013 . 1 . . . . 120 GLY H . 16678 1 1400 . 1 1 120 120 GLY HA2 H 1 4.284 0.026 . 2 . . . . 120 GLY HA2 . 16678 1 1401 . 1 1 120 120 GLY HA3 H 1 4.551 0.004 . 2 . . . . 120 GLY HA3 . 16678 1 1402 . 1 1 120 120 GLY C C 13 176.710 0.001 . 1 . . . . 120 GLY C . 16678 1 1403 . 1 1 120 120 GLY CA C 13 44.576 0.003 . 1 . . . . 120 GLY CA . 16678 1 1404 . 1 1 120 120 GLY N N 15 104.810 0.089 . 1 . . . . 120 GLY N . 16678 1 1405 . 1 1 121 121 ILE H H 1 8.685 0.009 . 1 . . . . 121 ILE H . 16678 1 1406 . 1 1 121 121 ILE HA H 1 4.288 0.011 . 1 . . . . 121 ILE HA . 16678 1 1407 . 1 1 121 121 ILE HB H 1 2.317 0.007 . 1 . . . . 121 ILE HB . 16678 1 1408 . 1 1 121 121 ILE HD11 H 1 1.213 0.017 . 1 . . . . 121 ILE HD11 . 16678 1 1409 . 1 1 121 121 ILE HD12 H 1 1.213 0.017 . 1 . . . . 121 ILE HD12 . 16678 1 1410 . 1 1 121 121 ILE HD13 H 1 1.213 0.017 . 1 . . . . 121 ILE HD13 . 16678 1 1411 . 1 1 121 121 ILE HG12 H 1 1.704 0.006 . 2 . . . . 121 ILE HG12 . 16678 1 1412 . 1 1 121 121 ILE HG13 H 1 1.848 0.009 . 2 . . . . 121 ILE HG13 . 16678 1 1413 . 1 1 121 121 ILE HG21 H 1 1.291 0.014 . 1 . . . . 121 ILE HG21 . 16678 1 1414 . 1 1 121 121 ILE HG22 H 1 1.291 0.014 . 1 . . . . 121 ILE HG22 . 16678 1 1415 . 1 1 121 121 ILE HG23 H 1 1.291 0.014 . 1 . . . . 121 ILE HG23 . 16678 1 1416 . 1 1 121 121 ILE C C 13 176.838 0.002 . 1 . . . . 121 ILE C . 16678 1 1417 . 1 1 121 121 ILE CA C 13 63.626 0.111 . 1 . . . . 121 ILE CA . 16678 1 1418 . 1 1 121 121 ILE CB C 13 38.802 0.220 . 1 . . . . 121 ILE CB . 16678 1 1419 . 1 1 121 121 ILE CD1 C 13 14.399 0.059 . 1 . . . . 121 ILE CD1 . 16678 1 1420 . 1 1 121 121 ILE CG1 C 13 28.087 0.084 . 1 . . . . 121 ILE CG1 . 16678 1 1421 . 1 1 121 121 ILE CG2 C 13 18.258 0.074 . 1 . . . . 121 ILE CG2 . 16678 1 1422 . 1 1 121 121 ILE N N 15 119.533 0.093 . 1 . . . . 121 ILE N . 16678 1 1423 . 1 1 122 122 GLU H H 1 10.463 0.016 . 1 . . . . 122 GLU H . 16678 1 1424 . 1 1 122 122 GLU HA H 1 4.239 0.033 . 1 . . . . 122 GLU HA . 16678 1 1425 . 1 1 122 122 GLU HB2 H 1 2.163 0.016 . 1 . . . . 122 GLU HB2 . 16678 1 1426 . 1 1 122 122 GLU HB3 H 1 2.163 0.016 . 1 . . . . 122 GLU HB3 . 16678 1 1427 . 1 1 122 122 GLU HG2 H 1 2.460 0.013 . 2 . . . . 122 GLU HG2 . 16678 1 1428 . 1 1 122 122 GLU HG3 H 1 2.586 0.009 . 2 . . . . 122 GLU HG3 . 16678 1 1429 . 1 1 122 122 GLU C C 13 178.535 0.003 . 1 . . . . 122 GLU C . 16678 1 1430 . 1 1 122 122 GLU CA C 13 59.784 0.047 . 1 . . . . 122 GLU CA . 16678 1 1431 . 1 1 122 122 GLU CB C 13 27.439 0.223 . 1 . . . . 122 GLU CB . 16678 1 1432 . 1 1 122 122 GLU N N 15 121.853 0.039 . 1 . . . . 122 GLU N . 16678 1 1433 . 1 1 123 123 ARG H H 1 8.256 0.013 . 1 . . . . 123 ARG H . 16678 1 1434 . 1 1 123 123 ARG HA H 1 4.326 0.020 . 1 . . . . 123 ARG HA . 16678 1 1435 . 1 1 123 123 ARG HD2 H 1 3.325 0.006 . 1 . . . . 123 ARG HD2 . 16678 1 1436 . 1 1 123 123 ARG HD3 H 1 3.325 0.006 . 1 . . . . 123 ARG HD3 . 16678 1 1437 . 1 1 123 123 ARG C C 13 178.169 0.007 . 1 . . . . 123 ARG C . 16678 1 1438 . 1 1 123 123 ARG CA C 13 58.417 0.065 . 1 . . . . 123 ARG CA . 16678 1 1439 . 1 1 123 123 ARG CB C 13 28.039 0.038 . 1 . . . . 123 ARG CB . 16678 1 1440 . 1 1 123 123 ARG N N 15 119.712 0.044 . 1 . . . . 123 ARG N . 16678 1 1441 . 1 1 124 124 TYR H H 1 8.222 0.016 . 1 . . . . 124 TYR H . 16678 1 1442 . 1 1 124 124 TYR HA H 1 4.175 0.020 . 1 . . . . 124 TYR HA . 16678 1 1443 . 1 1 124 124 TYR HB2 H 1 3.169 0.016 . 2 . . . . 124 TYR HB2 . 16678 1 1444 . 1 1 124 124 TYR HB3 H 1 3.274 0.019 . 2 . . . . 124 TYR HB3 . 16678 1 1445 . 1 1 124 124 TYR HD1 H 1 7.406 0.010 . 3 . . . . 124 TYR HD1 . 16678 1 1446 . 1 1 124 124 TYR HD2 H 1 7.406 0.010 . 3 . . . . 124 TYR HD2 . 16678 1 1447 . 1 1 124 124 TYR HE1 H 1 6.882 0.007 . 3 . . . . 124 TYR HE1 . 16678 1 1448 . 1 1 124 124 TYR HE2 H 1 6.882 0.007 . 3 . . . . 124 TYR HE2 . 16678 1 1449 . 1 1 124 124 TYR C C 13 178.496 0.000 . 1 . . . . 124 TYR C . 16678 1 1450 . 1 1 124 124 TYR CA C 13 61.876 0.021 . 1 . . . . 124 TYR CA . 16678 1 1451 . 1 1 124 124 TYR CB C 13 37.438 0.220 . 1 . . . . 124 TYR CB . 16678 1 1452 . 1 1 124 124 TYR CD1 C 13 131.981 0.050 . 3 . . . . 124 TYR CD1 . 16678 1 1453 . 1 1 124 124 TYR CD2 C 13 131.981 0.050 . 3 . . . . 124 TYR CD2 . 16678 1 1454 . 1 1 124 124 TYR CE1 C 13 117.763 0.126 . 3 . . . . 124 TYR CE1 . 16678 1 1455 . 1 1 124 124 TYR CE2 C 13 117.763 0.126 . 3 . . . . 124 TYR CE2 . 16678 1 1456 . 1 1 124 124 TYR N N 15 118.427 0.083 . 1 . . . . 124 TYR N . 16678 1 1457 . 1 1 125 125 ALA H H 1 7.990 0.013 . 1 . . . . 125 ALA H . 16678 1 1458 . 1 1 125 125 ALA HA H 1 4.321 0.021 . 1 . . . . 125 ALA HA . 16678 1 1459 . 1 1 125 125 ALA HB1 H 1 1.707 0.012 . 1 . . . . 125 ALA HB1 . 16678 1 1460 . 1 1 125 125 ALA HB2 H 1 1.707 0.012 . 1 . . . . 125 ALA HB2 . 16678 1 1461 . 1 1 125 125 ALA HB3 H 1 1.707 0.012 . 1 . . . . 125 ALA HB3 . 16678 1 1462 . 1 1 125 125 ALA C C 13 179.097 0.008 . 1 . . . . 125 ALA C . 16678 1 1463 . 1 1 125 125 ALA CA C 13 54.872 0.123 . 1 . . . . 125 ALA CA . 16678 1 1464 . 1 1 125 125 ALA CB C 13 17.990 0.242 . 1 . . . . 125 ALA CB . 16678 1 1465 . 1 1 125 125 ALA N N 15 121.565 0.056 . 1 . . . . 125 ALA N . 16678 1 1466 . 1 1 126 126 LEU H H 1 7.225 0.011 . 1 . . . . 126 LEU H . 16678 1 1467 . 1 1 126 126 LEU HA H 1 4.159 0.006 . 1 . . . . 126 LEU HA . 16678 1 1468 . 1 1 126 126 LEU HB2 H 1 2.189 0.022 . 1 . . . . 126 LEU HB2 . 16678 1 1469 . 1 1 126 126 LEU HD11 H 1 0.993 0.015 . 2 . . . . 126 LEU HD11 . 16678 1 1470 . 1 1 126 126 LEU HD12 H 1 0.993 0.015 . 2 . . . . 126 LEU HD12 . 16678 1 1471 . 1 1 126 126 LEU HD13 H 1 0.993 0.015 . 2 . . . . 126 LEU HD13 . 16678 1 1472 . 1 1 126 126 LEU HD21 H 1 0.996 0.015 . 2 . . . . 126 LEU HD21 . 16678 1 1473 . 1 1 126 126 LEU HD22 H 1 0.996 0.015 . 2 . . . . 126 LEU HD22 . 16678 1 1474 . 1 1 126 126 LEU HD23 H 1 0.996 0.015 . 2 . . . . 126 LEU HD23 . 16678 1 1475 . 1 1 126 126 LEU HG H 1 2.168 0.017 . 1 . . . . 126 LEU HG . 16678 1 1476 . 1 1 126 126 LEU C C 13 178.440 0.004 . 1 . . . . 126 LEU C . 16678 1 1477 . 1 1 126 126 LEU CA C 13 57.982 0.079 . 1 . . . . 126 LEU CA . 16678 1 1478 . 1 1 126 126 LEU CB C 13 39.665 0.548 . 1 . . . . 126 LEU CB . 16678 1 1479 . 1 1 126 126 LEU CD1 C 13 25.358 0.128 . 2 . . . . 126 LEU CD1 . 16678 1 1480 . 1 1 126 126 LEU CD2 C 13 23.337 0.099 . 2 . . . . 126 LEU CD2 . 16678 1 1481 . 1 1 126 126 LEU CG C 13 27.385 0.147 . 1 . . . . 126 LEU CG . 16678 1 1482 . 1 1 126 126 LEU N N 15 117.704 0.070 . 1 . . . . 126 LEU N . 16678 1 1483 . 1 1 127 127 PHE H H 1 8.064 0.011 . 1 . . . . 127 PHE H . 16678 1 1484 . 1 1 127 127 PHE HA H 1 3.537 0.012 . 1 . . . . 127 PHE HA . 16678 1 1485 . 1 1 127 127 PHE HB2 H 1 2.570 0.012 . 2 . . . . 127 PHE HB2 . 16678 1 1486 . 1 1 127 127 PHE HB3 H 1 3.181 0.014 . 2 . . . . 127 PHE HB3 . 16678 1 1487 . 1 1 127 127 PHE HD1 H 1 6.467 0.013 . 3 . . . . 127 PHE HD1 . 16678 1 1488 . 1 1 127 127 PHE HD2 H 1 6.467 0.013 . 3 . . . . 127 PHE HD2 . 16678 1 1489 . 1 1 127 127 PHE HE1 H 1 7.198 0.012 . 3 . . . . 127 PHE HE1 . 16678 1 1490 . 1 1 127 127 PHE HE2 H 1 7.198 0.012 . 3 . . . . 127 PHE HE2 . 16678 1 1491 . 1 1 127 127 PHE C C 13 176.884 0.005 . 1 . . . . 127 PHE C . 16678 1 1492 . 1 1 127 127 PHE CA C 13 61.820 0.131 . 1 . . . . 127 PHE CA . 16678 1 1493 . 1 1 127 127 PHE CB C 13 38.536 0.244 . 1 . . . . 127 PHE CB . 16678 1 1494 . 1 1 127 127 PHE CD1 C 13 131.975 0.070 . 3 . . . . 127 PHE CD1 . 16678 1 1495 . 1 1 127 127 PHE CD2 C 13 131.975 0.070 . 3 . . . . 127 PHE CD2 . 16678 1 1496 . 1 1 127 127 PHE CE1 C 13 129.945 0.011 . 3 . . . . 127 PHE CE1 . 16678 1 1497 . 1 1 127 127 PHE CE2 C 13 129.945 0.011 . 3 . . . . 127 PHE CE2 . 16678 1 1498 . 1 1 127 127 PHE N N 15 118.131 0.085 . 1 . . . . 127 PHE N . 16678 1 1499 . 1 1 128 128 GLY H H 1 8.568 0.008 . 1 . . . . 128 GLY H . 16678 1 1500 . 1 1 128 128 GLY HA2 H 1 3.551 0.014 . 2 . . . . 128 GLY HA2 . 16678 1 1501 . 1 1 128 128 GLY HA3 H 1 3.715 0.021 . 2 . . . . 128 GLY HA3 . 16678 1 1502 . 1 1 128 128 GLY C C 13 174.251 0.034 . 1 . . . . 128 GLY C . 16678 1 1503 . 1 1 128 128 GLY CA C 13 46.981 0.024 . 1 . . . . 128 GLY CA . 16678 1 1504 . 1 1 128 128 GLY N N 15 104.867 0.047 . 1 . . . . 128 GLY N . 16678 1 1505 . 1 1 129 129 MET H H 1 8.048 0.013 . 1 . . . . 129 MET H . 16678 1 1506 . 1 1 129 129 MET HA H 1 4.095 0.018 . 1 . . . . 129 MET HA . 16678 1 1507 . 1 1 129 129 MET HE1 H 1 2.072 0.009 . 1 . . . . 129 MET HE1 . 16678 1 1508 . 1 1 129 129 MET HE2 H 1 2.072 0.009 . 1 . . . . 129 MET HE2 . 16678 1 1509 . 1 1 129 129 MET HE3 H 1 2.072 0.009 . 1 . . . . 129 MET HE3 . 16678 1 1510 . 1 1 129 129 MET HG2 H 1 2.514 0.017 . 2 . . . . 129 MET HG2 . 16678 1 1511 . 1 1 129 129 MET HG3 H 1 2.648 0.011 . 2 . . . . 129 MET HG3 . 16678 1 1512 . 1 1 129 129 MET C C 13 177.839 0.033 . 1 . . . . 129 MET C . 16678 1 1513 . 1 1 129 129 MET CA C 13 59.120 0.109 . 1 . . . . 129 MET CA . 16678 1 1514 . 1 1 129 129 MET CB C 13 32.205 0.150 . 1 . . . . 129 MET CB . 16678 1 1515 . 1 1 129 129 MET CE C 13 17.268 0.121 . 1 . . . . 129 MET CE . 16678 1 1516 . 1 1 129 129 MET N N 15 119.607 0.051 . 1 . . . . 129 MET N . 16678 1 1517 . 1 1 130 130 GLY H H 1 8.081 0.010 . 1 . . . . 130 GLY H . 16678 1 1518 . 1 1 130 130 GLY C C 13 174.953 0.006 . 1 . . . . 130 GLY C . 16678 1 1519 . 1 1 130 130 GLY CA C 13 47.475 0.036 . 1 . . . . 130 GLY CA . 16678 1 1520 . 1 1 130 130 GLY N N 15 105.147 0.057 . 1 . . . . 130 GLY N . 16678 1 1521 . 1 1 131 131 ALA H H 1 8.727 0.009 . 1 . . . . 131 ALA H . 16678 1 1522 . 1 1 131 131 ALA HA H 1 4.013 0.018 . 1 . . . . 131 ALA HA . 16678 1 1523 . 1 1 131 131 ALA HB1 H 1 1.207 0.014 . 1 . . . . 131 ALA HB1 . 16678 1 1524 . 1 1 131 131 ALA HB2 H 1 1.207 0.014 . 1 . . . . 131 ALA HB2 . 16678 1 1525 . 1 1 131 131 ALA HB3 H 1 1.207 0.014 . 1 . . . . 131 ALA HB3 . 16678 1 1526 . 1 1 131 131 ALA C C 13 178.941 0.016 . 1 . . . . 131 ALA C . 16678 1 1527 . 1 1 131 131 ALA CA C 13 55.234 0.176 . 1 . . . . 131 ALA CA . 16678 1 1528 . 1 1 131 131 ALA CB C 13 17.027 0.233 . 1 . . . . 131 ALA CB . 16678 1 1529 . 1 1 131 131 ALA N N 15 123.407 0.080 . 1 . . . . 131 ALA N . 16678 1 1530 . 1 1 132 132 VAL H H 1 8.081 0.010 . 1 . . . . 132 VAL H . 16678 1 1531 . 1 1 132 132 VAL HA H 1 3.715 0.017 . 1 . . . . 132 VAL HA . 16678 1 1532 . 1 1 132 132 VAL HB H 1 2.303 0.013 . 1 . . . . 132 VAL HB . 16678 1 1533 . 1 1 132 132 VAL HG11 H 1 1.010 0.011 . 2 . . . . 132 VAL HG11 . 16678 1 1534 . 1 1 132 132 VAL HG12 H 1 1.010 0.011 . 2 . . . . 132 VAL HG12 . 16678 1 1535 . 1 1 132 132 VAL HG13 H 1 1.010 0.011 . 2 . . . . 132 VAL HG13 . 16678 1 1536 . 1 1 132 132 VAL HG21 H 1 1.170 0.019 . 2 . . . . 132 VAL HG21 . 16678 1 1537 . 1 1 132 132 VAL HG22 H 1 1.170 0.019 . 2 . . . . 132 VAL HG22 . 16678 1 1538 . 1 1 132 132 VAL HG23 H 1 1.170 0.019 . 2 . . . . 132 VAL HG23 . 16678 1 1539 . 1 1 132 132 VAL C C 13 177.647 0.001 . 1 . . . . 132 VAL C . 16678 1 1540 . 1 1 132 132 VAL CA C 13 66.967 0.182 . 1 . . . . 132 VAL CA . 16678 1 1541 . 1 1 132 132 VAL CB C 13 31.151 0.269 . 1 . . . . 132 VAL CB . 16678 1 1542 . 1 1 132 132 VAL CG1 C 13 21.517 0.078 . 2 . . . . 132 VAL CG1 . 16678 1 1543 . 1 1 132 132 VAL CG2 C 13 23.049 0.072 . 2 . . . . 132 VAL CG2 . 16678 1 1544 . 1 1 132 132 VAL N N 15 116.164 0.052 . 1 . . . . 132 VAL N . 16678 1 1545 . 1 1 133 133 ALA H H 1 7.958 0.010 . 1 . . . . 133 ALA H . 16678 1 1546 . 1 1 133 133 ALA HA H 1 4.066 0.017 . 1 . . . . 133 ALA HA . 16678 1 1547 . 1 1 133 133 ALA HB1 H 1 1.658 0.016 . 1 . . . . 133 ALA HB1 . 16678 1 1548 . 1 1 133 133 ALA HB2 H 1 1.658 0.016 . 1 . . . . 133 ALA HB2 . 16678 1 1549 . 1 1 133 133 ALA HB3 H 1 1.658 0.016 . 1 . . . . 133 ALA HB3 . 16678 1 1550 . 1 1 133 133 ALA C C 13 178.637 0.002 . 1 . . . . 133 ALA C . 16678 1 1551 . 1 1 133 133 ALA CA C 13 55.358 0.103 . 1 . . . . 133 ALA CA . 16678 1 1552 . 1 1 133 133 ALA CB C 13 17.416 0.250 . 1 . . . . 133 ALA CB . 16678 1 1553 . 1 1 133 133 ALA N N 15 120.360 0.079 . 1 . . . . 133 ALA N . 16678 1 1554 . 1 1 134 134 PHE H H 1 8.540 0.015 . 1 . . . . 134 PHE H . 16678 1 1555 . 1 1 134 134 PHE HA H 1 4.382 0.014 . 1 . . . . 134 PHE HA . 16678 1 1556 . 1 1 134 134 PHE HB2 H 1 3.481 0.023 . 1 . . . . 134 PHE HB2 . 16678 1 1557 . 1 1 134 134 PHE HB3 H 1 3.481 0.023 . 1 . . . . 134 PHE HB3 . 16678 1 1558 . 1 1 134 134 PHE HD1 H 1 7.322 0.015 . 3 . . . . 134 PHE HD1 . 16678 1 1559 . 1 1 134 134 PHE HD2 H 1 7.322 0.015 . 3 . . . . 134 PHE HD2 . 16678 1 1560 . 1 1 134 134 PHE HE1 H 1 7.485 0.013 . 3 . . . . 134 PHE HE1 . 16678 1 1561 . 1 1 134 134 PHE HE2 H 1 7.485 0.013 . 3 . . . . 134 PHE HE2 . 16678 1 1562 . 1 1 134 134 PHE HZ H 1 7.390 0.011 . 1 . . . . 134 PHE HZ . 16678 1 1563 . 1 1 134 134 PHE C C 13 176.613 0.031 . 1 . . . . 134 PHE C . 16678 1 1564 . 1 1 134 134 PHE CA C 13 60.590 0.110 . 1 . . . . 134 PHE CA . 16678 1 1565 . 1 1 134 134 PHE CB C 13 39.232 0.242 . 1 . . . . 134 PHE CB . 16678 1 1566 . 1 1 134 134 PHE CE1 C 13 130.692 0.051 . 3 . . . . 134 PHE CE1 . 16678 1 1567 . 1 1 134 134 PHE CE2 C 13 130.692 0.051 . 3 . . . . 134 PHE CE2 . 16678 1 1568 . 1 1 134 134 PHE CZ C 13 129.125 0.117 . 1 . . . . 134 PHE CZ . 16678 1 1569 . 1 1 134 134 PHE N N 15 118.479 0.059 . 1 . . . . 134 PHE N . 16678 1 1570 . 1 1 135 135 ILE H H 1 8.195 0.014 . 1 . . . . 135 ILE H . 16678 1 1571 . 1 1 135 135 ILE HA H 1 3.602 0.013 . 1 . . . . 135 ILE HA . 16678 1 1572 . 1 1 135 135 ILE HB H 1 2.344 0.015 . 1 . . . . 135 ILE HB . 16678 1 1573 . 1 1 135 135 ILE HD11 H 1 1.009 0.007 . 1 . . . . 135 ILE HD11 . 16678 1 1574 . 1 1 135 135 ILE HD12 H 1 1.009 0.007 . 1 . . . . 135 ILE HD12 . 16678 1 1575 . 1 1 135 135 ILE HD13 H 1 1.009 0.007 . 1 . . . . 135 ILE HD13 . 16678 1 1576 . 1 1 135 135 ILE HG12 H 1 1.479 0.016 . 2 . . . . 135 ILE HG12 . 16678 1 1577 . 1 1 135 135 ILE HG13 H 1 2.084 0.020 . 2 . . . . 135 ILE HG13 . 16678 1 1578 . 1 1 135 135 ILE HG21 H 1 1.028 0.009 . 1 . . . . 135 ILE HG21 . 16678 1 1579 . 1 1 135 135 ILE HG22 H 1 1.028 0.009 . 1 . . . . 135 ILE HG22 . 16678 1 1580 . 1 1 135 135 ILE HG23 H 1 1.028 0.009 . 1 . . . . 135 ILE HG23 . 16678 1 1581 . 1 1 135 135 ILE C C 13 178.166 0.021 . 1 . . . . 135 ILE C . 16678 1 1582 . 1 1 135 135 ILE CA C 13 65.074 0.192 . 1 . . . . 135 ILE CA . 16678 1 1583 . 1 1 135 135 ILE CB C 13 36.313 0.196 . 1 . . . . 135 ILE CB . 16678 1 1584 . 1 1 135 135 ILE CD1 C 13 12.154 0.116 . 1 . . . . 135 ILE CD1 . 16678 1 1585 . 1 1 135 135 ILE CG1 C 13 28.886 0.174 . 1 . . . . 135 ILE CG1 . 16678 1 1586 . 1 1 135 135 ILE CG2 C 13 17.632 0.047 . 1 . . . . 135 ILE CG2 . 16678 1 1587 . 1 1 135 135 ILE N N 15 119.427 0.060 . 1 . . . . 135 ILE N . 16678 1 1588 . 1 1 136 136 GLY H H 1 7.983 0.011 . 1 . . . . 136 GLY H . 16678 1 1589 . 1 1 136 136 GLY HA2 H 1 3.687 0.017 . 2 . . . . 136 GLY HA2 . 16678 1 1590 . 1 1 136 136 GLY HA3 H 1 3.965 0.022 . 2 . . . . 136 GLY HA3 . 16678 1 1591 . 1 1 136 136 GLY C C 13 174.145 0.014 . 1 . . . . 136 GLY C . 16678 1 1592 . 1 1 136 136 GLY CA C 13 47.915 0.160 . 1 . . . . 136 GLY CA . 16678 1 1593 . 1 1 136 136 GLY N N 15 105.014 0.091 . 1 . . . . 136 GLY N . 16678 1 1594 . 1 1 137 137 LEU H H 1 8.509 0.012 . 1 . . . . 137 LEU H . 16678 1 1595 . 1 1 137 137 LEU HA H 1 4.255 0.015 . 1 . . . . 137 LEU HA . 16678 1 1596 . 1 1 137 137 LEU HB2 H 1 1.564 0.008 . 2 . . . . 137 LEU HB2 . 16678 1 1597 . 1 1 137 137 LEU HB3 H 1 2.407 0.012 . 2 . . . . 137 LEU HB3 . 16678 1 1598 . 1 1 137 137 LEU HD11 H 1 1.206 0.018 . 2 . . . . 137 LEU HD11 . 16678 1 1599 . 1 1 137 137 LEU HD12 H 1 1.206 0.018 . 2 . . . . 137 LEU HD12 . 16678 1 1600 . 1 1 137 137 LEU HD13 H 1 1.206 0.018 . 2 . . . . 137 LEU HD13 . 16678 1 1601 . 1 1 137 137 LEU HD21 H 1 1.265 0.020 . 2 . . . . 137 LEU HD21 . 16678 1 1602 . 1 1 137 137 LEU HD22 H 1 1.265 0.020 . 2 . . . . 137 LEU HD22 . 16678 1 1603 . 1 1 137 137 LEU HD23 H 1 1.265 0.020 . 2 . . . . 137 LEU HD23 . 16678 1 1604 . 1 1 137 137 LEU HG H 1 1.631 0.013 . 1 . . . . 137 LEU HG . 16678 1 1605 . 1 1 137 137 LEU C C 13 178.226 0.044 . 1 . . . . 137 LEU C . 16678 1 1606 . 1 1 137 137 LEU CA C 13 58.704 0.133 . 1 . . . . 137 LEU CA . 16678 1 1607 . 1 1 137 137 LEU CB C 13 42.329 0.259 . 1 . . . . 137 LEU CB . 16678 1 1608 . 1 1 137 137 LEU CD1 C 13 24.387 0.087 . 2 . . . . 137 LEU CD1 . 16678 1 1609 . 1 1 137 137 LEU CD2 C 13 26.462 0.189 . 2 . . . . 137 LEU CD2 . 16678 1 1610 . 1 1 137 137 LEU CG C 13 26.405 0.104 . 1 . . . . 137 LEU CG . 16678 1 1611 . 1 1 137 137 LEU N N 15 123.866 0.083 . 1 . . . . 137 LEU N . 16678 1 1612 . 1 1 138 138 VAL H H 1 8.732 0.010 . 1 . . . . 138 VAL H . 16678 1 1613 . 1 1 138 138 VAL HA H 1 3.392 0.021 . 1 . . . . 138 VAL HA . 16678 1 1614 . 1 1 138 138 VAL HB H 1 2.080 0.017 . 1 . . . . 138 VAL HB . 16678 1 1615 . 1 1 138 138 VAL HG11 H 1 0.475 0.013 . 2 . . . . 138 VAL HG11 . 16678 1 1616 . 1 1 138 138 VAL HG12 H 1 0.475 0.013 . 2 . . . . 138 VAL HG12 . 16678 1 1617 . 1 1 138 138 VAL HG13 H 1 0.475 0.013 . 2 . . . . 138 VAL HG13 . 16678 1 1618 . 1 1 138 138 VAL HG21 H 1 0.927 0.024 . 2 . . . . 138 VAL HG21 . 16678 1 1619 . 1 1 138 138 VAL HG22 H 1 0.927 0.024 . 2 . . . . 138 VAL HG22 . 16678 1 1620 . 1 1 138 138 VAL HG23 H 1 0.927 0.024 . 2 . . . . 138 VAL HG23 . 16678 1 1621 . 1 1 138 138 VAL C C 13 177.869 0.001 . 1 . . . . 138 VAL C . 16678 1 1622 . 1 1 138 138 VAL CA C 13 67.352 0.073 . 1 . . . . 138 VAL CA . 16678 1 1623 . 1 1 138 138 VAL CB C 13 31.103 0.254 . 1 . . . . 138 VAL CB . 16678 1 1624 . 1 1 138 138 VAL CG1 C 13 23.171 0.124 . 2 . . . . 138 VAL CG1 . 16678 1 1625 . 1 1 138 138 VAL CG2 C 13 22.131 0.152 . 2 . . . . 138 VAL CG2 . 16678 1 1626 . 1 1 138 138 VAL N N 15 118.315 0.091 . 1 . . . . 138 VAL N . 16678 1 1627 . 1 1 139 139 TYR H H 1 8.586 0.015 . 1 . . . . 139 TYR H . 16678 1 1628 . 1 1 139 139 TYR HA H 1 4.109 0.013 . 1 . . . . 139 TYR HA . 16678 1 1629 . 1 1 139 139 TYR HB2 H 1 3.121 0.019 . 2 . . . . 139 TYR HB2 . 16678 1 1630 . 1 1 139 139 TYR HB3 H 1 3.613 0.016 . 2 . . . . 139 TYR HB3 . 16678 1 1631 . 1 1 139 139 TYR HD1 H 1 6.979 0.010 . 3 . . . . 139 TYR HD1 . 16678 1 1632 . 1 1 139 139 TYR HD2 H 1 6.979 0.010 . 3 . . . . 139 TYR HD2 . 16678 1 1633 . 1 1 139 139 TYR HE1 H 1 6.685 0.006 . 3 . . . . 139 TYR HE1 . 16678 1 1634 . 1 1 139 139 TYR HE2 H 1 6.685 0.006 . 3 . . . . 139 TYR HE2 . 16678 1 1635 . 1 1 139 139 TYR C C 13 177.362 0.024 . 1 . . . . 139 TYR C . 16678 1 1636 . 1 1 139 139 TYR CA C 13 61.798 0.105 . 1 . . . . 139 TYR CA . 16678 1 1637 . 1 1 139 139 TYR CB C 13 37.071 0.107 . 1 . . . . 139 TYR CB . 16678 1 1638 . 1 1 139 139 TYR CD1 C 13 132.919 0.029 . 3 . . . . 139 TYR CD1 . 16678 1 1639 . 1 1 139 139 TYR CD2 C 13 132.919 0.029 . 3 . . . . 139 TYR CD2 . 16678 1 1640 . 1 1 139 139 TYR CE1 C 13 117.371 0.029 . 3 . . . . 139 TYR CE1 . 16678 1 1641 . 1 1 139 139 TYR CE2 C 13 117.371 0.029 . 3 . . . . 139 TYR CE2 . 16678 1 1642 . 1 1 139 139 TYR N N 15 118.745 0.062 . 1 . . . . 139 TYR N . 16678 1 1643 . 1 1 140 140 TYR H H 1 8.321 0.016 . 1 . . . . 140 TYR H . 16678 1 1644 . 1 1 140 140 TYR HA H 1 3.644 0.022 . 1 . . . . 140 TYR HA . 16678 1 1645 . 1 1 140 140 TYR HB2 H 1 2.967 0.006 . 2 . . . . 140 TYR HB2 . 16678 1 1646 . 1 1 140 140 TYR HB3 H 1 3.333 0.023 . 2 . . . . 140 TYR HB3 . 16678 1 1647 . 1 1 140 140 TYR HD1 H 1 7.166 0.006 . 3 . . . . 140 TYR HD1 . 16678 1 1648 . 1 1 140 140 TYR HD2 H 1 7.166 0.006 . 3 . . . . 140 TYR HD2 . 16678 1 1649 . 1 1 140 140 TYR HE1 H 1 6.885 0.006 . 3 . . . . 140 TYR HE1 . 16678 1 1650 . 1 1 140 140 TYR HE2 H 1 6.885 0.006 . 3 . . . . 140 TYR HE2 . 16678 1 1651 . 1 1 140 140 TYR C C 13 178.439 0.032 . 1 . . . . 140 TYR C . 16678 1 1652 . 1 1 140 140 TYR CA C 13 64.243 0.080 . 1 . . . . 140 TYR CA . 16678 1 1653 . 1 1 140 140 TYR CB C 13 38.856 0.196 . 1 . . . . 140 TYR CB . 16678 1 1654 . 1 1 140 140 TYR CD1 C 13 131.986 0.027 . 3 . . . . 140 TYR CD1 . 16678 1 1655 . 1 1 140 140 TYR CD2 C 13 131.986 0.027 . 3 . . . . 140 TYR CD2 . 16678 1 1656 . 1 1 140 140 TYR CE1 C 13 117.964 0.185 . 3 . . . . 140 TYR CE1 . 16678 1 1657 . 1 1 140 140 TYR CE2 C 13 117.964 0.185 . 3 . . . . 140 TYR CE2 . 16678 1 1658 . 1 1 140 140 TYR N N 15 119.781 0.059 . 1 . . . . 140 TYR N . 16678 1 1659 . 1 1 141 141 LEU H H 1 8.459 0.013 . 1 . . . . 141 LEU H . 16678 1 1660 . 1 1 141 141 LEU HA H 1 4.544 0.006 . 1 . . . . 141 LEU HA . 16678 1 1661 . 1 1 141 141 LEU HB2 H 1 1.213 0.013 . 2 . . . . 141 LEU HB2 . 16678 1 1662 . 1 1 141 141 LEU HB3 H 1 2.102 0.026 . 2 . . . . 141 LEU HB3 . 16678 1 1663 . 1 1 141 141 LEU HD11 H 1 0.674 0.009 . 2 . . . . 141 LEU HD11 . 16678 1 1664 . 1 1 141 141 LEU HD12 H 1 0.674 0.009 . 2 . . . . 141 LEU HD12 . 16678 1 1665 . 1 1 141 141 LEU HD13 H 1 0.674 0.009 . 2 . . . . 141 LEU HD13 . 16678 1 1666 . 1 1 141 141 LEU HD21 H 1 1.025 0.026 . 2 . . . . 141 LEU HD21 . 16678 1 1667 . 1 1 141 141 LEU HD22 H 1 1.025 0.026 . 2 . . . . 141 LEU HD22 . 16678 1 1668 . 1 1 141 141 LEU HD23 H 1 1.025 0.026 . 2 . . . . 141 LEU HD23 . 16678 1 1669 . 1 1 141 141 LEU HG H 1 2.076 0.019 . 1 . . . . 141 LEU HG . 16678 1 1670 . 1 1 141 141 LEU C C 13 181.562 0.011 . 1 . . . . 141 LEU C . 16678 1 1671 . 1 1 141 141 LEU CA C 13 58.112 0.068 . 1 . . . . 141 LEU CA . 16678 1 1672 . 1 1 141 141 LEU CB C 13 42.907 0.343 . 1 . . . . 141 LEU CB . 16678 1 1673 . 1 1 141 141 LEU CD1 C 13 25.295 0.140 . 2 . . . . 141 LEU CD1 . 16678 1 1674 . 1 1 141 141 LEU CD2 C 13 24.174 0.171 . 2 . . . . 141 LEU CD2 . 16678 1 1675 . 1 1 141 141 LEU CG C 13 27.408 0.140 . 1 . . . . 141 LEU CG . 16678 1 1676 . 1 1 141 141 LEU N N 15 116.425 0.066 . 1 . . . . 141 LEU N . 16678 1 1677 . 1 1 142 142 VAL H H 1 8.654 0.010 . 1 . . . . 142 VAL H . 16678 1 1678 . 1 1 142 142 VAL HA H 1 4.276 0.018 . 1 . . . . 142 VAL HA . 16678 1 1679 . 1 1 142 142 VAL HB H 1 2.380 0.021 . 1 . . . . 142 VAL HB . 16678 1 1680 . 1 1 142 142 VAL HG11 H 1 1.039 0.016 . 2 . . . . 142 VAL HG11 . 16678 1 1681 . 1 1 142 142 VAL HG12 H 1 1.039 0.016 . 2 . . . . 142 VAL HG12 . 16678 1 1682 . 1 1 142 142 VAL HG13 H 1 1.039 0.016 . 2 . . . . 142 VAL HG13 . 16678 1 1683 . 1 1 142 142 VAL HG21 H 1 1.065 0.021 . 2 . . . . 142 VAL HG21 . 16678 1 1684 . 1 1 142 142 VAL HG22 H 1 1.065 0.021 . 2 . . . . 142 VAL HG22 . 16678 1 1685 . 1 1 142 142 VAL HG23 H 1 1.065 0.021 . 2 . . . . 142 VAL HG23 . 16678 1 1686 . 1 1 142 142 VAL C C 13 174.358 0.033 . 1 . . . . 142 VAL C . 16678 1 1687 . 1 1 142 142 VAL CA C 13 63.638 0.152 . 1 . . . . 142 VAL CA . 16678 1 1688 . 1 1 142 142 VAL CB C 13 31.922 0.395 . 1 . . . . 142 VAL CB . 16678 1 1689 . 1 1 142 142 VAL CG1 C 13 21.463 0.065 . 2 . . . . 142 VAL CG1 . 16678 1 1690 . 1 1 142 142 VAL CG2 C 13 21.016 0.146 . 2 . . . . 142 VAL CG2 . 16678 1 1691 . 1 1 142 142 VAL N N 15 114.953 0.066 . 1 . . . . 142 VAL N . 16678 1 1692 . 1 1 143 143 GLY H H 1 8.291 0.012 . 1 . . . . 143 GLY H . 16678 1 1693 . 1 1 143 143 GLY HA2 H 1 3.370 0.011 . 2 . . . . 143 GLY HA2 . 16678 1 1694 . 1 1 143 143 GLY HA3 H 1 3.595 0.017 . 2 . . . . 143 GLY HA3 . 16678 1 1695 . 1 1 143 143 GLY C C 13 177.498 0.000 . 1 . . . . 143 GLY C . 16678 1 1696 . 1 1 143 143 GLY CA C 13 43.275 0.000 . 1 . . . . 143 GLY CA . 16678 1 1697 . 1 1 143 143 GLY N N 15 110.755 0.082 . 1 . . . . 143 GLY N . 16678 1 1698 . 1 1 144 144 PRO C C 13 179.018 0.000 . 1 . . . . 144 PRO C . 16678 1 1699 . 1 1 144 144 PRO CA C 13 65.368 0.000 . 1 . . . . 144 PRO CA . 16678 1 1700 . 1 1 144 144 PRO CB C 13 32.119 0.000 . 1 . . . . 144 PRO CB . 16678 1 1701 . 1 1 145 145 MET H H 1 8.802 0.006 . 1 . . . . 145 MET H . 16678 1 1702 . 1 1 145 145 MET HA H 1 3.908 0.025 . 1 . . . . 145 MET HA . 16678 1 1703 . 1 1 145 145 MET HE1 H 1 2.142 0.013 . 1 . . . . 145 MET HE1 . 16678 1 1704 . 1 1 145 145 MET HE2 H 1 2.142 0.013 . 1 . . . . 145 MET HE2 . 16678 1 1705 . 1 1 145 145 MET HE3 H 1 2.142 0.013 . 1 . . . . 145 MET HE3 . 16678 1 1706 . 1 1 145 145 MET HG2 H 1 2.518 0.018 . 1 . . . . 145 MET HG2 . 16678 1 1707 . 1 1 145 145 MET HG3 H 1 2.518 0.018 . 1 . . . . 145 MET HG3 . 16678 1 1708 . 1 1 145 145 MET C C 13 178.649 0.006 . 1 . . . . 145 MET C . 16678 1 1709 . 1 1 145 145 MET CA C 13 60.555 0.258 . 1 . . . . 145 MET CA . 16678 1 1710 . 1 1 145 145 MET CB C 13 32.322 0.000 . 1 . . . . 145 MET CB . 16678 1 1711 . 1 1 145 145 MET CE C 13 15.758 0.083 . 1 . . . . 145 MET CE . 16678 1 1712 . 1 1 145 145 MET N N 15 113.737 0.055 . 1 . . . . 145 MET N . 16678 1 1713 . 1 1 146 146 THR H H 1 7.111 0.012 . 1 . . . . 146 THR H . 16678 1 1714 . 1 1 146 146 THR HA H 1 4.077 0.011 . 1 . . . . 146 THR HA . 16678 1 1715 . 1 1 146 146 THR HB H 1 4.454 0.020 . 1 . . . . 146 THR HB . 16678 1 1716 . 1 1 146 146 THR HG21 H 1 1.355 0.006 . 1 . . . . 146 THR HG21 . 16678 1 1717 . 1 1 146 146 THR HG22 H 1 1.355 0.006 . 1 . . . . 146 THR HG22 . 16678 1 1718 . 1 1 146 146 THR HG23 H 1 1.355 0.006 . 1 . . . . 146 THR HG23 . 16678 1 1719 . 1 1 146 146 THR C C 13 176.710 0.002 . 1 . . . . 146 THR C . 16678 1 1720 . 1 1 146 146 THR CA C 13 67.122 0.118 . 1 . . . . 146 THR CA . 16678 1 1721 . 1 1 146 146 THR CB C 13 69.042 0.059 . 1 . . . . 146 THR CB . 16678 1 1722 . 1 1 146 146 THR CG2 C 13 20.789 0.054 . 1 . . . . 146 THR CG2 . 16678 1 1723 . 1 1 146 146 THR N N 15 114.371 0.067 . 1 . . . . 146 THR N . 16678 1 1724 . 1 1 147 147 GLU H H 1 8.223 0.011 . 1 . . . . 147 GLU H . 16678 1 1725 . 1 1 147 147 GLU HA H 1 4.264 0.003 . 1 . . . . 147 GLU HA . 16678 1 1726 . 1 1 147 147 GLU HB2 H 1 2.158 0.013 . 1 . . . . 147 GLU HB2 . 16678 1 1727 . 1 1 147 147 GLU HB3 H 1 2.158 0.013 . 1 . . . . 147 GLU HB3 . 16678 1 1728 . 1 1 147 147 GLU HG2 H 1 2.338 0.003 . 1 . . . . 147 GLU HG2 . 16678 1 1729 . 1 1 147 147 GLU HG3 H 1 2.338 0.003 . 1 . . . . 147 GLU HG3 . 16678 1 1730 . 1 1 147 147 GLU C C 13 180.027 0.004 . 1 . . . . 147 GLU C . 16678 1 1731 . 1 1 147 147 GLU CA C 13 59.469 0.116 . 1 . . . . 147 GLU CA . 16678 1 1732 . 1 1 147 147 GLU CB C 13 28.457 0.243 . 1 . . . . 147 GLU CB . 16678 1 1733 . 1 1 147 147 GLU N N 15 123.672 0.101 . 1 . . . . 147 GLU N . 16678 1 1734 . 1 1 148 148 SER H H 1 8.082 0.011 . 1 . . . . 148 SER H . 16678 1 1735 . 1 1 148 148 SER HA H 1 4.262 0.001 . 1 . . . . 148 SER HA . 16678 1 1736 . 1 1 148 148 SER C C 13 178.067 0.002 . 1 . . . . 148 SER C . 16678 1 1737 . 1 1 148 148 SER CA C 13 62.269 0.071 . 1 . . . . 148 SER CA . 16678 1 1738 . 1 1 148 148 SER CB C 13 78.834 0.000 . 1 . . . . 148 SER CB . 16678 1 1739 . 1 1 148 148 SER N N 15 114.633 0.076 . 1 . . . . 148 SER N . 16678 1 1740 . 1 1 149 149 ALA H H 1 7.975 0.014 . 1 . . . . 149 ALA H . 16678 1 1741 . 1 1 149 149 ALA HA H 1 3.996 0.011 . 1 . . . . 149 ALA HA . 16678 1 1742 . 1 1 149 149 ALA HB1 H 1 1.094 0.010 . 1 . . . . 149 ALA HB1 . 16678 1 1743 . 1 1 149 149 ALA HB2 H 1 1.094 0.010 . 1 . . . . 149 ALA HB2 . 16678 1 1744 . 1 1 149 149 ALA HB3 H 1 1.094 0.010 . 1 . . . . 149 ALA HB3 . 16678 1 1745 . 1 1 149 149 ALA C C 13 179.170 0.004 . 1 . . . . 149 ALA C . 16678 1 1746 . 1 1 149 149 ALA CA C 13 55.001 0.131 . 1 . . . . 149 ALA CA . 16678 1 1747 . 1 1 149 149 ALA CB C 13 18.117 0.199 . 1 . . . . 149 ALA CB . 16678 1 1748 . 1 1 149 149 ALA N N 15 122.692 0.070 . 1 . . . . 149 ALA N . 16678 1 1749 . 1 1 150 150 SER H H 1 7.907 0.022 . 1 . . . . 150 SER H . 16678 1 1750 . 1 1 150 150 SER HA H 1 4.262 0.002 . 1 . . . . 150 SER HA . 16678 1 1751 . 1 1 150 150 SER C C 13 174.760 0.000 . 1 . . . . 150 SER C . 16678 1 1752 . 1 1 150 150 SER CA C 13 60.973 0.103 . 1 . . . . 150 SER CA . 16678 1 1753 . 1 1 150 150 SER CB C 13 62.726 0.023 . 1 . . . . 150 SER CB . 16678 1 1754 . 1 1 150 150 SER N N 15 109.484 0.058 . 1 . . . . 150 SER N . 16678 1 1755 . 1 1 151 151 GLN H H 1 7.564 0.012 . 1 . . . . 151 GLN H . 16678 1 1756 . 1 1 151 151 GLN HA H 1 4.559 0.007 . 1 . . . . 151 GLN HA . 16678 1 1757 . 1 1 151 151 GLN HE21 H 1 6.865 0.002 . 1 . . . . 151 GLN HE21 . 16678 1 1758 . 1 1 151 151 GLN HE22 H 1 7.422 0.001 . 1 . . . . 151 GLN HE22 . 16678 1 1759 . 1 1 151 151 GLN HG2 H 1 2.562 0.018 . 2 . . . . 151 GLN HG2 . 16678 1 1760 . 1 1 151 151 GLN HG3 H 1 2.624 0.016 . 2 . . . . 151 GLN HG3 . 16678 1 1761 . 1 1 151 151 GLN C C 13 176.779 0.016 . 1 . . . . 151 GLN C . 16678 1 1762 . 1 1 151 151 GLN CA C 13 55.381 0.047 . 1 . . . . 151 GLN CA . 16678 1 1763 . 1 1 151 151 GLN CB C 13 28.354 0.006 . 1 . . . . 151 GLN CB . 16678 1 1764 . 1 1 151 151 GLN N N 15 117.507 0.073 . 1 . . . . 151 GLN N . 16678 1 1765 . 1 1 151 151 GLN NE2 N 15 111.407 0.015 . 1 . . . . 151 GLN NE2 . 16678 1 1766 . 1 1 152 152 ARG H H 1 7.568 0.010 . 1 . . . . 152 ARG H . 16678 1 1767 . 1 1 152 152 ARG HA H 1 4.636 0.005 . 1 . . . . 152 ARG HA . 16678 1 1768 . 1 1 152 152 ARG HD2 H 1 3.228 0.004 . 2 . . . . 152 ARG HD2 . 16678 1 1769 . 1 1 152 152 ARG HD3 H 1 3.345 0.000 . 2 . . . . 152 ARG HD3 . 16678 1 1770 . 1 1 152 152 ARG C C 13 175.301 0.020 . 1 . . . . 152 ARG C . 16678 1 1771 . 1 1 152 152 ARG CA C 13 55.018 0.047 . 1 . . . . 152 ARG CA . 16678 1 1772 . 1 1 152 152 ARG CB C 13 30.027 0.042 . 1 . . . . 152 ARG CB . 16678 1 1773 . 1 1 152 152 ARG N N 15 118.060 0.126 . 1 . . . . 152 ARG N . 16678 1 1774 . 1 1 153 153 SER H H 1 8.006 0.007 . 1 . . . . 153 SER H . 16678 1 1775 . 1 1 153 153 SER C C 13 175.281 0.000 . 1 . . . . 153 SER C . 16678 1 1776 . 1 1 153 153 SER CA C 13 58.313 0.000 . 1 . . . . 153 SER CA . 16678 1 1777 . 1 1 153 153 SER CB C 13 63.843 0.000 . 1 . . . . 153 SER CB . 16678 1 1778 . 1 1 153 153 SER N N 15 112.484 0.026 . 1 . . . . 153 SER N . 16678 1 1779 . 1 1 154 154 SER H H 1 8.950 0.004 . 1 . . . . 154 SER H . 16678 1 1780 . 1 1 154 154 SER N N 15 116.430 0.000 . 1 . . . . 154 SER N . 16678 1 1781 . 1 1 155 155 GLY H H 1 9.059 0.016 . 1 . . . . 155 GLY H . 16678 1 1782 . 1 1 155 155 GLY C C 13 176.343 0.000 . 1 . . . . 155 GLY C . 16678 1 1783 . 1 1 155 155 GLY CA C 13 46.897 0.000 . 1 . . . . 155 GLY CA . 16678 1 1784 . 1 1 155 155 GLY N N 15 109.777 0.073 . 1 . . . . 155 GLY N . 16678 1 1785 . 1 1 156 156 ILE H H 1 7.588 0.011 . 1 . . . . 156 ILE H . 16678 1 1786 . 1 1 156 156 ILE HA H 1 3.871 0.020 . 1 . . . . 156 ILE HA . 16678 1 1787 . 1 1 156 156 ILE HB H 1 2.168 0.019 . 1 . . . . 156 ILE HB . 16678 1 1788 . 1 1 156 156 ILE HD11 H 1 0.964 0.016 . 1 . . . . 156 ILE HD11 . 16678 1 1789 . 1 1 156 156 ILE HD12 H 1 0.964 0.016 . 1 . . . . 156 ILE HD12 . 16678 1 1790 . 1 1 156 156 ILE HD13 H 1 0.964 0.016 . 1 . . . . 156 ILE HD13 . 16678 1 1791 . 1 1 156 156 ILE HG12 H 1 1.266 0.007 . 2 . . . . 156 ILE HG12 . 16678 1 1792 . 1 1 156 156 ILE HG13 H 1 1.721 0.015 . 2 . . . . 156 ILE HG13 . 16678 1 1793 . 1 1 156 156 ILE HG21 H 1 1.089 0.007 . 1 . . . . 156 ILE HG21 . 16678 1 1794 . 1 1 156 156 ILE HG22 H 1 1.089 0.007 . 1 . . . . 156 ILE HG22 . 16678 1 1795 . 1 1 156 156 ILE HG23 H 1 1.089 0.007 . 1 . . . . 156 ILE HG23 . 16678 1 1796 . 1 1 156 156 ILE C C 13 177.620 0.028 . 1 . . . . 156 ILE C . 16678 1 1797 . 1 1 156 156 ILE CA C 13 63.723 0.101 . 1 . . . . 156 ILE CA . 16678 1 1798 . 1 1 156 156 ILE CB C 13 36.324 0.295 . 1 . . . . 156 ILE CB . 16678 1 1799 . 1 1 156 156 ILE CD1 C 13 11.764 0.171 . 1 . . . . 156 ILE CD1 . 16678 1 1800 . 1 1 156 156 ILE CG1 C 13 28.981 0.084 . 1 . . . . 156 ILE CG1 . 16678 1 1801 . 1 1 156 156 ILE CG2 C 13 18.259 0.081 . 1 . . . . 156 ILE CG2 . 16678 1 1802 . 1 1 156 156 ILE N N 15 122.951 0.088 . 1 . . . . 156 ILE N . 16678 1 1803 . 1 1 157 157 LYS H H 1 8.618 0.008 . 1 . . . . 157 LYS H . 16678 1 1804 . 1 1 157 157 LYS C C 13 178.474 0.006 . 1 . . . . 157 LYS C . 16678 1 1805 . 1 1 157 157 LYS CA C 13 60.406 0.046 . 1 . . . . 157 LYS CA . 16678 1 1806 . 1 1 157 157 LYS CB C 13 30.956 0.037 . 1 . . . . 157 LYS CB . 16678 1 1807 . 1 1 157 157 LYS N N 15 120.543 0.057 . 1 . . . . 157 LYS N . 16678 1 1808 . 1 1 158 158 SER H H 1 8.312 0.006 . 1 . . . . 158 SER H . 16678 1 1809 . 1 1 158 158 SER HA H 1 4.281 0.022 . 1 . . . . 158 SER HA . 16678 1 1810 . 1 1 158 158 SER HB2 H 1 4.112 0.020 . 2 . . . . 158 SER HB2 . 16678 1 1811 . 1 1 158 158 SER HB3 H 1 4.146 0.027 . 2 . . . . 158 SER HB3 . 16678 1 1812 . 1 1 158 158 SER C C 13 177.076 0.000 . 1 . . . . 158 SER C . 16678 1 1813 . 1 1 158 158 SER CA C 13 61.603 0.105 . 1 . . . . 158 SER CA . 16678 1 1814 . 1 1 158 158 SER CB C 13 62.837 0.128 . 1 . . . . 158 SER CB . 16678 1 1815 . 1 1 158 158 SER N N 15 111.567 0.041 . 1 . . . . 158 SER N . 16678 1 1816 . 1 1 159 159 LEU H H 1 7.720 0.010 . 1 . . . . 159 LEU H . 16678 1 1817 . 1 1 159 159 LEU HA H 1 4.259 0.015 . 1 . . . . 159 LEU HA . 16678 1 1818 . 1 1 159 159 LEU HB2 H 1 1.688 0.016 . 2 . . . . 159 LEU HB2 . 16678 1 1819 . 1 1 159 159 LEU HB3 H 1 2.103 0.022 . 2 . . . . 159 LEU HB3 . 16678 1 1820 . 1 1 159 159 LEU HD11 H 1 1.001 0.020 . 1 . . . . 159 LEU HD11 . 16678 1 1821 . 1 1 159 159 LEU HD12 H 1 1.001 0.020 . 1 . . . . 159 LEU HD12 . 16678 1 1822 . 1 1 159 159 LEU HD13 H 1 1.001 0.020 . 1 . . . . 159 LEU HD13 . 16678 1 1823 . 1 1 159 159 LEU HG H 1 1.665 0.022 . 1 . . . . 159 LEU HG . 16678 1 1824 . 1 1 159 159 LEU C C 13 177.709 0.003 . 1 . . . . 159 LEU C . 16678 1 1825 . 1 1 159 159 LEU CA C 13 57.913 0.163 . 1 . . . . 159 LEU CA . 16678 1 1826 . 1 1 159 159 LEU CB C 13 40.869 0.327 . 1 . . . . 159 LEU CB . 16678 1 1827 . 1 1 159 159 LEU CD1 C 13 23.368 0.072 . 1 . . . . 159 LEU CD1 . 16678 1 1828 . 1 1 159 159 LEU CG C 13 26.234 0.011 . 1 . . . . 159 LEU CG . 16678 1 1829 . 1 1 159 159 LEU N N 15 122.468 0.057 . 1 . . . . 159 LEU N . 16678 1 1830 . 1 1 160 160 TYR H H 1 9.083 0.009 . 1 . . . . 160 TYR H . 16678 1 1831 . 1 1 160 160 TYR HA H 1 3.875 0.013 . 1 . . . . 160 TYR HA . 16678 1 1832 . 1 1 160 160 TYR HB2 H 1 3.031 0.012 . 2 . . . . 160 TYR HB2 . 16678 1 1833 . 1 1 160 160 TYR HB3 H 1 3.270 0.018 . 2 . . . . 160 TYR HB3 . 16678 1 1834 . 1 1 160 160 TYR HD1 H 1 7.051 0.029 . 3 . . . . 160 TYR HD1 . 16678 1 1835 . 1 1 160 160 TYR HD2 H 1 7.051 0.029 . 3 . . . . 160 TYR HD2 . 16678 1 1836 . 1 1 160 160 TYR C C 13 176.607 0.011 . 1 . . . . 160 TYR C . 16678 1 1837 . 1 1 160 160 TYR CA C 13 63.215 0.151 . 1 . . . . 160 TYR CA . 16678 1 1838 . 1 1 160 160 TYR CB C 13 37.528 0.236 . 1 . . . . 160 TYR CB . 16678 1 1839 . 1 1 160 160 TYR N N 15 117.815 0.057 . 1 . . . . 160 TYR N . 16678 1 1840 . 1 1 161 161 VAL H H 1 8.631 0.013 . 1 . . . . 161 VAL H . 16678 1 1841 . 1 1 161 161 VAL HA H 1 3.221 0.019 . 1 . . . . 161 VAL HA . 16678 1 1842 . 1 1 161 161 VAL HB H 1 2.289 0.008 . 1 . . . . 161 VAL HB . 16678 1 1843 . 1 1 161 161 VAL HG11 H 1 1.077 0.019 . 2 . . . . 161 VAL HG11 . 16678 1 1844 . 1 1 161 161 VAL HG12 H 1 1.077 0.019 . 2 . . . . 161 VAL HG12 . 16678 1 1845 . 1 1 161 161 VAL HG13 H 1 1.077 0.019 . 2 . . . . 161 VAL HG13 . 16678 1 1846 . 1 1 161 161 VAL HG21 H 1 1.297 0.009 . 2 . . . . 161 VAL HG21 . 16678 1 1847 . 1 1 161 161 VAL HG22 H 1 1.297 0.009 . 2 . . . . 161 VAL HG22 . 16678 1 1848 . 1 1 161 161 VAL HG23 H 1 1.297 0.009 . 2 . . . . 161 VAL HG23 . 16678 1 1849 . 1 1 161 161 VAL C C 13 177.486 0.000 . 1 . . . . 161 VAL C . 16678 1 1850 . 1 1 161 161 VAL CA C 13 67.817 0.142 . 1 . . . . 161 VAL CA . 16678 1 1851 . 1 1 161 161 VAL CB C 13 31.493 0.358 . 1 . . . . 161 VAL CB . 16678 1 1852 . 1 1 161 161 VAL CG1 C 13 21.501 0.056 . 2 . . . . 161 VAL CG1 . 16678 1 1853 . 1 1 161 161 VAL CG2 C 13 23.422 0.109 . 2 . . . . 161 VAL CG2 . 16678 1 1854 . 1 1 161 161 VAL N N 15 117.215 0.070 . 1 . . . . 161 VAL N . 16678 1 1855 . 1 1 162 162 ARG H H 1 7.735 0.009 . 1 . . . . 162 ARG H . 16678 1 1856 . 1 1 162 162 ARG HA H 1 4.144 0.010 . 1 . . . . 162 ARG HA . 16678 1 1857 . 1 1 162 162 ARG HB2 H 1 1.998 0.026 . 2 . . . . 162 ARG HB2 . 16678 1 1858 . 1 1 162 162 ARG HB3 H 1 2.067 0.021 . 2 . . . . 162 ARG HB3 . 16678 1 1859 . 1 1 162 162 ARG C C 13 179.292 0.028 . 1 . . . . 162 ARG C . 16678 1 1860 . 1 1 162 162 ARG CA C 13 59.921 0.022 . 1 . . . . 162 ARG CA . 16678 1 1861 . 1 1 162 162 ARG CB C 13 30.543 0.195 . 1 . . . . 162 ARG CB . 16678 1 1862 . 1 1 162 162 ARG N N 15 118.221 0.063 . 1 . . . . 162 ARG N . 16678 1 1863 . 1 1 163 163 LEU H H 1 8.192 0.007 . 1 . . . . 163 LEU H . 16678 1 1864 . 1 1 163 163 LEU HA H 1 4.120 0.018 . 1 . . . . 163 LEU HA . 16678 1 1865 . 1 1 163 163 LEU HB2 H 1 1.317 0.011 . 2 . . . . 163 LEU HB2 . 16678 1 1866 . 1 1 163 163 LEU HB3 H 1 1.680 0.024 . 2 . . . . 163 LEU HB3 . 16678 1 1867 . 1 1 163 163 LEU HD11 H 1 0.276 0.010 . 2 . . . . 163 LEU HD11 . 16678 1 1868 . 1 1 163 163 LEU HD12 H 1 0.276 0.010 . 2 . . . . 163 LEU HD12 . 16678 1 1869 . 1 1 163 163 LEU HD13 H 1 0.276 0.010 . 2 . . . . 163 LEU HD13 . 16678 1 1870 . 1 1 163 163 LEU HD21 H 1 0.522 0.010 . 2 . . . . 163 LEU HD21 . 16678 1 1871 . 1 1 163 163 LEU HD22 H 1 0.522 0.010 . 2 . . . . 163 LEU HD22 . 16678 1 1872 . 1 1 163 163 LEU HD23 H 1 0.522 0.010 . 2 . . . . 163 LEU HD23 . 16678 1 1873 . 1 1 163 163 LEU HG H 1 1.687 0.011 . 1 . . . . 163 LEU HG . 16678 1 1874 . 1 1 163 163 LEU C C 13 180.386 0.004 . 1 . . . . 163 LEU C . 16678 1 1875 . 1 1 163 163 LEU CA C 13 56.998 0.027 . 1 . . . . 163 LEU CA . 16678 1 1876 . 1 1 163 163 LEU CB C 13 41.238 0.219 . 1 . . . . 163 LEU CB . 16678 1 1877 . 1 1 163 163 LEU CD1 C 13 21.817 0.099 . 2 . . . . 163 LEU CD1 . 16678 1 1878 . 1 1 163 163 LEU CD2 C 13 25.815 0.165 . 2 . . . . 163 LEU CD2 . 16678 1 1879 . 1 1 163 163 LEU CG C 13 26.619 0.001 . 1 . . . . 163 LEU CG . 16678 1 1880 . 1 1 163 163 LEU N N 15 116.923 0.055 . 1 . . . . 163 LEU N . 16678 1 1881 . 1 1 164 164 ARG H H 1 9.575 0.013 . 1 . . . . 164 ARG H . 16678 1 1882 . 1 1 164 164 ARG HD2 H 1 3.218 0.012 . 2 . . . . 164 ARG HD2 . 16678 1 1883 . 1 1 164 164 ARG HD3 H 1 3.572 0.006 . 2 . . . . 164 ARG HD3 . 16678 1 1884 . 1 1 164 164 ARG C C 13 177.319 0.017 . 1 . . . . 164 ARG C . 16678 1 1885 . 1 1 164 164 ARG CA C 13 59.116 0.028 . 1 . . . . 164 ARG CA . 16678 1 1886 . 1 1 164 164 ARG CB C 13 29.323 0.016 . 1 . . . . 164 ARG CB . 16678 1 1887 . 1 1 164 164 ARG N N 15 123.908 0.066 . 1 . . . . 164 ARG N . 16678 1 1888 . 1 1 165 165 ASN H H 1 8.689 0.011 . 1 . . . . 165 ASN H . 16678 1 1889 . 1 1 165 165 ASN HA H 1 4.401 0.015 . 1 . . . . 165 ASN HA . 16678 1 1890 . 1 1 165 165 ASN HB2 H 1 2.737 0.011 . 2 . . . . 165 ASN HB2 . 16678 1 1891 . 1 1 165 165 ASN HB3 H 1 3.213 0.012 . 2 . . . . 165 ASN HB3 . 16678 1 1892 . 1 1 165 165 ASN HD21 H 1 7.189 0.011 . 1 . . . . 165 ASN HD21 . 16678 1 1893 . 1 1 165 165 ASN HD22 H 1 7.624 0.003 . 1 . . . . 165 ASN HD22 . 16678 1 1894 . 1 1 165 165 ASN C C 13 176.388 0.015 . 1 . . . . 165 ASN C . 16678 1 1895 . 1 1 165 165 ASN CA C 13 55.765 0.121 . 1 . . . . 165 ASN CA . 16678 1 1896 . 1 1 165 165 ASN CB C 13 36.646 0.235 . 1 . . . . 165 ASN CB . 16678 1 1897 . 1 1 165 165 ASN N N 15 118.654 0.085 . 1 . . . . 165 ASN N . 16678 1 1898 . 1 1 165 165 ASN ND2 N 15 108.776 0.082 . 1 . . . . 165 ASN ND2 . 16678 1 1899 . 1 1 166 166 LEU H H 1 7.548 0.019 . 1 . . . . 166 LEU H . 16678 1 1900 . 1 1 166 166 LEU HA H 1 4.047 0.025 . 1 . . . . 166 LEU HA . 16678 1 1901 . 1 1 166 166 LEU HD11 H 1 1.046 0.026 . 2 . . . . 166 LEU HD11 . 16678 1 1902 . 1 1 166 166 LEU HD12 H 1 1.046 0.026 . 2 . . . . 166 LEU HD12 . 16678 1 1903 . 1 1 166 166 LEU HD13 H 1 1.046 0.026 . 2 . . . . 166 LEU HD13 . 16678 1 1904 . 1 1 166 166 LEU HD21 H 1 1.199 0.015 . 2 . . . . 166 LEU HD21 . 16678 1 1905 . 1 1 166 166 LEU HD22 H 1 1.199 0.015 . 2 . . . . 166 LEU HD22 . 16678 1 1906 . 1 1 166 166 LEU HD23 H 1 1.199 0.015 . 2 . . . . 166 LEU HD23 . 16678 1 1907 . 1 1 166 166 LEU HG H 1 1.886 0.022 . 1 . . . . 166 LEU HG . 16678 1 1908 . 1 1 166 166 LEU C C 13 177.032 0.059 . 1 . . . . 166 LEU C . 16678 1 1909 . 1 1 166 166 LEU CA C 13 58.947 0.103 . 1 . . . . 166 LEU CA . 16678 1 1910 . 1 1 166 166 LEU CB C 13 42.478 0.016 . 1 . . . . 166 LEU CB . 16678 1 1911 . 1 1 166 166 LEU CD1 C 13 25.762 0.144 . 2 . . . . 166 LEU CD1 . 16678 1 1912 . 1 1 166 166 LEU CD2 C 13 26.106 0.088 . 2 . . . . 166 LEU CD2 . 16678 1 1913 . 1 1 166 166 LEU N N 15 118.021 0.115 . 1 . . . . 166 LEU N . 16678 1 1914 . 1 1 167 167 THR H H 1 7.859 0.016 . 1 . . . . 167 THR H . 16678 1 1915 . 1 1 167 167 THR HA H 1 3.796 0.012 . 1 . . . . 167 THR HA . 16678 1 1916 . 1 1 167 167 THR HB H 1 4.126 0.013 . 1 . . . . 167 THR HB . 16678 1 1917 . 1 1 167 167 THR HG21 H 1 -0.153 0.010 . 1 . . . . 167 THR HG21 . 16678 1 1918 . 1 1 167 167 THR HG22 H 1 -0.153 0.010 . 1 . . . . 167 THR HG22 . 16678 1 1919 . 1 1 167 167 THR HG23 H 1 -0.153 0.010 . 1 . . . . 167 THR HG23 . 16678 1 1920 . 1 1 167 167 THR C C 13 174.624 0.000 . 1 . . . . 167 THR C . 16678 1 1921 . 1 1 167 167 THR CA C 13 66.913 0.198 . 1 . . . . 167 THR CA . 16678 1 1922 . 1 1 167 167 THR CB C 13 68.667 0.139 . 1 . . . . 167 THR CB . 16678 1 1923 . 1 1 167 167 THR CG2 C 13 16.894 0.142 . 1 . . . . 167 THR CG2 . 16678 1 1924 . 1 1 167 167 THR N N 15 113.532 0.107 . 1 . . . . 167 THR N . 16678 1 1925 . 1 1 168 168 VAL H H 1 8.814 0.009 . 1 . . . . 168 VAL H . 16678 1 1926 . 1 1 168 168 VAL HA H 1 3.440 0.015 . 1 . . . . 168 VAL HA . 16678 1 1927 . 1 1 168 168 VAL HB H 1 2.126 0.010 . 1 . . . . 168 VAL HB . 16678 1 1928 . 1 1 168 168 VAL HG11 H 1 1.015 0.018 . 2 . . . . 168 VAL HG11 . 16678 1 1929 . 1 1 168 168 VAL HG12 H 1 1.015 0.018 . 2 . . . . 168 VAL HG12 . 16678 1 1930 . 1 1 168 168 VAL HG13 H 1 1.015 0.018 . 2 . . . . 168 VAL HG13 . 16678 1 1931 . 1 1 168 168 VAL HG21 H 1 1.058 0.017 . 2 . . . . 168 VAL HG21 . 16678 1 1932 . 1 1 168 168 VAL HG22 H 1 1.058 0.017 . 2 . . . . 168 VAL HG22 . 16678 1 1933 . 1 1 168 168 VAL HG23 H 1 1.058 0.017 . 2 . . . . 168 VAL HG23 . 16678 1 1934 . 1 1 168 168 VAL C C 13 176.300 0.000 . 1 . . . . 168 VAL C . 16678 1 1935 . 1 1 168 168 VAL CA C 13 67.998 0.178 . 1 . . . . 168 VAL CA . 16678 1 1936 . 1 1 168 168 VAL CB C 13 31.490 0.388 . 1 . . . . 168 VAL CB . 16678 1 1937 . 1 1 168 168 VAL CG1 C 13 22.261 0.085 . 2 . . . . 168 VAL CG1 . 16678 1 1938 . 1 1 168 168 VAL CG2 C 13 23.500 0.215 . 2 . . . . 168 VAL CG2 . 16678 1 1939 . 1 1 168 168 VAL N N 15 116.266 0.045 . 1 . . . . 168 VAL N . 16678 1 1940 . 1 1 169 169 VAL H H 1 7.498 0.012 . 1 . . . . 169 VAL H . 16678 1 1941 . 1 1 169 169 VAL HA H 1 3.801 0.010 . 1 . . . . 169 VAL HA . 16678 1 1942 . 1 1 169 169 VAL HB H 1 2.235 0.013 . 1 . . . . 169 VAL HB . 16678 1 1943 . 1 1 169 169 VAL HG11 H 1 1.080 0.011 . 2 . . . . 169 VAL HG11 . 16678 1 1944 . 1 1 169 169 VAL HG12 H 1 1.080 0.011 . 2 . . . . 169 VAL HG12 . 16678 1 1945 . 1 1 169 169 VAL HG13 H 1 1.080 0.011 . 2 . . . . 169 VAL HG13 . 16678 1 1946 . 1 1 169 169 VAL HG21 H 1 1.219 0.011 . 2 . . . . 169 VAL HG21 . 16678 1 1947 . 1 1 169 169 VAL HG22 H 1 1.219 0.011 . 2 . . . . 169 VAL HG22 . 16678 1 1948 . 1 1 169 169 VAL HG23 H 1 1.219 0.011 . 2 . . . . 169 VAL HG23 . 16678 1 1949 . 1 1 169 169 VAL C C 13 175.900 0.000 . 1 . . . . 169 VAL C . 16678 1 1950 . 1 1 169 169 VAL CA C 13 66.701 0.135 . 1 . . . . 169 VAL CA . 16678 1 1951 . 1 1 169 169 VAL CB C 13 31.344 0.245 . 1 . . . . 169 VAL CB . 16678 1 1952 . 1 1 169 169 VAL CG1 C 13 21.535 0.070 . 2 . . . . 169 VAL CG1 . 16678 1 1953 . 1 1 169 169 VAL CG2 C 13 23.478 0.097 . 2 . . . . 169 VAL CG2 . 16678 1 1954 . 1 1 169 169 VAL N N 15 111.904 0.046 . 1 . . . . 169 VAL N . 16678 1 1955 . 1 1 170 170 LEU H H 1 7.923 0.010 . 1 . . . . 170 LEU H . 16678 1 1956 . 1 1 170 170 LEU HA H 1 4.523 0.014 . 1 . . . . 170 LEU HA . 16678 1 1957 . 1 1 170 170 LEU HB2 H 1 2.481 0.021 . 1 . . . . 170 LEU HB2 . 16678 1 1958 . 1 1 170 170 LEU HD11 H 1 1.069 0.014 . 2 . . . . 170 LEU HD11 . 16678 1 1959 . 1 1 170 170 LEU HD12 H 1 1.069 0.014 . 2 . . . . 170 LEU HD12 . 16678 1 1960 . 1 1 170 170 LEU HD13 H 1 1.069 0.014 . 2 . . . . 170 LEU HD13 . 16678 1 1961 . 1 1 170 170 LEU HD21 H 1 1.165 0.019 . 2 . . . . 170 LEU HD21 . 16678 1 1962 . 1 1 170 170 LEU HD22 H 1 1.165 0.019 . 2 . . . . 170 LEU HD22 . 16678 1 1963 . 1 1 170 170 LEU HD23 H 1 1.165 0.019 . 2 . . . . 170 LEU HD23 . 16678 1 1964 . 1 1 170 170 LEU HG H 1 2.232 0.011 . 1 . . . . 170 LEU HG . 16678 1 1965 . 1 1 170 170 LEU C C 13 181.420 0.014 . 1 . . . . 170 LEU C . 16678 1 1966 . 1 1 170 170 LEU CA C 13 56.806 0.179 . 1 . . . . 170 LEU CA . 16678 1 1967 . 1 1 170 170 LEU CB C 13 40.561 0.312 . 1 . . . . 170 LEU CB . 16678 1 1968 . 1 1 170 170 LEU CD1 C 13 22.803 0.092 . 2 . . . . 170 LEU CD1 . 16678 1 1969 . 1 1 170 170 LEU CD2 C 13 26.770 0.071 . 2 . . . . 170 LEU CD2 . 16678 1 1970 . 1 1 170 170 LEU CG C 13 28.197 0.175 . 1 . . . . 170 LEU CG . 16678 1 1971 . 1 1 170 170 LEU N N 15 113.138 0.082 . 1 . . . . 170 LEU N . 16678 1 1972 . 1 1 171 171 TRP H H 1 9.872 0.010 . 1 . . . . 171 TRP H . 16678 1 1973 . 1 1 171 171 TRP HD1 H 1 7.521 0.011 . 1 . . . . 171 TRP HD1 . 16678 1 1974 . 1 1 171 171 TRP HE1 H 1 10.205 0.009 . 1 . . . . 171 TRP HE1 . 16678 1 1975 . 1 1 171 171 TRP HE3 H 1 7.485 0.017 . 1 . . . . 171 TRP HE3 . 16678 1 1976 . 1 1 171 171 TRP HH2 H 1 7.490 0.019 . 1 . . . . 171 TRP HH2 . 16678 1 1977 . 1 1 171 171 TRP HZ2 H 1 7.324 0.008 . 1 . . . . 171 TRP HZ2 . 16678 1 1978 . 1 1 171 171 TRP C C 13 178.214 0.006 . 1 . . . . 171 TRP C . 16678 1 1979 . 1 1 171 171 TRP CA C 13 61.057 0.043 . 1 . . . . 171 TRP CA . 16678 1 1980 . 1 1 171 171 TRP CB C 13 27.521 0.017 . 1 . . . . 171 TRP CB . 16678 1 1981 . 1 1 171 171 TRP CD1 C 13 125.172 0.144 . 1 . . . . 171 TRP CD1 . 16678 1 1982 . 1 1 171 171 TRP CE3 C 13 119.540 0.116 . 1 . . . . 171 TRP CE3 . 16678 1 1983 . 1 1 171 171 TRP CH2 C 13 125.084 0.091 . 1 . . . . 171 TRP CH2 . 16678 1 1984 . 1 1 171 171 TRP N N 15 118.564 0.071 . 1 . . . . 171 TRP N . 16678 1 1985 . 1 1 171 171 TRP NE1 N 15 127.495 0.046 . 1 . . . . 171 TRP NE1 . 16678 1 1986 . 1 1 172 172 ALA H H 1 7.744 0.011 . 1 . . . . 172 ALA H . 16678 1 1987 . 1 1 172 172 ALA HA H 1 4.208 0.007 . 1 . . . . 172 ALA HA . 16678 1 1988 . 1 1 172 172 ALA HB1 H 1 1.951 0.010 . 1 . . . . 172 ALA HB1 . 16678 1 1989 . 1 1 172 172 ALA HB2 H 1 1.951 0.010 . 1 . . . . 172 ALA HB2 . 16678 1 1990 . 1 1 172 172 ALA HB3 H 1 1.951 0.010 . 1 . . . . 172 ALA HB3 . 16678 1 1991 . 1 1 172 172 ALA C C 13 176.810 0.022 . 1 . . . . 172 ALA C . 16678 1 1992 . 1 1 172 172 ALA CA C 13 54.267 0.138 . 1 . . . . 172 ALA CA . 16678 1 1993 . 1 1 172 172 ALA CB C 13 18.142 0.183 . 1 . . . . 172 ALA CB . 16678 1 1994 . 1 1 172 172 ALA N N 15 115.525 0.064 . 1 . . . . 172 ALA N . 16678 1 1995 . 1 1 173 173 ILE H H 1 7.853 0.010 . 1 . . . . 173 ILE H . 16678 1 1996 . 1 1 173 173 ILE HA H 1 4.159 0.015 . 1 . . . . 173 ILE HA . 16678 1 1997 . 1 1 173 173 ILE HB H 1 2.287 0.016 . 1 . . . . 173 ILE HB . 16678 1 1998 . 1 1 173 173 ILE HD11 H 1 1.000 0.015 . 1 . . . . 173 ILE HD11 . 16678 1 1999 . 1 1 173 173 ILE HD12 H 1 1.000 0.015 . 1 . . . . 173 ILE HD12 . 16678 1 2000 . 1 1 173 173 ILE HD13 H 1 1.000 0.015 . 1 . . . . 173 ILE HD13 . 16678 1 2001 . 1 1 173 173 ILE HG12 H 1 1.376 0.018 . 2 . . . . 173 ILE HG12 . 16678 1 2002 . 1 1 173 173 ILE HG13 H 1 2.286 0.014 . 2 . . . . 173 ILE HG13 . 16678 1 2003 . 1 1 173 173 ILE HG21 H 1 1.001 0.012 . 1 . . . . 173 ILE HG21 . 16678 1 2004 . 1 1 173 173 ILE HG22 H 1 1.001 0.012 . 1 . . . . 173 ILE HG22 . 16678 1 2005 . 1 1 173 173 ILE HG23 H 1 1.001 0.012 . 1 . . . . 173 ILE HG23 . 16678 1 2006 . 1 1 173 173 ILE C C 13 179.572 0.000 . 1 . . . . 173 ILE C . 16678 1 2007 . 1 1 173 173 ILE CA C 13 63.684 0.118 . 1 . . . . 173 ILE CA . 16678 1 2008 . 1 1 173 173 ILE CB C 13 36.907 0.049 . 1 . . . . 173 ILE CB . 16678 1 2009 . 1 1 173 173 ILE CD1 C 13 12.518 0.106 . 1 . . . . 173 ILE CD1 . 16678 1 2010 . 1 1 173 173 ILE CG1 C 13 28.501 0.130 . 1 . . . . 173 ILE CG1 . 16678 1 2011 . 1 1 173 173 ILE CG2 C 13 18.197 0.114 . 1 . . . . 173 ILE CG2 . 16678 1 2012 . 1 1 173 173 ILE N N 15 113.198 0.108 . 1 . . . . 173 ILE N . 16678 1 2013 . 1 1 174 174 TYR H H 1 7.550 0.016 . 1 . . . . 174 TYR H . 16678 1 2014 . 1 1 174 174 TYR HA H 1 4.001 0.010 . 1 . . . . 174 TYR HA . 16678 1 2015 . 1 1 174 174 TYR HD1 H 1 7.112 0.012 . 3 . . . . 174 TYR HD1 . 16678 1 2016 . 1 1 174 174 TYR HD2 H 1 7.112 0.012 . 3 . . . . 174 TYR HD2 . 16678 1 2017 . 1 1 174 174 TYR HH H 1 9.978 0.011 . 1 . . . . 174 TYR HH . 16678 1 2018 . 1 1 174 174 TYR C C 13 177.332 0.000 . 1 . . . . 174 TYR C . 16678 1 2019 . 1 1 174 174 TYR CA C 13 64.899 0.097 . 1 . . . . 174 TYR CA . 16678 1 2020 . 1 1 174 174 TYR CD1 C 13 129.797 0.000 . 3 . . . . 174 TYR CD1 . 16678 1 2021 . 1 1 174 174 TYR CD2 C 13 129.797 0.000 . 3 . . . . 174 TYR CD2 . 16678 1 2022 . 1 1 174 174 TYR N N 15 118.115 0.145 . 1 . . . . 174 TYR N . 16678 1 2023 . 1 1 175 175 PRO C C 13 178.120 0.000 . 1 . . . . 175 PRO C . 16678 1 2024 . 1 1 175 175 PRO CA C 13 65.337 0.000 . 1 . . . . 175 PRO CA . 16678 1 2025 . 1 1 175 175 PRO CB C 13 29.323 0.000 . 1 . . . . 175 PRO CB . 16678 1 2026 . 1 1 176 176 PHE H H 1 7.552 0.014 . 1 . . . . 176 PHE H . 16678 1 2027 . 1 1 176 176 PHE HA H 1 4.402 0.015 . 1 . . . . 176 PHE HA . 16678 1 2028 . 1 1 176 176 PHE HB2 H 1 3.122 0.018 . 2 . . . . 176 PHE HB2 . 16678 1 2029 . 1 1 176 176 PHE HB3 H 1 3.507 0.018 . 2 . . . . 176 PHE HB3 . 16678 1 2030 . 1 1 176 176 PHE HD1 H 1 7.627 0.013 . 3 . . . . 176 PHE HD1 . 16678 1 2031 . 1 1 176 176 PHE HD2 H 1 7.627 0.013 . 3 . . . . 176 PHE HD2 . 16678 1 2032 . 1 1 176 176 PHE HE1 H 1 7.440 0.014 . 3 . . . . 176 PHE HE1 . 16678 1 2033 . 1 1 176 176 PHE HE2 H 1 7.440 0.014 . 3 . . . . 176 PHE HE2 . 16678 1 2034 . 1 1 176 176 PHE HZ H 1 7.279 0.001 . 1 . . . . 176 PHE HZ . 16678 1 2035 . 1 1 176 176 PHE C C 13 177.366 0.052 . 1 . . . . 176 PHE C . 16678 1 2036 . 1 1 176 176 PHE CA C 13 62.491 0.117 . 1 . . . . 176 PHE CA . 16678 1 2037 . 1 1 176 176 PHE CB C 13 38.658 0.165 . 1 . . . . 176 PHE CB . 16678 1 2038 . 1 1 176 176 PHE CD1 C 13 131.456 0.061 . 3 . . . . 176 PHE CD1 . 16678 1 2039 . 1 1 176 176 PHE CD2 C 13 131.456 0.061 . 3 . . . . 176 PHE CD2 . 16678 1 2040 . 1 1 176 176 PHE CE1 C 13 130.952 0.108 . 3 . . . . 176 PHE CE1 . 16678 1 2041 . 1 1 176 176 PHE CE2 C 13 130.952 0.108 . 3 . . . . 176 PHE CE2 . 16678 1 2042 . 1 1 176 176 PHE CZ C 13 128.758 0.004 . 1 . . . . 176 PHE CZ . 16678 1 2043 . 1 1 176 176 PHE N N 15 115.155 0.075 . 1 . . . . 176 PHE N . 16678 1 2044 . 1 1 177 177 ILE H H 1 7.892 0.012 . 1 . . . . 177 ILE H . 16678 1 2045 . 1 1 177 177 ILE HA H 1 3.830 0.010 . 1 . . . . 177 ILE HA . 16678 1 2046 . 1 1 177 177 ILE HB H 1 2.224 0.017 . 1 . . . . 177 ILE HB . 16678 1 2047 . 1 1 177 177 ILE HD11 H 1 0.765 0.014 . 1 . . . . 177 ILE HD11 . 16678 1 2048 . 1 1 177 177 ILE HD12 H 1 0.765 0.014 . 1 . . . . 177 ILE HD12 . 16678 1 2049 . 1 1 177 177 ILE HD13 H 1 0.765 0.014 . 1 . . . . 177 ILE HD13 . 16678 1 2050 . 1 1 177 177 ILE HG12 H 1 1.378 0.015 . 2 . . . . 177 ILE HG12 . 16678 1 2051 . 1 1 177 177 ILE HG13 H 1 1.610 0.016 . 2 . . . . 177 ILE HG13 . 16678 1 2052 . 1 1 177 177 ILE HG21 H 1 1.201 0.009 . 1 . . . . 177 ILE HG21 . 16678 1 2053 . 1 1 177 177 ILE HG22 H 1 1.201 0.009 . 1 . . . . 177 ILE HG22 . 16678 1 2054 . 1 1 177 177 ILE HG23 H 1 1.201 0.009 . 1 . . . . 177 ILE HG23 . 16678 1 2055 . 1 1 177 177 ILE C C 13 178.760 0.000 . 1 . . . . 177 ILE C . 16678 1 2056 . 1 1 177 177 ILE CA C 13 63.893 0.074 . 1 . . . . 177 ILE CA . 16678 1 2057 . 1 1 177 177 ILE CB C 13 36.675 0.232 . 1 . . . . 177 ILE CB . 16678 1 2058 . 1 1 177 177 ILE CD1 C 13 12.684 0.081 . 1 . . . . 177 ILE CD1 . 16678 1 2059 . 1 1 177 177 ILE CG1 C 13 28.479 0.140 . 1 . . . . 177 ILE CG1 . 16678 1 2060 . 1 1 177 177 ILE CG2 C 13 18.143 0.128 . 1 . . . . 177 ILE CG2 . 16678 1 2061 . 1 1 177 177 ILE N N 15 119.247 0.080 . 1 . . . . 177 ILE N . 16678 1 2062 . 1 1 178 178 TRP H H 1 8.198 0.010 . 1 . . . . 178 TRP H . 16678 1 2063 . 1 1 178 178 TRP HB2 H 1 3.519 0.008 . 1 . . . . 178 TRP HB2 . 16678 1 2064 . 1 1 178 178 TRP HB3 H 1 3.519 0.008 . 1 . . . . 178 TRP HB3 . 16678 1 2065 . 1 1 178 178 TRP HD1 H 1 7.639 0.015 . 1 . . . . 178 TRP HD1 . 16678 1 2066 . 1 1 178 178 TRP HE1 H 1 9.558 0.005 . 1 . . . . 178 TRP HE1 . 16678 1 2067 . 1 1 178 178 TRP HE3 H 1 6.873 0.012 . 1 . . . . 178 TRP HE3 . 16678 1 2068 . 1 1 178 178 TRP HH2 H 1 6.608 0.016 . 1 . . . . 178 TRP HH2 . 16678 1 2069 . 1 1 178 178 TRP HZ2 H 1 7.256 0.017 . 1 . . . . 178 TRP HZ2 . 16678 1 2070 . 1 1 178 178 TRP HZ3 H 1 6.499 0.021 . 1 . . . . 178 TRP HZ3 . 16678 1 2071 . 1 1 178 178 TRP C C 13 176.759 0.049 . 1 . . . . 178 TRP C . 16678 1 2072 . 1 1 178 178 TRP CA C 13 62.225 0.031 . 1 . . . . 178 TRP CA . 16678 1 2073 . 1 1 178 178 TRP CB C 13 31.335 0.296 . 1 . . . . 178 TRP CB . 16678 1 2074 . 1 1 178 178 TRP CD1 C 13 127.591 0.050 . 1 . . . . 178 TRP CD1 . 16678 1 2075 . 1 1 178 178 TRP CE3 C 13 122.815 0.082 . 1 . . . . 178 TRP CE3 . 16678 1 2076 . 1 1 178 178 TRP CH2 C 13 123.889 0.094 . 1 . . . . 178 TRP CH2 . 16678 1 2077 . 1 1 178 178 TRP CZ2 C 13 112.349 0.088 . 1 . . . . 178 TRP CZ2 . 16678 1 2078 . 1 1 178 178 TRP CZ3 C 13 120.358 0.134 . 1 . . . . 178 TRP CZ3 . 16678 1 2079 . 1 1 178 178 TRP N N 15 122.416 0.042 . 1 . . . . 178 TRP N . 16678 1 2080 . 1 1 178 178 TRP NE1 N 15 124.891 0.073 . 1 . . . . 178 TRP NE1 . 16678 1 2081 . 1 1 179 179 LEU H H 1 8.144 0.019 . 1 . . . . 179 LEU H . 16678 1 2082 . 1 1 179 179 LEU HA H 1 4.198 0.015 . 1 . . . . 179 LEU HA . 16678 1 2083 . 1 1 179 179 LEU HB2 H 1 1.791 0.013 . 2 . . . . 179 LEU HB2 . 16678 1 2084 . 1 1 179 179 LEU HB3 H 1 1.955 0.005 . 2 . . . . 179 LEU HB3 . 16678 1 2085 . 1 1 179 179 LEU HD11 H 1 0.877 0.012 . 2 . . . . 179 LEU HD11 . 16678 1 2086 . 1 1 179 179 LEU HD12 H 1 0.877 0.012 . 2 . . . . 179 LEU HD12 . 16678 1 2087 . 1 1 179 179 LEU HD13 H 1 0.877 0.012 . 2 . . . . 179 LEU HD13 . 16678 1 2088 . 1 1 179 179 LEU HD21 H 1 0.800 0.016 . 2 . . . . 179 LEU HD21 . 16678 1 2089 . 1 1 179 179 LEU HD22 H 1 0.800 0.016 . 2 . . . . 179 LEU HD22 . 16678 1 2090 . 1 1 179 179 LEU HD23 H 1 0.800 0.016 . 2 . . . . 179 LEU HD23 . 16678 1 2091 . 1 1 179 179 LEU HG H 1 1.820 0.016 . 1 . . . . 179 LEU HG . 16678 1 2092 . 1 1 179 179 LEU C C 13 178.257 0.004 . 1 . . . . 179 LEU C . 16678 1 2093 . 1 1 179 179 LEU CA C 13 57.969 0.067 . 1 . . . . 179 LEU CA . 16678 1 2094 . 1 1 179 179 LEU CB C 13 43.020 0.267 . 1 . . . . 179 LEU CB . 16678 1 2095 . 1 1 179 179 LEU CD1 C 13 24.289 0.120 . 2 . . . . 179 LEU CD1 . 16678 1 2096 . 1 1 179 179 LEU CD2 C 13 23.744 0.123 . 2 . . . . 179 LEU CD2 . 16678 1 2097 . 1 1 179 179 LEU CG C 13 26.480 0.012 . 1 . . . . 179 LEU CG . 16678 1 2098 . 1 1 179 179 LEU N N 15 112.947 0.044 . 1 . . . . 179 LEU N . 16678 1 2099 . 1 1 180 180 LEU H H 1 8.400 0.010 . 1 . . . . 180 LEU H . 16678 1 2100 . 1 1 180 180 LEU HA H 1 4.617 0.023 . 1 . . . . 180 LEU HA . 16678 1 2101 . 1 1 180 180 LEU HB2 H 1 1.827 0.014 . 2 . . . . 180 LEU HB2 . 16678 1 2102 . 1 1 180 180 LEU HB3 H 1 2.101 0.022 . 2 . . . . 180 LEU HB3 . 16678 1 2103 . 1 1 180 180 LEU HD11 H 1 1.020 0.017 . 2 . . . . 180 LEU HD11 . 16678 1 2104 . 1 1 180 180 LEU HD12 H 1 1.020 0.017 . 2 . . . . 180 LEU HD12 . 16678 1 2105 . 1 1 180 180 LEU HD13 H 1 1.020 0.017 . 2 . . . . 180 LEU HD13 . 16678 1 2106 . 1 1 180 180 LEU HD21 H 1 1.029 0.021 . 2 . . . . 180 LEU HD21 . 16678 1 2107 . 1 1 180 180 LEU HD22 H 1 1.029 0.021 . 2 . . . . 180 LEU HD22 . 16678 1 2108 . 1 1 180 180 LEU HD23 H 1 1.029 0.021 . 2 . . . . 180 LEU HD23 . 16678 1 2109 . 1 1 180 180 LEU HG H 1 2.183 0.017 . 1 . . . . 180 LEU HG . 16678 1 2110 . 1 1 180 180 LEU C C 13 177.779 0.022 . 1 . . . . 180 LEU C . 16678 1 2111 . 1 1 180 180 LEU CA C 13 55.617 0.213 . 1 . . . . 180 LEU CA . 16678 1 2112 . 1 1 180 180 LEU CB C 13 41.882 0.077 . 1 . . . . 180 LEU CB . 16678 1 2113 . 1 1 180 180 LEU CD1 C 13 25.410 0.052 . 2 . . . . 180 LEU CD1 . 16678 1 2114 . 1 1 180 180 LEU CD2 C 13 23.012 0.052 . 2 . . . . 180 LEU CD2 . 16678 1 2115 . 1 1 180 180 LEU CG C 13 27.190 0.166 . 1 . . . . 180 LEU CG . 16678 1 2116 . 1 1 180 180 LEU N N 15 112.811 0.050 . 1 . . . . 180 LEU N . 16678 1 2117 . 1 1 181 181 GLY H H 1 8.071 0.011 . 1 . . . . 181 GLY H . 16678 1 2118 . 1 1 181 181 GLY HA2 H 1 4.215 0.030 . 1 . . . . 181 GLY HA2 . 16678 1 2119 . 1 1 181 181 GLY HA3 H 1 4.215 0.030 . 1 . . . . 181 GLY HA3 . 16678 1 2120 . 1 1 181 181 GLY C C 13 177.752 0.000 . 1 . . . . 181 GLY C . 16678 1 2121 . 1 1 181 181 GLY CA C 13 43.907 0.000 . 1 . . . . 181 GLY CA . 16678 1 2122 . 1 1 181 181 GLY N N 15 109.770 0.045 . 1 . . . . 181 GLY N . 16678 1 2123 . 1 1 183 183 PRO C C 13 174.454 0.000 . 1 . . . . 183 PRO C . 16678 1 2124 . 1 1 183 183 PRO CA C 13 64.961 0.000 . 1 . . . . 183 PRO CA . 16678 1 2125 . 1 1 183 183 PRO CB C 13 28.771 0.000 . 1 . . . . 183 PRO CB . 16678 1 2126 . 1 1 184 184 GLY H H 1 7.181 0.008 . 1 . . . . 184 GLY H . 16678 1 2127 . 1 1 184 184 GLY HA2 H 1 4.121 0.015 . 2 . . . . 184 GLY HA2 . 16678 1 2128 . 1 1 184 184 GLY HA3 H 1 4.292 0.013 . 2 . . . . 184 GLY HA3 . 16678 1 2129 . 1 1 184 184 GLY C C 13 175.964 0.000 . 1 . . . . 184 GLY C . 16678 1 2130 . 1 1 184 184 GLY CA C 13 44.115 0.033 . 1 . . . . 184 GLY CA . 16678 1 2131 . 1 1 184 184 GLY N N 15 105.122 0.058 . 1 . . . . 184 GLY N . 16678 1 2132 . 1 1 185 185 VAL H H 1 9.129 0.010 . 1 . . . . 185 VAL H . 16678 1 2133 . 1 1 185 185 VAL HA H 1 4.300 0.007 . 1 . . . . 185 VAL HA . 16678 1 2134 . 1 1 185 185 VAL HB H 1 2.564 0.013 . 1 . . . . 185 VAL HB . 16678 1 2135 . 1 1 185 185 VAL HG11 H 1 1.242 0.021 . 2 . . . . 185 VAL HG11 . 16678 1 2136 . 1 1 185 185 VAL HG12 H 1 1.242 0.021 . 2 . . . . 185 VAL HG12 . 16678 1 2137 . 1 1 185 185 VAL HG13 H 1 1.242 0.021 . 2 . . . . 185 VAL HG13 . 16678 1 2138 . 1 1 185 185 VAL HG21 H 1 1.290 0.014 . 2 . . . . 185 VAL HG21 . 16678 1 2139 . 1 1 185 185 VAL HG22 H 1 1.290 0.014 . 2 . . . . 185 VAL HG22 . 16678 1 2140 . 1 1 185 185 VAL HG23 H 1 1.290 0.014 . 2 . . . . 185 VAL HG23 . 16678 1 2141 . 1 1 185 185 VAL C C 13 175.961 0.002 . 1 . . . . 185 VAL C . 16678 1 2142 . 1 1 185 185 VAL CA C 13 61.980 0.138 . 1 . . . . 185 VAL CA . 16678 1 2143 . 1 1 185 185 VAL CB C 13 31.764 0.269 . 1 . . . . 185 VAL CB . 16678 1 2144 . 1 1 185 185 VAL CG1 C 13 21.926 0.052 . 2 . . . . 185 VAL CG1 . 16678 1 2145 . 1 1 185 185 VAL CG2 C 13 20.263 0.093 . 2 . . . . 185 VAL CG2 . 16678 1 2146 . 1 1 185 185 VAL N N 15 119.708 0.094 . 1 . . . . 185 VAL N . 16678 1 2147 . 1 1 186 186 ALA H H 1 8.036 0.010 . 1 . . . . 186 ALA H . 16678 1 2148 . 1 1 186 186 ALA HA H 1 3.455 0.014 . 1 . . . . 186 ALA HA . 16678 1 2149 . 1 1 186 186 ALA HB1 H 1 1.502 0.005 . 1 . . . . 186 ALA HB1 . 16678 1 2150 . 1 1 186 186 ALA HB2 H 1 1.502 0.005 . 1 . . . . 186 ALA HB2 . 16678 1 2151 . 1 1 186 186 ALA HB3 H 1 1.502 0.005 . 1 . . . . 186 ALA HB3 . 16678 1 2152 . 1 1 186 186 ALA C C 13 176.494 0.000 . 1 . . . . 186 ALA C . 16678 1 2153 . 1 1 186 186 ALA CA C 13 53.428 0.129 . 1 . . . . 186 ALA CA . 16678 1 2154 . 1 1 186 186 ALA CB C 13 16.359 0.208 . 1 . . . . 186 ALA CB . 16678 1 2155 . 1 1 186 186 ALA N N 15 119.594 0.100 . 1 . . . . 186 ALA N . 16678 1 2156 . 1 1 187 187 LEU H H 1 8.031 0.014 . 1 . . . . 187 LEU H . 16678 1 2157 . 1 1 187 187 LEU HA H 1 4.470 0.010 . 1 . . . . 187 LEU HA . 16678 1 2158 . 1 1 187 187 LEU HB2 H 1 1.797 0.018 . 2 . . . . 187 LEU HB2 . 16678 1 2159 . 1 1 187 187 LEU HB3 H 1 1.821 0.020 . 2 . . . . 187 LEU HB3 . 16678 1 2160 . 1 1 187 187 LEU HD11 H 1 1.081 0.021 . 2 . . . . 187 LEU HD11 . 16678 1 2161 . 1 1 187 187 LEU HD12 H 1 1.081 0.021 . 2 . . . . 187 LEU HD12 . 16678 1 2162 . 1 1 187 187 LEU HD13 H 1 1.081 0.021 . 2 . . . . 187 LEU HD13 . 16678 1 2163 . 1 1 187 187 LEU HD21 H 1 1.096 0.019 . 2 . . . . 187 LEU HD21 . 16678 1 2164 . 1 1 187 187 LEU HD22 H 1 1.096 0.019 . 2 . . . . 187 LEU HD22 . 16678 1 2165 . 1 1 187 187 LEU HD23 H 1 1.096 0.019 . 2 . . . . 187 LEU HD23 . 16678 1 2166 . 1 1 187 187 LEU HG H 1 1.807 0.019 . 1 . . . . 187 LEU HG . 16678 1 2167 . 1 1 187 187 LEU C C 13 178.294 0.029 . 1 . . . . 187 LEU C . 16678 1 2168 . 1 1 187 187 LEU CA C 13 56.793 0.054 . 1 . . . . 187 LEU CA . 16678 1 2169 . 1 1 187 187 LEU CB C 13 43.254 0.303 . 1 . . . . 187 LEU CB . 16678 1 2170 . 1 1 187 187 LEU CD1 C 13 24.587 0.153 . 2 . . . . 187 LEU CD1 . 16678 1 2171 . 1 1 187 187 LEU CD2 C 13 25.066 0.066 . 2 . . . . 187 LEU CD2 . 16678 1 2172 . 1 1 187 187 LEU CG C 13 27.221 0.197 . 1 . . . . 187 LEU CG . 16678 1 2173 . 1 1 187 187 LEU N N 15 118.285 0.083 . 1 . . . . 187 LEU N . 16678 1 2174 . 1 1 188 188 LEU H H 1 8.029 0.013 . 1 . . . . 188 LEU H . 16678 1 2175 . 1 1 188 188 LEU HA H 1 4.791 0.012 . 1 . . . . 188 LEU HA . 16678 1 2176 . 1 1 188 188 LEU HD11 H 1 0.962 0.020 . 2 . . . . 188 LEU HD11 . 16678 1 2177 . 1 1 188 188 LEU HD12 H 1 0.962 0.020 . 2 . . . . 188 LEU HD12 . 16678 1 2178 . 1 1 188 188 LEU HD13 H 1 0.962 0.020 . 2 . . . . 188 LEU HD13 . 16678 1 2179 . 1 1 188 188 LEU HD21 H 1 1.015 0.024 . 2 . . . . 188 LEU HD21 . 16678 1 2180 . 1 1 188 188 LEU HD22 H 1 1.015 0.024 . 2 . . . . 188 LEU HD22 . 16678 1 2181 . 1 1 188 188 LEU HD23 H 1 1.015 0.024 . 2 . . . . 188 LEU HD23 . 16678 1 2182 . 1 1 188 188 LEU HG H 1 2.085 0.019 . 1 . . . . 188 LEU HG . 16678 1 2183 . 1 1 188 188 LEU C C 13 177.408 0.024 . 1 . . . . 188 LEU C . 16678 1 2184 . 1 1 188 188 LEU CA C 13 53.055 0.118 . 1 . . . . 188 LEU CA . 16678 1 2185 . 1 1 188 188 LEU CD1 C 13 22.363 0.088 . 2 . . . . 188 LEU CD1 . 16678 1 2186 . 1 1 188 188 LEU CD2 C 13 25.906 0.127 . 2 . . . . 188 LEU CD2 . 16678 1 2187 . 1 1 188 188 LEU CG C 13 26.002 0.002 . 1 . . . . 188 LEU CG . 16678 1 2188 . 1 1 188 188 LEU N N 15 114.861 0.076 . 1 . . . . 188 LEU N . 16678 1 2189 . 1 1 189 189 THR H H 1 7.809 0.013 . 1 . . . . 189 THR H . 16678 1 2190 . 1 1 189 189 THR HA H 1 4.704 0.003 . 1 . . . . 189 THR HA . 16678 1 2191 . 1 1 189 189 THR HB H 1 4.914 0.008 . 1 . . . . 189 THR HB . 16678 1 2192 . 1 1 189 189 THR HG21 H 1 1.618 0.013 . 1 . . . . 189 THR HG21 . 16678 1 2193 . 1 1 189 189 THR HG22 H 1 1.618 0.013 . 1 . . . . 189 THR HG22 . 16678 1 2194 . 1 1 189 189 THR HG23 H 1 1.618 0.013 . 1 . . . . 189 THR HG23 . 16678 1 2195 . 1 1 189 189 THR C C 13 173.704 0.000 . 1 . . . . 189 THR C . 16678 1 2196 . 1 1 189 189 THR CA C 13 59.995 0.035 . 1 . . . . 189 THR CA . 16678 1 2197 . 1 1 189 189 THR CB C 13 68.073 0.135 . 1 . . . . 189 THR CB . 16678 1 2198 . 1 1 189 189 THR CG2 C 13 22.676 0.156 . 1 . . . . 189 THR CG2 . 16678 1 2199 . 1 1 189 189 THR N N 15 112.462 0.084 . 1 . . . . 189 THR N . 16678 1 2200 . 1 1 190 190 PRO C C 13 177.746 0.000 . 1 . . . . 190 PRO C . 16678 1 2201 . 1 1 190 190 PRO CA C 13 65.874 0.000 . 1 . . . . 190 PRO CA . 16678 1 2202 . 1 1 190 190 PRO CB C 13 31.339 0.000 . 1 . . . . 190 PRO CB . 16678 1 2203 . 1 1 191 191 THR H H 1 7.794 0.018 . 1 . . . . 191 THR H . 16678 1 2204 . 1 1 191 191 THR HA H 1 3.784 0.013 . 1 . . . . 191 THR HA . 16678 1 2205 . 1 1 191 191 THR HB H 1 4.085 0.012 . 1 . . . . 191 THR HB . 16678 1 2206 . 1 1 191 191 THR HG21 H 1 1.272 0.012 . 1 . . . . 191 THR HG21 . 16678 1 2207 . 1 1 191 191 THR HG22 H 1 1.272 0.012 . 1 . . . . 191 THR HG22 . 16678 1 2208 . 1 1 191 191 THR HG23 H 1 1.272 0.012 . 1 . . . . 191 THR HG23 . 16678 1 2209 . 1 1 191 191 THR C C 13 175.270 0.000 . 1 . . . . 191 THR C . 16678 1 2210 . 1 1 191 191 THR CA C 13 66.517 0.086 . 1 . . . . 191 THR CA . 16678 1 2211 . 1 1 191 191 THR CB C 13 68.426 0.126 . 1 . . . . 191 THR CB . 16678 1 2212 . 1 1 191 191 THR CG2 C 13 22.382 0.266 . 1 . . . . 191 THR CG2 . 16678 1 2213 . 1 1 191 191 THR N N 15 108.285 0.065 . 1 . . . . 191 THR N . 16678 1 2214 . 1 1 192 192 VAL H H 1 7.259 0.012 . 1 . . . . 192 VAL H . 16678 1 2215 . 1 1 192 192 VAL HA H 1 3.605 0.009 . 1 . . . . 192 VAL HA . 16678 1 2216 . 1 1 192 192 VAL HB H 1 2.256 0.011 . 1 . . . . 192 VAL HB . 16678 1 2217 . 1 1 192 192 VAL HG11 H 1 1.143 0.014 . 2 . . . . 192 VAL HG11 . 16678 1 2218 . 1 1 192 192 VAL HG12 H 1 1.143 0.014 . 2 . . . . 192 VAL HG12 . 16678 1 2219 . 1 1 192 192 VAL HG13 H 1 1.143 0.014 . 2 . . . . 192 VAL HG13 . 16678 1 2220 . 1 1 192 192 VAL HG21 H 1 1.154 0.010 . 2 . . . . 192 VAL HG21 . 16678 1 2221 . 1 1 192 192 VAL HG22 H 1 1.154 0.010 . 2 . . . . 192 VAL HG22 . 16678 1 2222 . 1 1 192 192 VAL HG23 H 1 1.154 0.010 . 2 . . . . 192 VAL HG23 . 16678 1 2223 . 1 1 192 192 VAL C C 13 176.766 0.007 . 1 . . . . 192 VAL C . 16678 1 2224 . 1 1 192 192 VAL CA C 13 67.143 0.225 . 1 . . . . 192 VAL CA . 16678 1 2225 . 1 1 192 192 VAL CB C 13 30.966 0.184 . 1 . . . . 192 VAL CB . 16678 1 2226 . 1 1 192 192 VAL CG1 C 13 22.712 0.070 . 2 . . . . 192 VAL CG1 . 16678 1 2227 . 1 1 192 192 VAL CG2 C 13 24.026 0.075 . 2 . . . . 192 VAL CG2 . 16678 1 2228 . 1 1 192 192 VAL N N 15 120.779 0.051 . 1 . . . . 192 VAL N . 16678 1 2229 . 1 1 193 193 ASP H H 1 8.220 0.014 . 1 . . . . 193 ASP H . 16678 1 2230 . 1 1 193 193 ASP C C 13 176.624 0.004 . 1 . . . . 193 ASP C . 16678 1 2231 . 1 1 193 193 ASP CA C 13 58.246 0.015 . 1 . . . . 193 ASP CA . 16678 1 2232 . 1 1 193 193 ASP CB C 13 42.824 0.005 . 1 . . . . 193 ASP CB . 16678 1 2233 . 1 1 193 193 ASP N N 15 119.064 0.086 . 1 . . . . 193 ASP N . 16678 1 2234 . 1 1 194 194 VAL H H 1 8.153 0.018 . 1 . . . . 194 VAL H . 16678 1 2235 . 1 1 194 194 VAL HA H 1 3.326 0.011 . 1 . . . . 194 VAL HA . 16678 1 2236 . 1 1 194 194 VAL HB H 1 1.887 0.014 . 1 . . . . 194 VAL HB . 16678 1 2237 . 1 1 194 194 VAL HG11 H 1 0.430 0.014 . 2 . . . . 194 VAL HG11 . 16678 1 2238 . 1 1 194 194 VAL HG12 H 1 0.430 0.014 . 2 . . . . 194 VAL HG12 . 16678 1 2239 . 1 1 194 194 VAL HG13 H 1 0.430 0.014 . 2 . . . . 194 VAL HG13 . 16678 1 2240 . 1 1 194 194 VAL HG21 H 1 0.807 0.015 . 2 . . . . 194 VAL HG21 . 16678 1 2241 . 1 1 194 194 VAL HG22 H 1 0.807 0.015 . 2 . . . . 194 VAL HG22 . 16678 1 2242 . 1 1 194 194 VAL HG23 H 1 0.807 0.015 . 2 . . . . 194 VAL HG23 . 16678 1 2243 . 1 1 194 194 VAL C C 13 178.415 0.004 . 1 . . . . 194 VAL C . 16678 1 2244 . 1 1 194 194 VAL CA C 13 67.100 0.193 . 1 . . . . 194 VAL CA . 16678 1 2245 . 1 1 194 194 VAL CB C 13 31.027 0.244 . 1 . . . . 194 VAL CB . 16678 1 2246 . 1 1 194 194 VAL CG1 C 13 22.059 0.108 . 2 . . . . 194 VAL CG1 . 16678 1 2247 . 1 1 194 194 VAL CG2 C 13 25.203 0.095 . 2 . . . . 194 VAL CG2 . 16678 1 2248 . 1 1 194 194 VAL N N 15 114.395 0.078 . 1 . . . . 194 VAL N . 16678 1 2249 . 1 1 195 195 ALA H H 1 8.354 0.011 . 1 . . . . 195 ALA H . 16678 1 2250 . 1 1 195 195 ALA HA H 1 3.980 0.008 . 1 . . . . 195 ALA HA . 16678 1 2251 . 1 1 195 195 ALA HB1 H 1 1.543 0.008 . 1 . . . . 195 ALA HB1 . 16678 1 2252 . 1 1 195 195 ALA HB2 H 1 1.543 0.008 . 1 . . . . 195 ALA HB2 . 16678 1 2253 . 1 1 195 195 ALA HB3 H 1 1.543 0.008 . 1 . . . . 195 ALA HB3 . 16678 1 2254 . 1 1 195 195 ALA C C 13 178.446 0.000 . 1 . . . . 195 ALA C . 16678 1 2255 . 1 1 195 195 ALA CA C 13 55.635 0.120 . 1 . . . . 195 ALA CA . 16678 1 2256 . 1 1 195 195 ALA CB C 13 18.634 0.271 . 1 . . . . 195 ALA CB . 16678 1 2257 . 1 1 195 195 ALA N N 15 120.366 0.062 . 1 . . . . 195 ALA N . 16678 1 2258 . 1 1 196 196 LEU H H 1 8.520 0.012 . 1 . . . . 196 LEU H . 16678 1 2259 . 1 1 196 196 LEU HA H 1 4.091 0.013 . 1 . . . . 196 LEU HA . 16678 1 2260 . 1 1 196 196 LEU HB2 H 1 1.389 0.016 . 2 . . . . 196 LEU HB2 . 16678 1 2261 . 1 1 196 196 LEU HB3 H 1 2.111 0.011 . 2 . . . . 196 LEU HB3 . 16678 1 2262 . 1 1 196 196 LEU HD11 H 1 0.874 0.017 . 2 . . . . 196 LEU HD11 . 16678 1 2263 . 1 1 196 196 LEU HD12 H 1 0.874 0.017 . 2 . . . . 196 LEU HD12 . 16678 1 2264 . 1 1 196 196 LEU HD13 H 1 0.874 0.017 . 2 . . . . 196 LEU HD13 . 16678 1 2265 . 1 1 196 196 LEU HD21 H 1 0.928 0.020 . 2 . . . . 196 LEU HD21 . 16678 1 2266 . 1 1 196 196 LEU HD22 H 1 0.928 0.020 . 2 . . . . 196 LEU HD22 . 16678 1 2267 . 1 1 196 196 LEU HD23 H 1 0.928 0.020 . 2 . . . . 196 LEU HD23 . 16678 1 2268 . 1 1 196 196 LEU HG H 1 2.080 0.021 . 1 . . . . 196 LEU HG . 16678 1 2269 . 1 1 196 196 LEU C C 13 178.725 0.032 . 1 . . . . 196 LEU C . 16678 1 2270 . 1 1 196 196 LEU CA C 13 57.801 0.130 . 1 . . . . 196 LEU CA . 16678 1 2271 . 1 1 196 196 LEU CB C 13 41.876 0.170 . 1 . . . . 196 LEU CB . 16678 1 2272 . 1 1 196 196 LEU CD1 C 13 22.851 0.139 . 2 . . . . 196 LEU CD1 . 16678 1 2273 . 1 1 196 196 LEU CD2 C 13 26.555 0.112 . 2 . . . . 196 LEU CD2 . 16678 1 2274 . 1 1 196 196 LEU CG C 13 26.739 0.110 . 1 . . . . 196 LEU CG . 16678 1 2275 . 1 1 196 196 LEU N N 15 113.852 0.044 . 1 . . . . 196 LEU N . 16678 1 2276 . 1 1 197 197 ILE H H 1 8.062 0.013 . 1 . . . . 197 ILE H . 16678 1 2277 . 1 1 197 197 ILE HA H 1 3.872 0.017 . 1 . . . . 197 ILE HA . 16678 1 2278 . 1 1 197 197 ILE HB H 1 2.337 0.021 . 1 . . . . 197 ILE HB . 16678 1 2279 . 1 1 197 197 ILE HD11 H 1 1.087 0.013 . 1 . . . . 197 ILE HD11 . 16678 1 2280 . 1 1 197 197 ILE HD12 H 1 1.087 0.013 . 1 . . . . 197 ILE HD12 . 16678 1 2281 . 1 1 197 197 ILE HD13 H 1 1.087 0.013 . 1 . . . . 197 ILE HD13 . 16678 1 2282 . 1 1 197 197 ILE HG12 H 1 1.596 0.023 . 2 . . . . 197 ILE HG12 . 16678 1 2283 . 1 1 197 197 ILE HG13 H 1 1.782 0.012 . 2 . . . . 197 ILE HG13 . 16678 1 2284 . 1 1 197 197 ILE C C 13 177.569 0.031 . 1 . . . . 197 ILE C . 16678 1 2285 . 1 1 197 197 ILE CA C 13 63.692 0.089 . 1 . . . . 197 ILE CA . 16678 1 2286 . 1 1 197 197 ILE CB C 13 36.103 0.214 . 1 . . . . 197 ILE CB . 16678 1 2287 . 1 1 197 197 ILE CD1 C 13 11.943 0.086 . 1 . . . . 197 ILE CD1 . 16678 1 2288 . 1 1 197 197 ILE CG1 C 13 29.829 0.220 . 1 . . . . 197 ILE CG1 . 16678 1 2289 . 1 1 197 197 ILE N N 15 117.429 0.062 . 1 . . . . 197 ILE N . 16678 1 2290 . 1 1 198 198 VAL H H 1 8.748 0.008 . 1 . . . . 198 VAL H . 16678 1 2291 . 1 1 198 198 VAL HA H 1 4.178 0.014 . 1 . . . . 198 VAL HA . 16678 1 2292 . 1 1 198 198 VAL HB H 1 2.334 0.010 . 1 . . . . 198 VAL HB . 16678 1 2293 . 1 1 198 198 VAL HG11 H 1 0.903 0.013 . 2 . . . . 198 VAL HG11 . 16678 1 2294 . 1 1 198 198 VAL HG12 H 1 0.903 0.013 . 2 . . . . 198 VAL HG12 . 16678 1 2295 . 1 1 198 198 VAL HG13 H 1 0.903 0.013 . 2 . . . . 198 VAL HG13 . 16678 1 2296 . 1 1 198 198 VAL HG21 H 1 1.141 0.016 . 2 . . . . 198 VAL HG21 . 16678 1 2297 . 1 1 198 198 VAL HG22 H 1 1.141 0.016 . 2 . . . . 198 VAL HG22 . 16678 1 2298 . 1 1 198 198 VAL HG23 H 1 1.141 0.016 . 2 . . . . 198 VAL HG23 . 16678 1 2299 . 1 1 198 198 VAL C C 13 177.593 0.004 . 1 . . . . 198 VAL C . 16678 1 2300 . 1 1 198 198 VAL CA C 13 66.978 0.123 . 1 . . . . 198 VAL CA . 16678 1 2301 . 1 1 198 198 VAL CB C 13 30.875 0.399 . 1 . . . . 198 VAL CB . 16678 1 2302 . 1 1 198 198 VAL CG1 C 13 21.409 0.169 . 2 . . . . 198 VAL CG1 . 16678 1 2303 . 1 1 198 198 VAL CG2 C 13 24.203 0.084 . 2 . . . . 198 VAL CG2 . 16678 1 2304 . 1 1 198 198 VAL N N 15 121.404 0.049 . 1 . . . . 198 VAL N . 16678 1 2305 . 1 1 199 199 TYR H H 1 7.522 0.012 . 1 . . . . 199 TYR H . 16678 1 2306 . 1 1 199 199 TYR HA H 1 4.093 0.008 . 1 . . . . 199 TYR HA . 16678 1 2307 . 1 1 199 199 TYR HB2 H 1 3.071 0.009 . 2 . . . . 199 TYR HB2 . 16678 1 2308 . 1 1 199 199 TYR HB3 H 1 3.389 0.015 . 2 . . . . 199 TYR HB3 . 16678 1 2309 . 1 1 199 199 TYR HD1 H 1 6.999 0.007 . 3 . . . . 199 TYR HD1 . 16678 1 2310 . 1 1 199 199 TYR HD2 H 1 6.999 0.007 . 3 . . . . 199 TYR HD2 . 16678 1 2311 . 1 1 199 199 TYR HE1 H 1 6.690 0.004 . 3 . . . . 199 TYR HE1 . 16678 1 2312 . 1 1 199 199 TYR HE2 H 1 6.690 0.004 . 3 . . . . 199 TYR HE2 . 16678 1 2313 . 1 1 199 199 TYR C C 13 177.231 0.001 . 1 . . . . 199 TYR C . 16678 1 2314 . 1 1 199 199 TYR CA C 13 61.997 0.106 . 1 . . . . 199 TYR CA . 16678 1 2315 . 1 1 199 199 TYR CB C 13 38.492 0.204 . 1 . . . . 199 TYR CB . 16678 1 2316 . 1 1 199 199 TYR CD1 C 13 131.883 0.034 . 3 . . . . 199 TYR CD1 . 16678 1 2317 . 1 1 199 199 TYR CD2 C 13 131.883 0.034 . 3 . . . . 199 TYR CD2 . 16678 1 2318 . 1 1 199 199 TYR CE1 C 13 117.357 0.033 . 3 . . . . 199 TYR CE1 . 16678 1 2319 . 1 1 199 199 TYR CE2 C 13 117.357 0.033 . 3 . . . . 199 TYR CE2 . 16678 1 2320 . 1 1 199 199 TYR N N 15 117.725 0.107 . 1 . . . . 199 TYR N . 16678 1 2321 . 1 1 200 200 LEU H H 1 8.561 0.014 . 1 . . . . 200 LEU H . 16678 1 2322 . 1 1 200 200 LEU HA H 1 3.867 0.015 . 1 . . . . 200 LEU HA . 16678 1 2323 . 1 1 200 200 LEU HB2 H 1 1.501 0.021 . 2 . . . . 200 LEU HB2 . 16678 1 2324 . 1 1 200 200 LEU HB3 H 1 1.610 0.028 . 2 . . . . 200 LEU HB3 . 16678 1 2325 . 1 1 200 200 LEU HD11 H 1 0.279 0.008 . 2 . . . . 200 LEU HD11 . 16678 1 2326 . 1 1 200 200 LEU HD12 H 1 0.279 0.008 . 2 . . . . 200 LEU HD12 . 16678 1 2327 . 1 1 200 200 LEU HD13 H 1 0.279 0.008 . 2 . . . . 200 LEU HD13 . 16678 1 2328 . 1 1 200 200 LEU HD21 H 1 0.813 0.017 . 2 . . . . 200 LEU HD21 . 16678 1 2329 . 1 1 200 200 LEU HD22 H 1 0.813 0.017 . 2 . . . . 200 LEU HD22 . 16678 1 2330 . 1 1 200 200 LEU HD23 H 1 0.813 0.017 . 2 . . . . 200 LEU HD23 . 16678 1 2331 . 1 1 200 200 LEU HG H 1 1.851 0.016 . 1 . . . . 200 LEU HG . 16678 1 2332 . 1 1 200 200 LEU C C 13 179.564 0.010 . 1 . . . . 200 LEU C . 16678 1 2333 . 1 1 200 200 LEU CA C 13 58.537 0.137 . 1 . . . . 200 LEU CA . 16678 1 2334 . 1 1 200 200 LEU CB C 13 41.807 0.265 . 1 . . . . 200 LEU CB . 16678 1 2335 . 1 1 200 200 LEU CD1 C 13 24.726 0.096 . 2 . . . . 200 LEU CD1 . 16678 1 2336 . 1 1 200 200 LEU CD2 C 13 23.214 0.104 . 2 . . . . 200 LEU CD2 . 16678 1 2337 . 1 1 200 200 LEU CG C 13 26.523 0.095 . 1 . . . . 200 LEU CG . 16678 1 2338 . 1 1 200 200 LEU N N 15 117.297 0.054 . 1 . . . . 200 LEU N . 16678 1 2339 . 1 1 201 201 ASP H H 1 9.718 0.008 . 1 . . . . 201 ASP H . 16678 1 2340 . 1 1 201 201 ASP HA H 1 4.193 0.008 . 1 . . . . 201 ASP HA . 16678 1 2341 . 1 1 201 201 ASP HB2 H 1 2.634 0.015 . 2 . . . . 201 ASP HB2 . 16678 1 2342 . 1 1 201 201 ASP HB3 H 1 3.220 0.023 . 2 . . . . 201 ASP HB3 . 16678 1 2343 . 1 1 201 201 ASP C C 13 179.203 0.012 . 1 . . . . 201 ASP C . 16678 1 2344 . 1 1 201 201 ASP CA C 13 56.662 0.059 . 1 . . . . 201 ASP CA . 16678 1 2345 . 1 1 201 201 ASP CB C 13 39.476 0.153 . 1 . . . . 201 ASP CB . 16678 1 2346 . 1 1 201 201 ASP N N 15 120.354 0.049 . 1 . . . . 201 ASP N . 16678 1 2347 . 1 1 202 202 LEU H H 1 8.495 0.016 . 1 . . . . 202 LEU H . 16678 1 2348 . 1 1 202 202 LEU HA H 1 4.190 0.015 . 1 . . . . 202 LEU HA . 16678 1 2349 . 1 1 202 202 LEU HB2 H 1 2.169 0.025 . 2 . . . . 202 LEU HB2 . 16678 1 2350 . 1 1 202 202 LEU HB3 H 1 2.322 0.015 . 2 . . . . 202 LEU HB3 . 16678 1 2351 . 1 1 202 202 LEU HD11 H 1 1.019 0.015 . 2 . . . . 202 LEU HD11 . 16678 1 2352 . 1 1 202 202 LEU HD12 H 1 1.019 0.015 . 2 . . . . 202 LEU HD12 . 16678 1 2353 . 1 1 202 202 LEU HD13 H 1 1.019 0.015 . 2 . . . . 202 LEU HD13 . 16678 1 2354 . 1 1 202 202 LEU HD21 H 1 0.880 0.016 . 2 . . . . 202 LEU HD21 . 16678 1 2355 . 1 1 202 202 LEU HD22 H 1 0.880 0.016 . 2 . . . . 202 LEU HD22 . 16678 1 2356 . 1 1 202 202 LEU HD23 H 1 0.880 0.016 . 2 . . . . 202 LEU HD23 . 16678 1 2357 . 1 1 202 202 LEU HG H 1 2.156 0.020 . 1 . . . . 202 LEU HG . 16678 1 2358 . 1 1 202 202 LEU C C 13 180.542 0.006 . 1 . . . . 202 LEU C . 16678 1 2359 . 1 1 202 202 LEU CA C 13 58.706 0.070 . 1 . . . . 202 LEU CA . 16678 1 2360 . 1 1 202 202 LEU CB C 13 41.562 0.338 . 1 . . . . 202 LEU CB . 16678 1 2361 . 1 1 202 202 LEU CD1 C 13 23.132 0.074 . 2 . . . . 202 LEU CD1 . 16678 1 2362 . 1 1 202 202 LEU CD2 C 13 26.019 0.107 . 2 . . . . 202 LEU CD2 . 16678 1 2363 . 1 1 202 202 LEU CG C 13 27.395 0.135 . 1 . . . . 202 LEU CG . 16678 1 2364 . 1 1 202 202 LEU N N 15 118.505 0.077 . 1 . . . . 202 LEU N . 16678 1 2365 . 1 1 203 203 VAL H H 1 8.397 0.008 . 1 . . . . 203 VAL H . 16678 1 2366 . 1 1 203 203 VAL HA H 1 3.592 0.009 . 1 . . . . 203 VAL HA . 16678 1 2367 . 1 1 203 203 VAL HB H 1 2.291 0.012 . 1 . . . . 203 VAL HB . 16678 1 2368 . 1 1 203 203 VAL HG11 H 1 0.996 0.019 . 2 . . . . 203 VAL HG11 . 16678 1 2369 . 1 1 203 203 VAL HG12 H 1 0.996 0.019 . 2 . . . . 203 VAL HG12 . 16678 1 2370 . 1 1 203 203 VAL HG13 H 1 0.996 0.019 . 2 . . . . 203 VAL HG13 . 16678 1 2371 . 1 1 203 203 VAL HG21 H 1 1.045 0.029 . 2 . . . . 203 VAL HG21 . 16678 1 2372 . 1 1 203 203 VAL HG22 H 1 1.045 0.029 . 2 . . . . 203 VAL HG22 . 16678 1 2373 . 1 1 203 203 VAL HG23 H 1 1.045 0.029 . 2 . . . . 203 VAL HG23 . 16678 1 2374 . 1 1 203 203 VAL C C 13 177.571 0.000 . 1 . . . . 203 VAL C . 16678 1 2375 . 1 1 203 203 VAL CA C 13 68.142 0.351 . 1 . . . . 203 VAL CA . 16678 1 2376 . 1 1 203 203 VAL CB C 13 31.046 0.141 . 1 . . . . 203 VAL CB . 16678 1 2377 . 1 1 203 203 VAL CG1 C 13 22.622 0.080 . 2 . . . . 203 VAL CG1 . 16678 1 2378 . 1 1 203 203 VAL CG2 C 13 23.771 0.104 . 2 . . . . 203 VAL CG2 . 16678 1 2379 . 1 1 203 203 VAL N N 15 119.092 0.075 . 1 . . . . 203 VAL N . 16678 1 2380 . 1 1 204 204 THR H H 1 9.403 0.012 . 1 . . . . 204 THR H . 16678 1 2381 . 1 1 204 204 THR HA H 1 4.164 0.021 . 1 . . . . 204 THR HA . 16678 1 2382 . 1 1 204 204 THR HB H 1 4.658 0.015 . 1 . . . . 204 THR HB . 16678 1 2383 . 1 1 204 204 THR HG21 H 1 1.816 0.014 . 1 . . . . 204 THR HG21 . 16678 1 2384 . 1 1 204 204 THR HG22 H 1 1.816 0.014 . 1 . . . . 204 THR HG22 . 16678 1 2385 . 1 1 204 204 THR HG23 H 1 1.816 0.014 . 1 . . . . 204 THR HG23 . 16678 1 2386 . 1 1 204 204 THR CA C 13 65.281 0.180 . 1 . . . . 204 THR CA . 16678 1 2387 . 1 1 204 204 THR CB C 13 69.829 0.003 . 1 . . . . 204 THR CB . 16678 1 2388 . 1 1 204 204 THR CG2 C 13 24.785 0.089 . 1 . . . . 204 THR CG2 . 16678 1 2389 . 1 1 204 204 THR N N 15 110.038 0.100 . 1 . . . . 204 THR N . 16678 1 2390 . 1 1 205 205 LYR H H 1 7.714 0.010 . 1 . . . . 205 LYS H . 16678 1 2391 . 1 1 205 205 LYR C C 13 177.179 0.000 . 1 . . . . 205 LYS C . 16678 1 2392 . 1 1 205 205 LYR CA C 13 58.555 0.048 . 1 . . . . 205 LYS CA . 16678 1 2393 . 1 1 205 205 LYR CB C 13 34.879 0.167 . 1 . . . . 205 LYS CB . 16678 1 2394 . 1 1 205 205 LYR N N 15 113.491 0.081 . 1 . . . . 205 LYS N . 16678 1 2395 . 1 1 206 206 VAL H H 1 7.841 0.014 . 1 . . . . 206 VAL H . 16678 1 2396 . 1 1 206 206 VAL HA H 1 4.235 0.032 . 1 . . . . 206 VAL HA . 16678 1 2397 . 1 1 206 206 VAL HB H 1 2.630 0.012 . 1 . . . . 206 VAL HB . 16678 1 2398 . 1 1 206 206 VAL HG11 H 1 1.024 0.016 . 2 . . . . 206 VAL HG11 . 16678 1 2399 . 1 1 206 206 VAL HG12 H 1 1.024 0.016 . 2 . . . . 206 VAL HG12 . 16678 1 2400 . 1 1 206 206 VAL HG13 H 1 1.024 0.016 . 2 . . . . 206 VAL HG13 . 16678 1 2401 . 1 1 206 206 VAL HG21 H 1 1.417 0.015 . 2 . . . . 206 VAL HG21 . 16678 1 2402 . 1 1 206 206 VAL HG22 H 1 1.417 0.015 . 2 . . . . 206 VAL HG22 . 16678 1 2403 . 1 1 206 206 VAL HG23 H 1 1.417 0.015 . 2 . . . . 206 VAL HG23 . 16678 1 2404 . 1 1 206 206 VAL C C 13 178.675 0.000 . 1 . . . . 206 VAL C . 16678 1 2405 . 1 1 206 206 VAL CA C 13 66.457 0.220 . 1 . . . . 206 VAL CA . 16678 1 2406 . 1 1 206 206 VAL CB C 13 30.997 0.246 . 1 . . . . 206 VAL CB . 16678 1 2407 . 1 1 206 206 VAL CG1 C 13 22.476 0.071 . 2 . . . . 206 VAL CG1 . 16678 1 2408 . 1 1 206 206 VAL CG2 C 13 24.204 0.159 . 2 . . . . 206 VAL CG2 . 16678 1 2409 . 1 1 206 206 VAL N N 15 120.182 0.086 . 1 . . . . 206 VAL N . 16678 1 2410 . 1 1 207 207 GLY H H 1 9.129 0.009 . 1 . . . . 207 GLY H . 16678 1 2411 . 1 1 207 207 GLY HA2 H 1 3.565 0.022 . 2 . . . . 207 GLY HA2 . 16678 1 2412 . 1 1 207 207 GLY HA3 H 1 3.870 0.028 . 2 . . . . 207 GLY HA3 . 16678 1 2413 . 1 1 207 207 GLY C C 13 175.036 0.011 . 1 . . . . 207 GLY C . 16678 1 2414 . 1 1 207 207 GLY CA C 13 48.534 0.131 . 1 . . . . 207 GLY CA . 16678 1 2415 . 1 1 207 207 GLY N N 15 109.155 0.061 . 1 . . . . 207 GLY N . 16678 1 2416 . 1 1 208 208 PHE H H 1 7.499 0.015 . 1 . . . . 208 PHE H . 16678 1 2417 . 1 1 208 208 PHE HA H 1 3.871 0.026 . 1 . . . . 208 PHE HA . 16678 1 2418 . 1 1 208 208 PHE HB2 H 1 3.014 0.008 . 2 . . . . 208 PHE HB2 . 16678 1 2419 . 1 1 208 208 PHE HB3 H 1 3.253 0.010 . 2 . . . . 208 PHE HB3 . 16678 1 2420 . 1 1 208 208 PHE HD1 H 1 6.988 0.011 . 3 . . . . 208 PHE HD1 . 16678 1 2421 . 1 1 208 208 PHE HD2 H 1 6.988 0.011 . 3 . . . . 208 PHE HD2 . 16678 1 2422 . 1 1 208 208 PHE C C 13 176.213 0.005 . 1 . . . . 208 PHE C . 16678 1 2423 . 1 1 208 208 PHE CA C 13 60.825 0.180 . 1 . . . . 208 PHE CA . 16678 1 2424 . 1 1 208 208 PHE CB C 13 40.541 0.045 . 1 . . . . 208 PHE CB . 16678 1 2425 . 1 1 208 208 PHE N N 15 120.497 0.048 . 1 . . . . 208 PHE N . 16678 1 2426 . 1 1 209 209 GLY H H 1 8.068 0.011 . 1 . . . . 209 GLY H . 16678 1 2427 . 1 1 209 209 GLY C C 13 175.438 0.013 . 1 . . . . 209 GLY C . 16678 1 2428 . 1 1 209 209 GLY CA C 13 48.096 0.072 . 1 . . . . 209 GLY CA . 16678 1 2429 . 1 1 209 209 GLY N N 15 103.150 0.060 . 1 . . . . 209 GLY N . 16678 1 2430 . 1 1 210 210 PHE H H 1 9.169 0.011 . 1 . . . . 210 PHE H . 16678 1 2431 . 1 1 210 210 PHE HA H 1 4.597 0.018 . 1 . . . . 210 PHE HA . 16678 1 2432 . 1 1 210 210 PHE HB2 H 1 3.414 0.013 . 2 . . . . 210 PHE HB2 . 16678 1 2433 . 1 1 210 210 PHE HB3 H 1 3.535 0.013 . 2 . . . . 210 PHE HB3 . 16678 1 2434 . 1 1 210 210 PHE HD1 H 1 7.553 0.010 . 3 . . . . 210 PHE HD1 . 16678 1 2435 . 1 1 210 210 PHE HD2 H 1 7.553 0.010 . 3 . . . . 210 PHE HD2 . 16678 1 2436 . 1 1 210 210 PHE HE1 H 1 7.236 0.015 . 3 . . . . 210 PHE HE1 . 16678 1 2437 . 1 1 210 210 PHE HE2 H 1 7.236 0.015 . 3 . . . . 210 PHE HE2 . 16678 1 2438 . 1 1 210 210 PHE HZ H 1 7.085 0.009 . 1 . . . . 210 PHE HZ . 16678 1 2439 . 1 1 210 210 PHE C C 13 178.593 0.002 . 1 . . . . 210 PHE C . 16678 1 2440 . 1 1 210 210 PHE CA C 13 62.264 0.131 . 1 . . . . 210 PHE CA . 16678 1 2441 . 1 1 210 210 PHE CB C 13 38.357 0.207 . 1 . . . . 210 PHE CB . 16678 1 2442 . 1 1 210 210 PHE CD1 C 13 130.994 0.114 . 3 . . . . 210 PHE CD1 . 16678 1 2443 . 1 1 210 210 PHE CD2 C 13 130.994 0.114 . 3 . . . . 210 PHE CD2 . 16678 1 2444 . 1 1 210 210 PHE CE1 C 13 130.684 0.057 . 3 . . . . 210 PHE CE1 . 16678 1 2445 . 1 1 210 210 PHE CE2 C 13 130.684 0.057 . 3 . . . . 210 PHE CE2 . 16678 1 2446 . 1 1 210 210 PHE CZ C 13 128.677 0.181 . 1 . . . . 210 PHE CZ . 16678 1 2447 . 1 1 210 210 PHE N N 15 120.865 0.071 . 1 . . . . 210 PHE N . 16678 1 2448 . 1 1 211 211 ILE H H 1 8.484 0.012 . 1 . . . . 211 ILE H . 16678 1 2449 . 1 1 211 211 ILE HA H 1 3.837 0.014 . 1 . . . . 211 ILE HA . 16678 1 2450 . 1 1 211 211 ILE HB H 1 2.072 0.021 . 1 . . . . 211 ILE HB . 16678 1 2451 . 1 1 211 211 ILE HD11 H 1 0.920 0.021 . 1 . . . . 211 ILE HD11 . 16678 1 2452 . 1 1 211 211 ILE HD12 H 1 0.920 0.021 . 1 . . . . 211 ILE HD12 . 16678 1 2453 . 1 1 211 211 ILE HD13 H 1 0.920 0.021 . 1 . . . . 211 ILE HD13 . 16678 1 2454 . 1 1 211 211 ILE HG12 H 1 1.250 0.020 . 2 . . . . 211 ILE HG12 . 16678 1 2455 . 1 1 211 211 ILE HG13 H 1 1.984 0.023 . 2 . . . . 211 ILE HG13 . 16678 1 2456 . 1 1 211 211 ILE HG21 H 1 0.861 0.017 . 1 . . . . 211 ILE HG21 . 16678 1 2457 . 1 1 211 211 ILE HG22 H 1 0.861 0.017 . 1 . . . . 211 ILE HG22 . 16678 1 2458 . 1 1 211 211 ILE HG23 H 1 0.861 0.017 . 1 . . . . 211 ILE HG23 . 16678 1 2459 . 1 1 211 211 ILE C C 13 178.876 0.000 . 1 . . . . 211 ILE C . 16678 1 2460 . 1 1 211 211 ILE CA C 13 65.041 0.164 . 1 . . . . 211 ILE CA . 16678 1 2461 . 1 1 211 211 ILE CB C 13 36.783 0.252 . 1 . . . . 211 ILE CB . 16678 1 2462 . 1 1 211 211 ILE CD1 C 13 13.763 0.098 . 1 . . . . 211 ILE CD1 . 16678 1 2463 . 1 1 211 211 ILE CG1 C 13 29.263 0.199 . 1 . . . . 211 ILE CG1 . 16678 1 2464 . 1 1 211 211 ILE CG2 C 13 17.153 0.098 . 1 . . . . 211 ILE CG2 . 16678 1 2465 . 1 1 211 211 ILE N N 15 120.335 0.082 . 1 . . . . 211 ILE N . 16678 1 2466 . 1 1 212 212 ALA H H 1 7.829 0.015 . 1 . . . . 212 ALA H . 16678 1 2467 . 1 1 212 212 ALA HA H 1 4.145 0.020 . 1 . . . . 212 ALA HA . 16678 1 2468 . 1 1 212 212 ALA HB1 H 1 1.445 0.017 . 1 . . . . 212 ALA HB1 . 16678 1 2469 . 1 1 212 212 ALA HB2 H 1 1.445 0.017 . 1 . . . . 212 ALA HB2 . 16678 1 2470 . 1 1 212 212 ALA HB3 H 1 1.445 0.017 . 1 . . . . 212 ALA HB3 . 16678 1 2471 . 1 1 212 212 ALA C C 13 178.763 0.008 . 1 . . . . 212 ALA C . 16678 1 2472 . 1 1 212 212 ALA CA C 13 55.320 0.134 . 1 . . . . 212 ALA CA . 16678 1 2473 . 1 1 212 212 ALA CB C 13 17.555 0.221 . 1 . . . . 212 ALA CB . 16678 1 2474 . 1 1 212 212 ALA N N 15 121.330 0.079 . 1 . . . . 212 ALA N . 16678 1 2475 . 1 1 213 213 LEU H H 1 8.629 0.011 . 1 . . . . 213 LEU H . 16678 1 2476 . 1 1 213 213 LEU HA H 1 4.122 0.018 . 1 . . . . 213 LEU HA . 16678 1 2477 . 1 1 213 213 LEU HB2 H 1 1.849 0.013 . 2 . . . . 213 LEU HB2 . 16678 1 2478 . 1 1 213 213 LEU HB3 H 1 2.127 0.023 . 2 . . . . 213 LEU HB3 . 16678 1 2479 . 1 1 213 213 LEU HD11 H 1 1.092 0.017 . 2 . . . . 213 LEU HD11 . 16678 1 2480 . 1 1 213 213 LEU HD12 H 1 1.092 0.017 . 2 . . . . 213 LEU HD12 . 16678 1 2481 . 1 1 213 213 LEU HD13 H 1 1.092 0.017 . 2 . . . . 213 LEU HD13 . 16678 1 2482 . 1 1 213 213 LEU HD21 H 1 1.099 0.016 . 2 . . . . 213 LEU HD21 . 16678 1 2483 . 1 1 213 213 LEU HD22 H 1 1.099 0.016 . 2 . . . . 213 LEU HD22 . 16678 1 2484 . 1 1 213 213 LEU HD23 H 1 1.099 0.016 . 2 . . . . 213 LEU HD23 . 16678 1 2485 . 1 1 213 213 LEU HG H 1 2.162 0.023 . 1 . . . . 213 LEU HG . 16678 1 2486 . 1 1 213 213 LEU C C 13 180.442 0.008 . 1 . . . . 213 LEU C . 16678 1 2487 . 1 1 213 213 LEU CA C 13 58.050 0.088 . 1 . . . . 213 LEU CA . 16678 1 2488 . 1 1 213 213 LEU CB C 13 41.684 0.318 . 1 . . . . 213 LEU CB . 16678 1 2489 . 1 1 213 213 LEU CD1 C 13 23.935 0.111 . 2 . . . . 213 LEU CD1 . 16678 1 2490 . 1 1 213 213 LEU CD2 C 13 25.244 0.121 . 2 . . . . 213 LEU CD2 . 16678 1 2491 . 1 1 213 213 LEU CG C 13 27.389 0.122 . 1 . . . . 213 LEU CG . 16678 1 2492 . 1 1 213 213 LEU N N 15 116.380 0.088 . 1 . . . . 213 LEU N . 16678 1 2493 . 1 1 214 214 ASP H H 1 8.408 0.012 . 1 . . . . 214 ASP H . 16678 1 2494 . 1 1 214 214 ASP HA H 1 4.576 0.008 . 1 . . . . 214 ASP HA . 16678 1 2495 . 1 1 214 214 ASP HB2 H 1 2.831 0.008 . 1 . . . . 214 ASP HB2 . 16678 1 2496 . 1 1 214 214 ASP HB3 H 1 2.831 0.008 . 1 . . . . 214 ASP HB3 . 16678 1 2497 . 1 1 214 214 ASP C C 13 177.956 0.012 . 1 . . . . 214 ASP C . 16678 1 2498 . 1 1 214 214 ASP CA C 13 57.170 0.071 . 1 . . . . 214 ASP CA . 16678 1 2499 . 1 1 214 214 ASP CB C 13 41.922 0.082 . 1 . . . . 214 ASP CB . 16678 1 2500 . 1 1 214 214 ASP N N 15 119.949 0.099 . 1 . . . . 214 ASP N . 16678 1 2501 . 1 1 215 215 ALA H H 1 7.944 0.013 . 1 . . . . 215 ALA H . 16678 1 2502 . 1 1 215 215 ALA HA H 1 4.434 0.018 . 1 . . . . 215 ALA HA . 16678 1 2503 . 1 1 215 215 ALA HB1 H 1 1.672 0.016 . 1 . . . . 215 ALA HB1 . 16678 1 2504 . 1 1 215 215 ALA HB2 H 1 1.672 0.016 . 1 . . . . 215 ALA HB2 . 16678 1 2505 . 1 1 215 215 ALA HB3 H 1 1.672 0.016 . 1 . . . . 215 ALA HB3 . 16678 1 2506 . 1 1 215 215 ALA C C 13 179.769 0.009 . 1 . . . . 215 ALA C . 16678 1 2507 . 1 1 215 215 ALA CA C 13 53.704 0.160 . 1 . . . . 215 ALA CA . 16678 1 2508 . 1 1 215 215 ALA CB C 13 19.596 0.226 . 1 . . . . 215 ALA CB . 16678 1 2509 . 1 1 215 215 ALA N N 15 120.343 0.050 . 1 . . . . 215 ALA N . 16678 1 2510 . 1 1 216 216 ALA H H 1 8.250 0.012 . 1 . . . . 216 ALA H . 16678 1 2511 . 1 1 216 216 ALA HA H 1 4.073 0.012 . 1 . . . . 216 ALA HA . 16678 1 2512 . 1 1 216 216 ALA HB1 H 1 1.686 0.017 . 1 . . . . 216 ALA HB1 . 16678 1 2513 . 1 1 216 216 ALA HB2 H 1 1.686 0.017 . 1 . . . . 216 ALA HB2 . 16678 1 2514 . 1 1 216 216 ALA HB3 H 1 1.686 0.017 . 1 . . . . 216 ALA HB3 . 16678 1 2515 . 1 1 216 216 ALA C C 13 179.451 0.007 . 1 . . . . 216 ALA C . 16678 1 2516 . 1 1 216 216 ALA CA C 13 55.347 0.105 . 1 . . . . 216 ALA CA . 16678 1 2517 . 1 1 216 216 ALA CB C 13 18.181 0.194 . 1 . . . . 216 ALA CB . 16678 1 2518 . 1 1 216 216 ALA N N 15 120.234 0.070 . 1 . . . . 216 ALA N . 16678 1 2519 . 1 1 217 217 ALA H H 1 8.252 0.010 . 1 . . . . 217 ALA H . 16678 1 2520 . 1 1 217 217 ALA HA H 1 4.287 0.017 . 1 . . . . 217 ALA HA . 16678 1 2521 . 1 1 217 217 ALA HB1 H 1 1.720 0.008 . 1 . . . . 217 ALA HB1 . 16678 1 2522 . 1 1 217 217 ALA HB2 H 1 1.720 0.008 . 1 . . . . 217 ALA HB2 . 16678 1 2523 . 1 1 217 217 ALA HB3 H 1 1.720 0.008 . 1 . . . . 217 ALA HB3 . 16678 1 2524 . 1 1 217 217 ALA C C 13 180.668 0.002 . 1 . . . . 217 ALA C . 16678 1 2525 . 1 1 217 217 ALA CA C 13 54.922 0.061 . 1 . . . . 217 ALA CA . 16678 1 2526 . 1 1 217 217 ALA CB C 13 18.161 0.187 . 1 . . . . 217 ALA CB . 16678 1 2527 . 1 1 217 217 ALA N N 15 118.709 0.048 . 1 . . . . 217 ALA N . 16678 1 2528 . 1 1 218 218 THR H H 1 7.971 0.017 . 1 . . . . 218 THR H . 16678 1 2529 . 1 1 218 218 THR HA H 1 4.261 0.021 . 1 . . . . 218 THR HA . 16678 1 2530 . 1 1 218 218 THR HB H 1 4.452 0.005 . 1 . . . . 218 THR HB . 16678 1 2531 . 1 1 218 218 THR HG21 H 1 1.384 0.017 . 1 . . . . 218 THR HG21 . 16678 1 2532 . 1 1 218 218 THR HG22 H 1 1.384 0.017 . 1 . . . . 218 THR HG22 . 16678 1 2533 . 1 1 218 218 THR HG23 H 1 1.384 0.017 . 1 . . . . 218 THR HG23 . 16678 1 2534 . 1 1 218 218 THR C C 13 176.359 0.000 . 1 . . . . 218 THR C . 16678 1 2535 . 1 1 218 218 THR CA C 13 65.069 0.062 . 1 . . . . 218 THR CA . 16678 1 2536 . 1 1 218 218 THR CB C 13 68.888 0.147 . 1 . . . . 218 THR CB . 16678 1 2537 . 1 1 218 218 THR CG2 C 13 21.744 0.068 . 1 . . . . 218 THR CG2 . 16678 1 2538 . 1 1 218 218 THR N N 15 113.246 0.097 . 1 . . . . 218 THR N . 16678 1 2539 . 1 1 219 219 LEU H H 1 8.040 0.013 . 1 . . . . 219 LEU H . 16678 1 2540 . 1 1 219 219 LEU HA H 1 4.268 0.014 . 1 . . . . 219 LEU HA . 16678 1 2541 . 1 1 219 219 LEU HB2 H 1 1.645 0.018 . 2 . . . . 219 LEU HB2 . 16678 1 2542 . 1 1 219 219 LEU HB3 H 1 1.952 0.004 . 2 . . . . 219 LEU HB3 . 16678 1 2543 . 1 1 219 219 LEU HD11 H 1 0.833 0.017 . 2 . . . . 219 LEU HD11 . 16678 1 2544 . 1 1 219 219 LEU HD12 H 1 0.833 0.017 . 2 . . . . 219 LEU HD12 . 16678 1 2545 . 1 1 219 219 LEU HD13 H 1 0.833 0.017 . 2 . . . . 219 LEU HD13 . 16678 1 2546 . 1 1 219 219 LEU HD21 H 1 0.850 0.011 . 2 . . . . 219 LEU HD21 . 16678 1 2547 . 1 1 219 219 LEU HD22 H 1 0.850 0.011 . 2 . . . . 219 LEU HD22 . 16678 1 2548 . 1 1 219 219 LEU HD23 H 1 0.850 0.011 . 2 . . . . 219 LEU HD23 . 16678 1 2549 . 1 1 219 219 LEU HG H 1 1.853 0.014 . 1 . . . . 219 LEU HG . 16678 1 2550 . 1 1 219 219 LEU C C 13 178.849 0.002 . 1 . . . . 219 LEU C . 16678 1 2551 . 1 1 219 219 LEU CA C 13 57.067 0.126 . 1 . . . . 219 LEU CA . 16678 1 2552 . 1 1 219 219 LEU CB C 13 41.613 0.308 . 1 . . . . 219 LEU CB . 16678 1 2553 . 1 1 219 219 LEU CD1 C 13 23.026 0.129 . 2 . . . . 219 LEU CD1 . 16678 1 2554 . 1 1 219 219 LEU CD2 C 13 25.060 0.061 . 2 . . . . 219 LEU CD2 . 16678 1 2555 . 1 1 219 219 LEU CG C 13 26.744 0.109 . 1 . . . . 219 LEU CG . 16678 1 2556 . 1 1 219 219 LEU N N 15 121.273 0.049 . 1 . . . . 219 LEU N . 16678 1 2557 . 1 1 220 220 ARG H H 1 8.002 0.014 . 1 . . . . 220 ARG H . 16678 1 2558 . 1 1 220 220 ARG HA H 1 4.288 0.018 . 1 . . . . 220 ARG HA . 16678 1 2559 . 1 1 220 220 ARG HD2 H 1 3.404 0.006 . 1 . . . . 220 ARG HD2 . 16678 1 2560 . 1 1 220 220 ARG HD3 H 1 3.404 0.006 . 1 . . . . 220 ARG HD3 . 16678 1 2561 . 1 1 220 220 ARG C C 13 177.437 0.009 . 1 . . . . 220 ARG C . 16678 1 2562 . 1 1 220 220 ARG CA C 13 57.799 0.060 . 1 . . . . 220 ARG CA . 16678 1 2563 . 1 1 220 220 ARG CB C 13 29.902 0.017 . 1 . . . . 220 ARG CB . 16678 1 2564 . 1 1 220 220 ARG N N 15 117.680 0.084 . 1 . . . . 220 ARG N . 16678 1 2565 . 1 1 221 221 ALA H H 1 7.857 0.012 . 1 . . . . 221 ALA H . 16678 1 2566 . 1 1 221 221 ALA HA H 1 4.440 0.015 . 1 . . . . 221 ALA HA . 16678 1 2567 . 1 1 221 221 ALA HB1 H 1 1.642 0.005 . 1 . . . . 221 ALA HB1 . 16678 1 2568 . 1 1 221 221 ALA HB2 H 1 1.642 0.005 . 1 . . . . 221 ALA HB2 . 16678 1 2569 . 1 1 221 221 ALA HB3 H 1 1.642 0.005 . 1 . . . . 221 ALA HB3 . 16678 1 2570 . 1 1 221 221 ALA C C 13 178.680 0.002 . 1 . . . . 221 ALA C . 16678 1 2571 . 1 1 221 221 ALA CA C 13 53.228 0.120 . 1 . . . . 221 ALA CA . 16678 1 2572 . 1 1 221 221 ALA CB C 13 18.907 0.201 . 1 . . . . 221 ALA CB . 16678 1 2573 . 1 1 221 221 ALA N N 15 121.629 0.034 . 1 . . . . 221 ALA N . 16678 1 2574 . 1 1 222 222 GLU H H 1 8.117 0.009 . 1 . . . . 222 GLU H . 16678 1 2575 . 1 1 222 222 GLU HA H 1 4.382 0.028 . 1 . . . . 222 GLU HA . 16678 1 2576 . 1 1 222 222 GLU HB2 H 1 2.158 0.008 . 1 . . . . 222 GLU HB2 . 16678 1 2577 . 1 1 222 222 GLU HB3 H 1 2.158 0.008 . 1 . . . . 222 GLU HB3 . 16678 1 2578 . 1 1 222 222 GLU HG2 H 1 2.368 0.015 . 2 . . . . 222 GLU HG2 . 16678 1 2579 . 1 1 222 222 GLU HG3 H 1 2.474 0.015 . 2 . . . . 222 GLU HG3 . 16678 1 2580 . 1 1 222 222 GLU C C 13 177.028 0.021 . 1 . . . . 222 GLU C . 16678 1 2581 . 1 1 222 222 GLU CA C 13 57.161 0.070 . 1 . . . . 222 GLU CA . 16678 1 2582 . 1 1 222 222 GLU CB C 13 29.866 0.242 . 1 . . . . 222 GLU CB . 16678 1 2583 . 1 1 222 222 GLU N N 15 117.915 0.079 . 1 . . . . 222 GLU N . 16678 1 2584 . 1 1 223 223 HIS H H 1 8.291 0.005 . 1 . . . . 223 HIS H . 16678 1 2585 . 1 1 223 223 HIS HA H 1 4.901 0.005 . 1 . . . . 223 HIS HA . 16678 1 2586 . 1 1 223 223 HIS HB2 H 1 3.360 0.011 . 2 . . . . 223 HIS HB2 . 16678 1 2587 . 1 1 223 223 HIS HB3 H 1 3.530 0.007 . 2 . . . . 223 HIS HB3 . 16678 1 2588 . 1 1 223 223 HIS HD2 H 1 7.429 0.002 . 1 . . . . 223 HIS HD2 . 16678 1 2589 . 1 1 223 223 HIS C C 13 175.608 0.014 . 1 . . . . 223 HIS C . 16678 1 2590 . 1 1 223 223 HIS CA C 13 55.655 0.136 . 1 . . . . 223 HIS CA . 16678 1 2591 . 1 1 223 223 HIS CB C 13 29.368 0.164 . 1 . . . . 223 HIS CB . 16678 1 2592 . 1 1 223 223 HIS CD2 C 13 120.416 0.156 . 1 . . . . 223 HIS CD2 . 16678 1 2593 . 1 1 223 223 HIS N N 15 117.367 0.132 . 1 . . . . 223 HIS N . 16678 1 2594 . 1 1 224 224 GLY H H 1 8.369 0.006 . 1 . . . . 224 GLY H . 16678 1 2595 . 1 1 224 224 GLY HA2 H 1 4.165 0.013 . 1 . . . . 224 GLY HA2 . 16678 1 2596 . 1 1 224 224 GLY HA3 H 1 4.165 0.013 . 1 . . . . 224 GLY HA3 . 16678 1 2597 . 1 1 224 224 GLY C C 13 174.504 0.000 . 1 . . . . 224 GLY C . 16678 1 2598 . 1 1 224 224 GLY CA C 13 45.615 0.089 . 1 . . . . 224 GLY CA . 16678 1 2599 . 1 1 224 224 GLY N N 15 108.798 0.059 . 1 . . . . 224 GLY N . 16678 1 2600 . 1 1 225 225 GLU H H 1 8.445 0.010 . 1 . . . . 225 GLU H . 16678 1 2601 . 1 1 225 225 GLU HA H 1 4.525 0.008 . 1 . . . . 225 GLU HA . 16678 1 2602 . 1 1 225 225 GLU HB2 H 1 2.123 0.014 . 2 . . . . 225 GLU HB2 . 16678 1 2603 . 1 1 225 225 GLU HB3 H 1 2.251 0.006 . 2 . . . . 225 GLU HB3 . 16678 1 2604 . 1 1 225 225 GLU HG2 H 1 2.452 0.009 . 1 . . . . 225 GLU HG2 . 16678 1 2605 . 1 1 225 225 GLU HG3 H 1 2.452 0.009 . 1 . . . . 225 GLU HG3 . 16678 1 2606 . 1 1 225 225 GLU C C 13 176.778 0.012 . 1 . . . . 225 GLU C . 16678 1 2607 . 1 1 225 225 GLU CA C 13 56.539 0.003 . 1 . . . . 225 GLU CA . 16678 1 2608 . 1 1 225 225 GLU CB C 13 30.281 0.204 . 1 . . . . 225 GLU CB . 16678 1 2609 . 1 1 225 225 GLU N N 15 120.287 0.071 . 1 . . . . 225 GLU N . 16678 1 2610 . 1 1 226 226 SER H H 1 8.398 0.009 . 1 . . . . 226 SER H . 16678 1 2611 . 1 1 226 226 SER HB2 H 1 4.057 0.001 . 1 . . . . 226 SER HB2 . 16678 1 2612 . 1 1 226 226 SER HB3 H 1 4.057 0.001 . 1 . . . . 226 SER HB3 . 16678 1 2613 . 1 1 226 226 SER C C 13 174.892 0.000 . 1 . . . . 226 SER C . 16678 1 2614 . 1 1 226 226 SER CA C 13 58.163 0.021 . 1 . . . . 226 SER CA . 16678 1 2615 . 1 1 226 226 SER CB C 13 63.464 0.023 . 1 . . . . 226 SER CB . 16678 1 2616 . 1 1 226 226 SER N N 15 115.913 0.045 . 1 . . . . 226 SER N . 16678 1 2617 . 1 1 227 227 LEU H H 1 8.349 0.002 . 1 . . . . 227 LEU H . 16678 1 2618 . 1 1 227 227 LEU HA H 1 4.493 0.009 . 1 . . . . 227 LEU HA . 16678 1 2619 . 1 1 227 227 LEU HB2 H 1 1.754 0.021 . 2 . . . . 227 LEU HB2 . 16678 1 2620 . 1 1 227 227 LEU HB3 H 1 1.769 0.010 . 2 . . . . 227 LEU HB3 . 16678 1 2621 . 1 1 227 227 LEU HD11 H 1 1.007 0.016 . 2 . . . . 227 LEU HD11 . 16678 1 2622 . 1 1 227 227 LEU HD12 H 1 1.007 0.016 . 2 . . . . 227 LEU HD12 . 16678 1 2623 . 1 1 227 227 LEU HD13 H 1 1.007 0.016 . 2 . . . . 227 LEU HD13 . 16678 1 2624 . 1 1 227 227 LEU HD21 H 1 1.036 0.019 . 2 . . . . 227 LEU HD21 . 16678 1 2625 . 1 1 227 227 LEU HD22 H 1 1.036 0.019 . 2 . . . . 227 LEU HD22 . 16678 1 2626 . 1 1 227 227 LEU HD23 H 1 1.036 0.019 . 2 . . . . 227 LEU HD23 . 16678 1 2627 . 1 1 227 227 LEU HG H 1 1.777 0.013 . 1 . . . . 227 LEU HG . 16678 1 2628 . 1 1 227 227 LEU C C 13 177.169 0.016 . 1 . . . . 227 LEU C . 16678 1 2629 . 1 1 227 227 LEU CA C 13 55.125 0.027 . 1 . . . . 227 LEU CA . 16678 1 2630 . 1 1 227 227 LEU CB C 13 42.127 0.332 . 1 . . . . 227 LEU CB . 16678 1 2631 . 1 1 227 227 LEU CD1 C 13 23.454 0.092 . 2 . . . . 227 LEU CD1 . 16678 1 2632 . 1 1 227 227 LEU CD2 C 13 25.023 0.031 . 2 . . . . 227 LEU CD2 . 16678 1 2633 . 1 1 227 227 LEU CG C 13 26.923 0.066 . 1 . . . . 227 LEU CG . 16678 1 2634 . 1 1 227 227 LEU N N 15 123.667 0.045 . 1 . . . . 227 LEU N . 16678 1 2635 . 1 1 228 228 ALA H H 1 8.221 0.007 . 1 . . . . 228 ALA H . 16678 1 2636 . 1 1 228 228 ALA HA H 1 4.492 0.010 . 1 . . . . 228 ALA HA . 16678 1 2637 . 1 1 228 228 ALA HB1 H 1 1.550 0.009 . 1 . . . . 228 ALA HB1 . 16678 1 2638 . 1 1 228 228 ALA HB2 H 1 1.550 0.009 . 1 . . . . 228 ALA HB2 . 16678 1 2639 . 1 1 228 228 ALA HB3 H 1 1.550 0.009 . 1 . . . . 228 ALA HB3 . 16678 1 2640 . 1 1 228 228 ALA C C 13 178.329 0.003 . 1 . . . . 228 ALA C . 16678 1 2641 . 1 1 228 228 ALA CA C 13 52.491 0.057 . 1 . . . . 228 ALA CA . 16678 1 2642 . 1 1 228 228 ALA CB C 13 19.089 0.256 . 1 . . . . 228 ALA CB . 16678 1 2643 . 1 1 228 228 ALA N N 15 123.347 0.037 . 1 . . . . 228 ALA N . 16678 1 2644 . 1 1 229 229 GLY H H 1 8.337 0.008 . 1 . . . . 229 GLY H . 16678 1 2645 . 1 1 229 229 GLY HA2 H 1 4.125 0.015 . 1 . . . . 229 GLY HA2 . 16678 1 2646 . 1 1 229 229 GLY HA3 H 1 4.125 0.015 . 1 . . . . 229 GLY HA3 . 16678 1 2647 . 1 1 229 229 GLY C C 13 174.391 0.010 . 1 . . . . 229 GLY C . 16678 1 2648 . 1 1 229 229 GLY CA C 13 45.310 0.078 . 1 . . . . 229 GLY CA . 16678 1 2649 . 1 1 229 229 GLY N N 15 107.614 0.052 . 1 . . . . 229 GLY N . 16678 1 2650 . 1 1 230 230 VAL H H 1 7.945 0.012 . 1 . . . . 230 VAL H . 16678 1 2651 . 1 1 230 230 VAL HA H 1 4.350 0.011 . 1 . . . . 230 VAL HA . 16678 1 2652 . 1 1 230 230 VAL HB H 1 2.275 0.013 . 1 . . . . 230 VAL HB . 16678 1 2653 . 1 1 230 230 VAL HG11 H 1 1.077 0.012 . 2 . . . . 230 VAL HG11 . 16678 1 2654 . 1 1 230 230 VAL HG12 H 1 1.077 0.012 . 2 . . . . 230 VAL HG12 . 16678 1 2655 . 1 1 230 230 VAL HG13 H 1 1.077 0.012 . 2 . . . . 230 VAL HG13 . 16678 1 2656 . 1 1 230 230 VAL HG21 H 1 1.084 0.010 . 2 . . . . 230 VAL HG21 . 16678 1 2657 . 1 1 230 230 VAL HG22 H 1 1.084 0.010 . 2 . . . . 230 VAL HG22 . 16678 1 2658 . 1 1 230 230 VAL HG23 H 1 1.084 0.010 . 2 . . . . 230 VAL HG23 . 16678 1 2659 . 1 1 230 230 VAL C C 13 176.088 0.023 . 1 . . . . 230 VAL C . 16678 1 2660 . 1 1 230 230 VAL CA C 13 62.046 0.134 . 1 . . . . 230 VAL CA . 16678 1 2661 . 1 1 230 230 VAL CB C 13 32.583 0.223 . 1 . . . . 230 VAL CB . 16678 1 2662 . 1 1 230 230 VAL CG1 C 13 20.320 0.048 . 2 . . . . 230 VAL CG1 . 16678 1 2663 . 1 1 230 230 VAL CG2 C 13 21.321 0.050 . 2 . . . . 230 VAL CG2 . 16678 1 2664 . 1 1 230 230 VAL N N 15 117.926 0.120 . 1 . . . . 230 VAL N . 16678 1 2665 . 1 1 231 231 ASP H H 1 8.499 0.010 . 1 . . . . 231 ASP H . 16678 1 2666 . 1 1 231 231 ASP HA H 1 4.868 0.000 . 1 . . . . 231 ASP HA . 16678 1 2667 . 1 1 231 231 ASP HB2 H 1 2.813 0.000 . 2 . . . . 231 ASP HB2 . 16678 1 2668 . 1 1 231 231 ASP HB3 H 1 2.905 0.013 . 2 . . . . 231 ASP HB3 . 16678 1 2669 . 1 1 231 231 ASP C C 13 176.596 0.008 . 1 . . . . 231 ASP C . 16678 1 2670 . 1 1 231 231 ASP CA C 13 54.301 0.014 . 1 . . . . 231 ASP CA . 16678 1 2671 . 1 1 231 231 ASP CB C 13 40.835 0.031 . 1 . . . . 231 ASP CB . 16678 1 2672 . 1 1 231 231 ASP N N 15 122.934 0.020 . 1 . . . . 231 ASP N . 16678 1 2673 . 1 1 232 232 THR H H 1 8.123 0.009 . 1 . . . . 232 THR H . 16678 1 2674 . 1 1 232 232 THR HA H 1 4.494 0.005 . 1 . . . . 232 THR HA . 16678 1 2675 . 1 1 232 232 THR HB H 1 4.442 0.021 . 1 . . . . 232 THR HB . 16678 1 2676 . 1 1 232 232 THR HG21 H 1 1.352 0.020 . 1 . . . . 232 THR HG21 . 16678 1 2677 . 1 1 232 232 THR HG22 H 1 1.352 0.020 . 1 . . . . 232 THR HG22 . 16678 1 2678 . 1 1 232 232 THR HG23 H 1 1.352 0.020 . 1 . . . . 232 THR HG23 . 16678 1 2679 . 1 1 232 232 THR C C 13 174.576 0.025 . 1 . . . . 232 THR C . 16678 1 2680 . 1 1 232 232 THR CA C 13 61.771 0.120 . 1 . . . . 232 THR CA . 16678 1 2681 . 1 1 232 232 THR CB C 13 69.515 0.121 . 1 . . . . 232 THR CB . 16678 1 2682 . 1 1 232 232 THR CG2 C 13 21.366 0.081 . 1 . . . . 232 THR CG2 . 16678 1 2683 . 1 1 232 232 THR N N 15 113.061 0.089 . 1 . . . . 232 THR N . 16678 1 2684 . 1 1 233 233 ASP H H 1 8.443 0.004 . 1 . . . . 233 ASP H . 16678 1 2685 . 1 1 233 233 ASP HA H 1 4.856 0.009 . 1 . . . . 233 ASP HA . 16678 1 2686 . 1 1 233 233 ASP HB2 H 1 2.847 0.020 . 1 . . . . 233 ASP HB2 . 16678 1 2687 . 1 1 233 233 ASP HB3 H 1 2.847 0.020 . 1 . . . . 233 ASP HB3 . 16678 1 2688 . 1 1 233 233 ASP C C 13 176.231 0.021 . 1 . . . . 233 ASP C . 16678 1 2689 . 1 1 233 233 ASP CA C 13 54.388 0.077 . 1 . . . . 233 ASP CA . 16678 1 2690 . 1 1 233 233 ASP CB C 13 40.882 0.024 . 1 . . . . 233 ASP CB . 16678 1 2691 . 1 1 233 233 ASP N N 15 122.169 0.046 . 1 . . . . 233 ASP N . 16678 1 2692 . 1 1 234 234 THR H H 1 8.123 0.009 . 1 . . . . 234 THR H . 16678 1 2693 . 1 1 234 234 THR HA H 1 4.715 0.006 . 1 . . . . 234 THR HA . 16678 1 2694 . 1 1 234 234 THR HB H 1 4.284 0.017 . 1 . . . . 234 THR HB . 16678 1 2695 . 1 1 234 234 THR HG21 H 1 1.374 0.007 . 1 . . . . 234 THR HG21 . 16678 1 2696 . 1 1 234 234 THR HG22 H 1 1.374 0.007 . 1 . . . . 234 THR HG22 . 16678 1 2697 . 1 1 234 234 THR HG23 H 1 1.374 0.007 . 1 . . . . 234 THR HG23 . 16678 1 2698 . 1 1 234 234 THR C C 13 173.086 0.000 . 1 . . . . 234 THR C . 16678 1 2699 . 1 1 234 234 THR CA C 13 59.748 0.070 . 1 . . . . 234 THR CA . 16678 1 2700 . 1 1 234 234 THR CB C 13 69.717 0.092 . 1 . . . . 234 THR CB . 16678 1 2701 . 1 1 234 234 THR CG2 C 13 21.449 0.137 . 1 . . . . 234 THR CG2 . 16678 1 2702 . 1 1 234 234 THR N N 15 115.992 0.104 . 1 . . . . 234 THR N . 16678 1 2703 . 1 1 235 235 PRO C C 13 176.817 0.000 . 1 . . . . 235 PRO C . 16678 1 2704 . 1 1 235 235 PRO CA C 13 63.064 0.000 . 1 . . . . 235 PRO CA . 16678 1 2705 . 1 1 235 235 PRO CB C 13 31.441 0.000 . 1 . . . . 235 PRO CB . 16678 1 2706 . 1 1 236 236 ALA H H 1 8.362 0.010 . 1 . . . . 236 ALA H . 16678 1 2707 . 1 1 236 236 ALA HA H 1 4.475 0.008 . 1 . . . . 236 ALA HA . 16678 1 2708 . 1 1 236 236 ALA HB1 H 1 1.538 0.009 . 1 . . . . 236 ALA HB1 . 16678 1 2709 . 1 1 236 236 ALA HB2 H 1 1.538 0.009 . 1 . . . . 236 ALA HB2 . 16678 1 2710 . 1 1 236 236 ALA HB3 H 1 1.538 0.009 . 1 . . . . 236 ALA HB3 . 16678 1 2711 . 1 1 236 236 ALA C C 13 178.089 0.016 . 1 . . . . 236 ALA C . 16678 1 2712 . 1 1 236 236 ALA CA C 13 52.422 0.089 . 1 . . . . 236 ALA CA . 16678 1 2713 . 1 1 236 236 ALA CB C 13 18.899 0.266 . 1 . . . . 236 ALA CB . 16678 1 2714 . 1 1 236 236 ALA N N 15 123.683 0.082 . 1 . . . . 236 ALA N . 16678 1 2715 . 1 1 237 237 VAL H H 1 7.998 0.012 . 1 . . . . 237 VAL H . 16678 1 2716 . 1 1 237 237 VAL HA H 1 4.223 0.012 . 1 . . . . 237 VAL HA . 16678 1 2717 . 1 1 237 237 VAL HB H 1 2.230 0.012 . 1 . . . . 237 VAL HB . 16678 1 2718 . 1 1 237 237 VAL HG11 H 1 1.081 0.013 . 2 . . . . 237 VAL HG11 . 16678 1 2719 . 1 1 237 237 VAL HG12 H 1 1.081 0.013 . 2 . . . . 237 VAL HG12 . 16678 1 2720 . 1 1 237 237 VAL HG13 H 1 1.081 0.013 . 2 . . . . 237 VAL HG13 . 16678 1 2721 . 1 1 237 237 VAL HG21 H 1 1.089 0.014 . 2 . . . . 237 VAL HG21 . 16678 1 2722 . 1 1 237 237 VAL HG22 H 1 1.089 0.014 . 2 . . . . 237 VAL HG22 . 16678 1 2723 . 1 1 237 237 VAL HG23 H 1 1.089 0.014 . 2 . . . . 237 VAL HG23 . 16678 1 2724 . 1 1 237 237 VAL C C 13 176.240 0.025 . 1 . . . . 237 VAL C . 16678 1 2725 . 1 1 237 237 VAL CA C 13 62.272 0.115 . 1 . . . . 237 VAL CA . 16678 1 2726 . 1 1 237 237 VAL CB C 13 32.389 0.221 . 1 . . . . 237 VAL CB . 16678 1 2727 . 1 1 237 237 VAL CG1 C 13 20.479 0.005 . 2 . . . . 237 VAL CG1 . 16678 1 2728 . 1 1 237 237 VAL CG2 C 13 21.330 0.119 . 2 . . . . 237 VAL CG2 . 16678 1 2729 . 1 1 237 237 VAL N N 15 117.995 0.132 . 1 . . . . 237 VAL N . 16678 1 2730 . 1 1 238 238 ALA H H 1 8.300 0.011 . 1 . . . . 238 ALA H . 16678 1 2731 . 1 1 238 238 ALA HA H 1 4.469 0.015 . 1 . . . . 238 ALA HA . 16678 1 2732 . 1 1 238 238 ALA HB1 H 1 1.530 0.012 . 1 . . . . 238 ALA HB1 . 16678 1 2733 . 1 1 238 238 ALA HB2 H 1 1.530 0.012 . 1 . . . . 238 ALA HB2 . 16678 1 2734 . 1 1 238 238 ALA HB3 H 1 1.530 0.012 . 1 . . . . 238 ALA HB3 . 16678 1 2735 . 1 1 238 238 ALA C C 13 177.557 0.006 . 1 . . . . 238 ALA C . 16678 1 2736 . 1 1 238 238 ALA CA C 13 52.507 0.040 . 1 . . . . 238 ALA CA . 16678 1 2737 . 1 1 238 238 ALA CB C 13 19.044 0.284 . 1 . . . . 238 ALA CB . 16678 1 2738 . 1 1 238 238 ALA N N 15 125.981 0.056 . 1 . . . . 238 ALA N . 16678 1 2739 . 1 1 239 239 ASP H H 1 8.219 0.008 . 1 . . . . 239 ASP H . 16678 1 2740 . 1 1 239 239 ASP HB2 H 1 2.824 0.000 . 2 . . . . 239 ASP HB2 . 16678 1 2741 . 1 1 239 239 ASP HB3 H 1 2.910 0.003 . 2 . . . . 239 ASP HB3 . 16678 1 2742 . 1 1 239 239 ASP C C 13 176.629 0.001 . 1 . . . . 239 ASP C . 16678 1 2743 . 1 1 239 239 ASP CA C 13 54.140 0.015 . 1 . . . . 239 ASP CA . 16678 1 2744 . 1 1 239 239 ASP CB C 13 40.695 0.028 . 1 . . . . 239 ASP CB . 16678 1 2745 . 1 1 239 239 ASP N N 15 118.655 0.073 . 1 . . . . 239 ASP N . 16678 1 2746 . 1 1 240 240 LEU H H 1 8.167 0.005 . 1 . . . . 240 LEU H . 16678 1 2747 . 1 1 240 240 LEU HA H 1 4.336 0.011 . 1 . . . . 240 LEU HA . 16678 1 2748 . 1 1 240 240 LEU HB2 H 1 1.747 0.031 . 2 . . . . 240 LEU HB2 . 16678 1 2749 . 1 1 240 240 LEU HB3 H 1 1.781 0.009 . 2 . . . . 240 LEU HB3 . 16678 1 2750 . 1 1 240 240 LEU HD11 H 1 1.000 0.011 . 2 . . . . 240 LEU HD11 . 16678 1 2751 . 1 1 240 240 LEU HD12 H 1 1.000 0.011 . 2 . . . . 240 LEU HD12 . 16678 1 2752 . 1 1 240 240 LEU HD13 H 1 1.000 0.011 . 2 . . . . 240 LEU HD13 . 16678 1 2753 . 1 1 240 240 LEU HD21 H 1 1.052 0.019 . 2 . . . . 240 LEU HD21 . 16678 1 2754 . 1 1 240 240 LEU HD22 H 1 1.052 0.019 . 2 . . . . 240 LEU HD22 . 16678 1 2755 . 1 1 240 240 LEU HD23 H 1 1.052 0.019 . 2 . . . . 240 LEU HD23 . 16678 1 2756 . 1 1 240 240 LEU HG H 1 1.781 0.006 . 1 . . . . 240 LEU HG . 16678 1 2757 . 1 1 240 240 LEU C C 13 178.014 0.000 . 1 . . . . 240 LEU C . 16678 1 2758 . 1 1 240 240 LEU CA C 13 55.766 0.036 . 1 . . . . 240 LEU CA . 16678 1 2759 . 1 1 240 240 LEU CB C 13 42.114 0.315 . 1 . . . . 240 LEU CB . 16678 1 2760 . 1 1 240 240 LEU CD1 C 13 23.454 0.074 . 2 . . . . 240 LEU CD1 . 16678 1 2761 . 1 1 240 240 LEU CD2 C 13 25.013 0.023 . 2 . . . . 240 LEU CD2 . 16678 1 2762 . 1 1 240 240 LEU CG C 13 26.976 0.008 . 1 . . . . 240 LEU CG . 16678 1 2763 . 1 1 240 240 LEU N N 15 121.603 0.032 . 1 . . . . 240 LEU N . 16678 1 2764 . 1 1 241 241 GLU H H 1 8.284 0.004 . 1 . . . . 241 GLU H . 16678 1 2765 . 1 1 241 241 GLU HA H 1 4.336 0.015 . 1 . . . . 241 GLU HA . 16678 1 2766 . 1 1 241 241 GLU HB2 H 1 2.040 0.005 . 1 . . . . 241 GLU HB2 . 16678 1 2767 . 1 1 241 241 GLU HB3 H 1 2.040 0.005 . 1 . . . . 241 GLU HB3 . 16678 1 2768 . 1 1 241 241 GLU HG2 H 1 2.319 0.000 . 1 . . . . 241 GLU HG2 . 16678 1 2769 . 1 1 241 241 GLU HG3 H 1 2.319 0.000 . 1 . . . . 241 GLU HG3 . 16678 1 2770 . 1 1 241 241 GLU C C 13 176.745 0.000 . 1 . . . . 241 GLU C . 16678 1 2771 . 1 1 241 241 GLU CA C 13 56.773 0.000 . 1 . . . . 241 GLU CA . 16678 1 2772 . 1 1 241 241 GLU CB C 13 29.436 0.000 . 1 . . . . 241 GLU CB . 16678 1 2773 . 1 1 241 241 GLU N N 15 118.823 0.172 . 1 . . . . 241 GLU N . 16678 1 stop_ save_