data_18296 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of BRD1 PHD2 finger ; _BMRB_accession_number 18296 _BMRB_flat_file_name bmr18296.str _Entry_type original _Submission_date 2012-02-25 _Accession_date 2012-02-25 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu Lei . . 2 Wu Jihui . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 441 "13C chemical shifts" 289 "15N chemical shifts" 77 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-18 update BMRB 'update entry citation' 2012-10-22 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of an atypical PHD finger in BRPF2 and its interaction with DNA.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22820306 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu Lei . . 2 Qin Su . . 3 Zhang Jiahai . . 4 Ji Peng . . 5 Shi Yunyu . . 6 Wu Jihui . . stop_ _Journal_abbreviation 'J. Struct. Biol.' _Journal_name_full 'Journal of structural biology' _Journal_volume 180 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 165 _Page_last 173 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name BRD1_PHD2_finger _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label BRD1_PHD2_finger $BRD1_PHD2_finger 'ZINC ION_1' $entity_ZN 'ZINC ION_2' $entity_ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_BRD1_PHD2_finger _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 8640.185 _Mol_thiol_state 'other bound and free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 87 _Mol_residue_sequence ; MGHHHHHHMNIPPARWKLTC YLCKQKGVGASIQCHKANCY TAFHVTCAQKAGLYMKMEPV KELTGGGTTFSVRKTAYCDV HTPPGST ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 308 MET 2 309 GLY 3 310 HIS 4 311 HIS 5 312 HIS 6 313 HIS 7 314 HIS 8 315 HIS 9 316 MET 10 317 ASN 11 318 ILE 12 319 PRO 13 320 PRO 14 321 ALA 15 322 ARG 16 323 TRP 17 324 LYS 18 325 LEU 19 326 THR 20 327 CYS 21 328 TYR 22 329 LEU 23 330 CYS 24 331 LYS 25 332 GLN 26 333 LYS 27 334 GLY 28 335 VAL 29 336 GLY 30 337 ALA 31 338 SER 32 339 ILE 33 340 GLN 34 341 CYS 35 342 HIS 36 343 LYS 37 344 ALA 38 345 ASN 39 346 CYS 40 347 TYR 41 348 THR 42 349 ALA 43 350 PHE 44 351 HIS 45 352 VAL 46 353 THR 47 354 CYS 48 355 ALA 49 356 GLN 50 357 LYS 51 358 ALA 52 359 GLY 53 360 LEU 54 361 TYR 55 362 MET 56 363 LYS 57 364 MET 58 365 GLU 59 366 PRO 60 367 VAL 61 368 LYS 62 369 GLU 63 370 LEU 64 371 THR 65 372 GLY 66 373 GLY 67 374 GLY 68 375 THR 69 376 THR 70 377 PHE 71 378 SER 72 379 VAL 73 380 ARG 74 381 LYS 75 382 THR 76 383 ALA 77 384 TYR 78 385 CYS 79 386 ASP 80 387 VAL 81 388 HIS 82 389 THR 83 390 PRO 84 391 PRO 85 392 GLY 86 393 SER 87 394 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-03 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2LQ6 "Solution Structure Of Brd1 Phd2 Finger" 100.00 87 100.00 100.00 5.08e-57 DBJ BAF85117 "unnamed protein product [Homo sapiens]" 89.66 1189 97.44 97.44 7.49e-47 DBJ BAG65531 "unnamed protein product [Homo sapiens]" 89.66 995 97.44 97.44 1.39e-46 DBJ BAG72478 "bromodomain containing 1 [synthetic construct]" 89.66 1058 97.44 97.44 3.75e-47 EMBL CAG30294 "BRD1 [Homo sapiens]" 89.66 1058 97.44 97.44 3.75e-47 EMBL CAK54399 "BRD1 [synthetic construct]" 89.66 1058 97.44 97.44 3.75e-47 EMBL CAK54698 "BRD1 [synthetic construct]" 89.66 1058 97.44 97.44 3.75e-47 GB AAF34320 "BRL [Homo sapiens]" 89.66 1058 97.44 97.44 3.75e-47 GB AAH30007 "BRD1 protein [Homo sapiens]" 89.66 1189 97.44 97.44 7.71e-47 GB AAH47508 "BRD1 protein [Homo sapiens]" 89.66 1189 97.44 97.44 7.71e-47 GB EAW73473 "bromodomain containing 1, isoform CRA_a [Homo sapiens]" 89.66 1189 97.44 97.44 7.49e-47 GB EAW73474 "bromodomain containing 1, isoform CRA_b [Homo sapiens]" 89.66 1058 97.44 97.44 3.75e-47 REF NP_001291737 "bromodomain-containing protein 1 isoform 1 [Homo sapiens]" 89.66 1189 97.44 97.44 7.49e-47 REF NP_001291738 "bromodomain-containing protein 1 isoform 2 [Homo sapiens]" 89.66 1058 97.44 97.44 3.75e-47 REF XP_001111352 "PREDICTED: bromodomain-containing protein 1-like isoform 2 [Macaca mulatta]" 89.66 1059 97.44 97.44 3.31e-47 REF XP_001111383 "PREDICTED: bromodomain-containing protein 1-like isoform 3 [Macaca mulatta]" 89.66 1190 97.44 97.44 4.65e-47 REF XP_003280773 "PREDICTED: bromodomain-containing protein 1 [Nomascus leucogenys]" 89.66 1058 97.44 97.44 3.34e-47 SP O95696 "RecName: Full=Bromodomain-containing protein 1; AltName: Full=BR140-like protein; AltName: Full=Bromodomain and PHD finger-cont" 89.66 1058 97.44 97.44 3.75e-47 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 'ZINC ION' _BMRB_code ZN _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state 'not present' _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $BRD1_PHD2_finger Humans 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $BRD1_PHD2_finger 'recombinant technology' . Escherichia coli . pET28 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $BRD1_PHD2_finger 0.3 mM [U-15N] H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' NaCl 150 mM 'natural abundance' 'Bis-tris methane' 20 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $BRD1_PHD2_finger 0.4 mM '[U-13C; U-15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' NaCl 150 mM 'natural abundance' 'Bis-tris methane' 20 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $BRD1_PHD2_finger 0.4 mM '[U-13C; U-15N]' D2O 100 % 'natural abundance' NaCl 150 mM 'natural abundance' 'Bis-tris methane' 20 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_2 save_ save_3D_HCCH-COSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_3 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_3 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 150 . mM pH 6.5 . pH pressure 1 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HN(CO)CA' '3D HBHA(CO)NH' '3D H(CCO)NH' '3D HCCH-COSY' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name BRD1_PHD2_finger _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 316 9 MET HA H 4.243 0.002 1 2 316 9 MET HB2 H 1.824 0.01 2 3 316 9 MET HB3 H 1.824 0.01 2 4 316 9 MET HG2 H 2.245 0.007 2 5 316 9 MET HG3 H 2.245 0.007 2 6 316 9 MET C C 177.922 0.009 1 7 316 9 MET CA C 55.392 0.077 1 8 316 9 MET CB C 32.686 0.059 1 9 316 9 MET CG C 31.779 0.023 1 10 317 10 ASN H H 8.415 0.01 1 11 317 10 ASN HA H 4.501 0.003 1 12 317 10 ASN HB2 H 2.636 0.001 2 13 317 10 ASN HB3 H 2.568 0.033 2 14 317 10 ASN HD21 H 7.462 0.001 2 15 317 10 ASN C C 179.015 0.007 1 16 317 10 ASN CA C 53.191 0.17 1 17 317 10 ASN CB C 38.65 0.053 1 18 317 10 ASN N N 120.101 0.079 1 19 317 10 ASN ND2 N 113.078 0.01 1 20 318 11 ILE H H 7.924 0.015 1 21 318 11 ILE HA H 4.25 0.006 1 22 318 11 ILE HB H 1.663 0.004 1 23 318 11 ILE HG12 H 1.289 0.003 2 24 318 11 ILE HG13 H 0.94 0.004 2 25 318 11 ILE HG2 H 0.727 0.006 1 26 318 11 ILE HD1 H 0.644 0.004 1 27 318 11 ILE C C 179.506 0.75 1 28 318 11 ILE CA C 58.332 0.126 1 29 318 11 ILE CB C 38.713 0.042 1 30 318 11 ILE CG1 C 26.852 0.007 1 31 318 11 ILE CG2 C 37.008 0.006 1 32 318 11 ILE CD1 C 12.592 0.018 9 33 318 11 ILE N N 122.869 0.049 1 34 319 12 PRO HA H 4.359 0.002 1 35 319 12 PRO HB2 H 1.627 0.008 2 36 319 12 PRO HB3 H 2.014 0.001 2 37 319 12 PRO HG2 H 1.753 0.016 2 38 319 12 PRO HG3 H 1.753 0.016 2 39 319 12 PRO HD2 H 3.661 0.003 2 40 319 12 PRO HD3 H 3.411 0.002 2 41 319 12 PRO CA C 61.487 0.01 1 42 319 12 PRO CB C 30.96 0.03 1 43 320 13 PRO HA H 3.968 0.006 1 44 320 13 PRO HB2 H 1.961 0.007 2 45 320 13 PRO HB3 H 1.578 0.004 2 46 320 13 PRO HG2 H 1.726 0.005 2 47 320 13 PRO HG3 H 1.726 0.005 2 48 320 13 PRO HD2 H 3.52 0.002 2 49 320 13 PRO HD3 H 3.255 0.004 2 50 320 13 PRO C C 176.730 0.013 1 51 320 13 PRO CA C 62.874 0.048 1 52 320 13 PRO CB C 31.948 0.08 1 53 320 13 PRO CG C 27.337 0.011 1 54 320 13 PRO CD C 50.404 0.018 1 55 321 14 ALA H H 8.108 0.013 1 56 321 14 ALA HA H 3.952 0.004 1 57 321 14 ALA HB H 1.062 0.005 1 58 321 14 ALA C C 175.208 0.003 1 59 321 14 ALA CA C 52.876 0.076 1 60 321 14 ALA CB C 18.896 0.175 1 61 321 14 ALA N N 123.469 0.094 1 62 322 15 ARG H H 8.077 0.012 1 63 322 15 ARG HA H 3.943 0.007 1 64 322 15 ARG HB2 H 1.524 0.007 2 65 322 15 ARG HB3 H 1.524 0.007 2 66 322 15 ARG HG2 H 1.287 0.005 2 67 322 15 ARG HG3 H 1.287 0.005 2 68 322 15 ARG HD2 H 2.882 0.005 2 69 322 15 ARG HD3 H 2.882 0.005 2 70 322 15 ARG C C 176.87 0.006 1 71 322 15 ARG CA C 56.737 0.154 1 72 322 15 ARG CB C 30.23 0.105 1 73 322 15 ARG CG C 27.002 0.023 1 74 322 15 ARG CD C 43.132 0.007 1 75 322 15 ARG N N 118.725 0.08 1 76 323 16 TRP H H 7.634 0.007 1 77 323 16 TRP HA H 4.471 0.011 1 78 323 16 TRP HB2 H 3.096 0.006 2 79 323 16 TRP HB3 H 3.096 0.006 2 80 323 16 TRP HD1 H 7.045 0.011 1 81 323 16 TRP HE1 H 9.996 0.007 1 82 323 16 TRP HE3 H 7.34 0.011 1 83 323 16 TRP HZ2 H 7.281 0.008 1 84 323 16 TRP C C 177.322 0.032 1 85 323 16 TRP CA C 57.143 0.058 1 86 323 16 TRP CB C 29.192 0.013 1 87 323 16 TRP N N 120.113 0.078 1 88 323 16 TRP NE1 N 129.412 0.018 1 89 324 17 LYS H H 7.735 0.013 1 90 324 17 LYS HA H 3.951 0.008 1 91 324 17 LYS HB2 H 1.501 0.007 2 92 324 17 LYS HB3 H 1.376 0.008 2 93 324 17 LYS HG2 H 0.874 0.005 2 94 324 17 LYS HG3 H 0.874 0.005 2 95 324 17 LYS HD2 H 1.367 0.004 2 96 324 17 LYS HD3 H 1.367 0.004 2 97 324 17 LYS HE2 H 2.699 0.006 2 98 324 17 LYS HE3 H 2.699 0.006 2 99 324 17 LYS C C 179.457 0.750 1 100 324 17 LYS CA C 56.502 0.089 1 101 324 17 LYS CB C 32.867 0.082 1 102 324 17 LYS CG C 24.698 0.020 1 103 324 17 LYS CD C 29.019 0.026 1 104 324 17 LYS CE C 41.834 0.007 1 105 324 17 LYS N N 121.4 0.126 1 106 325 18 LEU H H 7.708 0.011 1 107 325 18 LEU HA H 4.141 0.002 1 108 325 18 LEU HB2 H 1.409 0.007 2 109 325 18 LEU HB3 H 1.189 0.004 2 110 325 18 LEU HD1 H 0.631 0.007 2 111 325 18 LEU HD2 H 0.611 0.007 2 112 325 18 LEU C C 176.781 0.022 1 113 325 18 LEU CA C 54.574 0.074 1 114 325 18 LEU CB C 42.252 0.038 1 115 325 18 LEU CD1 C 25.348 0.048 2 116 325 18 LEU CD2 C 22.836 0.04 2 117 325 18 LEU N N 121.064 0.119 1 118 326 19 THR H H 7.915 0.008 1 119 326 19 THR HA H 3.935 0.009 1 120 326 19 THR HB H 3.709 0.008 1 121 326 19 THR HG2 H 0.834 0.003 1 122 326 19 THR C C 180.854 0.049 1 123 326 19 THR CA C 61.977 0.116 1 124 326 19 THR CB C 70.166 0.101 1 125 326 19 THR CG2 C 21.225 0.062 1 126 326 19 THR N N 117.252 0.073 1 127 327 20 CYS H H 8.055 0.01 1 128 327 20 CYS HA H 4.324 0.006 1 129 327 20 CYS HB2 H 3.066 0.011 2 130 327 20 CYS HB3 H 1.687 0.008 2 131 327 20 CYS C C 175.898 0.002 1 132 327 20 CYS CA C 57.928 0.054 1 133 327 20 CYS CB C 31.298 0.046 1 134 327 20 CYS N N 127.254 0.079 1 135 328 21 TYR H H 9.082 0.007 1 136 328 21 TYR HA H 4.488 0.005 1 137 328 21 TYR HB2 H 3.184 0.003 2 138 328 21 TYR HB3 H 3.285 0.011 2 139 328 21 TYR HD1 H 7.19 0.005 1 140 328 21 TYR HD2 H 7.19 0.005 1 141 328 21 TYR HE1 H 6.534 0.004 1 142 328 21 TYR HE2 H 6.534 0.004 1 143 328 21 TYR C C 178.625 0.022 1 144 328 21 TYR CA C 58.951 0.142 1 145 328 21 TYR CB C 37.712 0.059 1 146 328 21 TYR N N 129.752 0.129 1 147 329 22 LEU H H 8.14 0.006 1 148 329 22 LEU HA H 3.749 0.003 1 149 329 22 LEU HB2 H 1.429 0.003 2 150 329 22 LEU HB3 H 1.163 0.008 2 151 329 22 LEU HD1 H 0.343 0.008 2 152 329 22 LEU HD2 H 0.251 0.008 2 153 329 22 LEU C C 176.268 0.039 1 154 329 22 LEU CA C 56.514 0.038 1 155 329 22 LEU CB C 42.975 0.043 1 156 329 22 LEU CD1 C 25.716 0.032 2 157 329 22 LEU CD2 C 22.573 0.006 2 158 329 22 LEU N N 124.057 0.081 1 159 330 23 CYS H H 7.971 0.006 1 160 330 23 CYS HA H 4.741 0.002 1 161 330 23 CYS HB2 H 3.024 0.01 2 162 330 23 CYS HB3 H 2.885 0.005 2 163 330 23 CYS C C 177.769 0.01 1 164 330 23 CYS CA C 58.459 0.063 1 165 330 23 CYS CB C 30.918 0.102 1 166 330 23 CYS N N 117.734 0.065 1 167 331 24 LYS H H 7.842 0.005 1 168 331 24 LYS HA H 3.98 0.005 1 169 331 24 LYS HB2 H 1.874 0.008 2 170 331 24 LYS HB3 H 1.874 0.008 2 171 331 24 LYS HG2 H 1.119 0.004 2 172 331 24 LYS HG3 H 1.119 0.004 2 173 331 24 LYS HD2 H 1.484 0.013 2 174 331 24 LYS HD3 H 1.484 0.013 2 175 331 24 LYS HE2 H 2.85 0.011 2 176 331 24 LYS HE3 H 2.85 0.011 2 177 331 24 LYS C C 178.178 0.034 1 178 331 24 LYS CA C 57.52 0.072 1 179 331 24 LYS CB C 29.278 0.132 1 180 331 24 LYS CG C 25.288 0.002 1 181 331 24 LYS CE C 42.191 0.012 1 182 331 24 LYS N N 118.437 0.08 1 183 332 25 GLN H H 8.306 0.008 1 184 332 25 GLN HA H 4.574 0.002 1 185 332 25 GLN HB2 H 2.047 0.008 2 186 332 25 GLN HB3 H 2.047 0.008 2 187 332 25 GLN HG2 H 2.265 0.004 2 188 332 25 GLN HG3 H 2.265 0.004 2 189 332 25 GLN HE21 H 7.301 0.002 2 190 332 25 GLN HE22 H 6.751 0.004 2 191 332 25 GLN C C 177.619 0.001 1 192 332 25 GLN CA C 54.362 0.031 1 193 332 25 GLN CB C 31.843 0.082 1 194 332 25 GLN CG C 33.548 0.002 1 195 332 25 GLN N N 118.445 0.105 1 196 332 25 GLN NE2 N 112.446 0.015 1 197 333 26 LYS H H 8.545 0.016 1 198 333 26 LYS HA H 4.222 0.01 1 199 333 26 LYS HB2 H 1.652 0.003 2 200 333 26 LYS HB3 H 1.652 0.003 2 201 333 26 LYS HG2 H 1.279 0.006 2 202 333 26 LYS HG3 H 1.279 0.006 2 203 333 26 LYS HD2 H 1.505 0.007 2 204 333 26 LYS HD3 H 1.505 0.007 2 205 333 26 LYS HE2 H 2.806 0.009 2 206 333 26 LYS HE3 H 2.806 0.009 2 207 333 26 LYS C C 175.456 0.017 1 208 333 26 LYS CA C 57.729 0.093 1 209 333 26 LYS CB C 32.925 0.079 1 210 333 26 LYS CG C 24.785 0.043 1 211 333 26 LYS CD C 29.159 0.015 1 212 333 26 LYS N N 122.851 0.054 1 213 334 27 GLY H H 8.348 0.009 1 214 334 27 GLY HA2 H 3.65 0.004 2 215 334 27 GLY HA3 H 3.65 0.004 2 216 334 27 GLY C C 180.017 0.019 1 217 334 27 GLY CA C 45.559 0.035 1 218 334 27 GLY N N 107.216 0.099 1 219 335 28 VAL H H 7.867 0.013 1 220 335 28 VAL HA H 4.133 0.005 1 221 335 28 VAL HB H 1.841 0.003 1 222 335 28 VAL HG1 H 0.606 0.007 2 223 335 28 VAL HG2 H 0.646 0.008 2 224 335 28 VAL C C 177.439 0.008 1 225 335 28 VAL CA C 61.502 0.05 1 226 335 28 VAL CB C 33.563 0.065 1 227 335 28 VAL CG2 C 19.673 0.011 2 228 335 28 VAL N N 117.437 0.067 1 229 336 29 GLY H H 8.186 0.01 1 230 336 29 GLY HA2 H 3.735 0.003 2 231 336 29 GLY HA3 H 3.971 0.005 2 232 336 29 GLY C C 180.088 0.022 1 233 336 29 GLY CA C 44.344 0.094 1 234 336 29 GLY N N 110.723 0.066 1 235 337 30 ALA H H 8.269 0.011 1 236 337 30 ALA HA H 4.193 0.008 1 237 337 30 ALA HB H 1.242 0.005 1 238 337 30 ALA C C 175.274 0.008 1 239 337 30 ALA CA C 52.904 0.098 1 240 337 30 ALA CB C 19.677 0.184 1 241 337 30 ALA N N 122.643 0.11 1 242 338 31 SER H H 8.415 0.016 1 243 338 31 SER HA H 4.775 0.007 1 244 338 31 SER HB2 H 3.261 0.007 2 245 338 31 SER HB3 H 3.261 0.007 2 246 338 31 SER C C 180.923 0.007 1 247 338 31 SER CA C 57.406 0.154 1 248 338 31 SER CB C 65.388 0.096 1 249 338 31 SER N N 117.644 0.054 1 250 339 32 ILE H H 8.522 0.007 1 251 339 32 ILE HA H 4.123 0.005 1 252 339 32 ILE HB H 1.383 0.007 1 253 339 32 ILE HG12 H 1.043 0.009 2 254 339 32 ILE HG13 H 0.795 0.01 2 255 339 32 ILE HG2 H 0.549 0.004 1 256 339 32 ILE HD1 H 0.579 0.011 1 257 339 32 ILE C C 181.302 0.028 1 258 339 32 ILE CA C 59.768 0.081 1 259 339 32 ILE CB C 41.252 0.036 1 260 339 32 ILE CG1 C 26.724 0.045 1 261 339 32 ILE CG2 C 18.069 0.039 1 262 339 32 ILE CD1 C 14.516 0.025 1 263 339 32 ILE N N 121.24 0.112 1 264 340 33 GLN H H 7.72 0.01 1 265 340 33 GLN HA H 4.335 0.007 1 266 340 33 GLN HB2 H 1.695 0.008 2 267 340 33 GLN HB3 H 1.583 0.007 2 268 340 33 GLN HG2 H 1.848 0.005 2 269 340 33 GLN HG3 H 2.203 0.005 2 270 340 33 GLN HE21 H 7.423 0.001 2 271 340 33 GLN HE22 H 6.706 0.001 2 272 340 33 GLN C C 179.377 0.022 1 273 340 33 GLN CA C 53.739 0.025 1 274 340 33 GLN CB C 32.179 0.115 1 275 340 33 GLN CG C 34.797 0.032 1 276 340 33 GLN N N 120.384 0.1 1 277 340 33 GLN NE2 N 112.234 0.01 1 278 341 34 CYS H H 8.292 0.007 1 279 341 34 CYS HA H 4.036 0.007 1 280 341 34 CYS HB2 H 2.989 0.002 2 281 341 34 CYS HB3 H 2.9 0.009 2 282 341 34 CYS C C 178.269 0.07 1 283 341 34 CYS CA C 60.992 0.008 1 284 341 34 CYS CB C 32.346 0.246 1 285 341 34 CYS N N 125.463 0.078 1 286 342 35 HIS H H 8.722 0.006 1 287 342 35 HIS HA H 4.128 0.006 1 288 342 35 HIS HB2 H 2.832 0.013 2 289 342 35 HIS HB3 H 2.272 0.011 2 290 342 35 HIS HD2 H 6.345 0.006 1 291 342 35 HIS HE1 H 7.017 0.014 1 292 342 35 HIS CA C 57.556 0.069 1 293 342 35 HIS CB C 29.945 0.031 1 294 342 35 HIS N N 126.611 0.157 1 295 343 36 LYS H H 8.567 0.006 1 296 343 36 LYS HA H 3.94 0.007 1 297 343 36 LYS HB2 H 1.676 0.006 2 298 343 36 LYS HB3 H 1.251 0.005 2 299 343 36 LYS HG2 H 0.207 0.009 2 300 343 36 LYS HG3 H 0.967 0.007 2 301 343 36 LYS HD2 H 1.36 0.01 2 302 343 36 LYS HD3 H 0.991 0.005 2 303 343 36 LYS HE2 H 2.624 0.004 2 304 343 36 LYS HE3 H 2.624 0.004 2 305 343 36 LYS C C 176.701 0.006 1 306 343 36 LYS CA C 56.155 0.077 1 307 343 36 LYS CB C 33.033 0.086 1 308 343 36 LYS CG C 23.329 0.064 1 309 343 36 LYS CD C 28.098 0.053 1 310 343 36 LYS CE C 42.016 0.048 1 311 343 36 LYS N N 124.049 0.105 1 312 344 37 ALA H H 8.363 0.01 1 313 344 37 ALA HA H 3.733 0.003 1 314 344 37 ALA HB H 1.095 0.004 1 315 344 37 ALA C C 175.302 0.016 1 316 344 37 ALA CA C 53.917 0.046 1 317 344 37 ALA CB C 18.206 0.177 1 318 344 37 ALA N N 130.751 0.138 1 319 345 38 ASN H H 8.292 0.013 1 320 345 38 ASN HA H 3.885 0.005 1 321 345 38 ASN HB2 H 2.742 0.003 2 322 345 38 ASN HB3 H 2.742 0.003 2 323 345 38 ASN HD21 H 7.361 0.002 2 324 345 38 ASN HD22 H 6.774 0.001 2 325 345 38 ASN C C 181.195 0.006 1 326 345 38 ASN CA C 53.606 0.076 1 327 345 38 ASN CB C 37.443 0.164 1 328 345 38 ASN N N 114.094 0.064 1 329 345 38 ASN ND2 N 113.254 0.044 1 330 346 39 CYS H H 7.283 0.007 1 331 346 39 CYS C C 178.723 0.006 1 332 346 39 CYS N N 121.417 0.097 1 333 347 40 TYR H H 7.923 0.451 1 334 347 40 TYR HA H 4.212 0.011 1 335 347 40 TYR HB2 H 2.841 0.01 2 336 347 40 TYR HB3 H 2.841 0.01 2 337 347 40 TYR HD1 H 6.7 0.006 1 338 347 40 TYR HD2 H 6.7 0.006 1 339 347 40 TYR C C 178.156 0.750 1 340 347 40 TYR CA C 56.478 0.001 1 341 347 40 TYR CB C 37.446 0.082 1 342 348 41 THR H H 8.421 0.011 1 343 348 41 THR HA H 3.806 0.01 1 344 348 41 THR HB H 3.937 0.004 1 345 348 41 THR HG2 H 0.688 0.008 1 346 348 41 THR C C 182.343 0.019 1 347 348 41 THR CA C 64.932 0.113 1 348 348 41 THR CB C 68.772 0.036 1 349 348 41 THR CG2 C 24.107 0.038 1 350 348 41 THR N N 122.674 0.086 1 351 349 42 ALA H H 8.856 0.01 1 352 349 42 ALA HA H 4.967 0.009 1 353 349 42 ALA HB H 1.038 0.007 1 354 349 42 ALA C C 176.955 0.011 1 355 349 42 ALA CA C 49.997 0.037 1 356 349 42 ALA CB C 23.467 0.086 1 357 349 42 ALA N N 130.177 0.096 1 358 350 43 PHE H H 7.912 0.006 1 359 350 43 PHE HA H 5.525 0.009 1 360 350 43 PHE HB2 H 3.417 0.01 2 361 350 43 PHE HB3 H 2.838 0.009 2 362 350 43 PHE HD1 H 6.716 0.007 1 363 350 43 PHE HD2 H 6.716 0.007 1 364 350 43 PHE HE1 H 7.179 0.01 3 365 350 43 PHE C C 177.894 0.008 1 366 350 43 PHE CA C 53.625 0.057 1 367 350 43 PHE CB C 39.459 0.047 1 368 350 43 PHE N N 113.053 0.061 1 369 351 44 HIS H H 9.335 0.005 1 370 351 44 HIS HA H 4.892 0.006 1 371 351 44 HIS HB2 H 3.536 0.01 2 372 351 44 HIS HB3 H 3.536 0.01 2 373 351 44 HIS HD2 H 6.862 0.007 1 374 351 44 HIS HE1 H 7.47 0.009 1 375 351 44 HIS C C 176.371 0.02 1 376 351 44 HIS CA C 58.019 0.084 1 377 351 44 HIS CB C 31.716 0.029 1 378 351 44 HIS N N 118.497 0.092 1 379 352 45 VAL H H 8.654 0.014 1 380 352 45 VAL HA H 3.476 0.006 1 381 352 45 VAL HB H 1.997 0.006 1 382 352 45 VAL HG1 H 0.78 0.003 2 383 352 45 VAL HG2 H 0.86 0.009 2 384 352 45 VAL C C 175.305 0.012 1 385 352 45 VAL CA C 67.359 0.082 1 386 352 45 VAL CB C 31.627 0.091 1 387 352 45 VAL CG1 C 20.981 0.059 2 388 352 45 VAL CG2 C 22.696 0.168 2 389 352 45 VAL N N 124.407 0.091 1 390 353 46 THR H H 8.37 0.008 1 391 353 46 THR HA H 3.997 0.006 1 392 353 46 THR HB H 4.016 0.004 1 393 353 46 THR HG2 H 1.156 0.006 1 394 353 46 THR C C 175.01 0.032 1 395 353 46 THR CA C 65.008 0.048 1 396 353 46 THR CB C 67.83 0.111 1 397 353 46 THR CG2 C 22.554 0.056 1 398 353 46 THR N N 111.166 0.069 1 399 354 47 CYS H H 6.668 0.007 1 400 354 47 CYS HA H 3.762 0.006 1 401 354 47 CYS HB2 H 2.882 0.016 2 402 354 47 CYS HB3 H 2.772 0.008 2 403 354 47 CYS C C 175.912 0.005 1 404 354 47 CYS CA C 63.372 0.044 1 405 354 47 CYS CB C 29.076 0.059 1 406 354 47 CYS N N 120.975 0.066 1 407 355 48 ALA H H 8.481 0.006 1 408 355 48 ALA HA H 3.511 0.008 1 409 355 48 ALA HB H 1.368 0.008 1 410 355 48 ALA C C 174.031 0.001 1 411 355 48 ALA CA C 55.045 0.086 1 412 355 48 ALA CB C 19.962 0.049 1 413 355 48 ALA N N 123.247 0.085 1 414 356 49 GLN H H 8.055 0.006 1 415 356 49 GLN HA H 4.003 0.002 1 416 356 49 GLN HB2 H 2.144 0.01 2 417 356 49 GLN HB3 H 1.945 0.008 2 418 356 49 GLN HG2 H 2.177 0.009 2 419 356 49 GLN HG3 H 2.416 0.006 2 420 356 49 GLN HE21 H 7.231 0.001 2 421 356 49 GLN HE22 H 6.619 0.001 2 422 356 49 GLN C C 173.755 0.004 1 423 356 49 GLN CA C 58.728 0.132 1 424 356 49 GLN CB C 28.196 0.057 1 425 356 49 GLN CG C 34.235 0.011 1 426 356 49 GLN N N 118.15 0.063 1 427 357 50 LYS H H 7.628 0.008 1 428 357 50 LYS HA H 3.866 0.009 1 429 357 50 LYS HB2 H 1.751 0.004 2 430 357 50 LYS HB3 H 1.467 0.004 2 431 357 50 LYS HG2 H 1.289 0.006 2 432 357 50 LYS HG3 H 1.422 0.008 2 433 357 50 LYS HE2 H 2.775 0.011 2 434 357 50 LYS HE3 H 2.775 0.011 2 435 357 50 LYS C C 175.624 0.017 1 436 357 50 LYS CA C 58.989 0.063 1 437 357 50 LYS CB C 32.377 0.105 1 438 357 50 LYS CG C 25.081 0.076 1 439 357 50 LYS CE C 41.673 0.013 1 440 357 50 LYS N N 120.248 0.092 1 441 358 51 ALA H H 7.558 0.008 1 442 358 51 ALA HA H 4.138 0.002 1 443 358 51 ALA HB H 1.204 0.002 1 444 358 51 ALA C C 176.132 0.012 1 445 358 51 ALA CA C 52.263 0.042 1 446 358 51 ALA CB C 19.69 0.039 1 447 358 51 ALA N N 118.343 0.108 1 448 359 52 GLY H H 7.481 0.006 1 449 359 52 GLY HA2 H 3.796 0.007 2 450 359 52 GLY HA3 H 3.796 0.007 2 451 359 52 GLY C C 178.221 0.02 1 452 359 52 GLY CA C 46.323 0.054 1 453 359 52 GLY N N 107.058 0.049 1 454 360 53 LEU H H 7.502 0.013 1 455 360 53 LEU HA H 4.002 0.01 1 456 360 53 LEU HB2 H 1.628 0.009 2 457 360 53 LEU HB3 H 1.032 0.004 2 458 360 53 LEU HG H 1.365 0.006 1 459 360 53 LEU HD1 H 0.504 0.006 2 460 360 53 LEU HD2 H 0.16 0.008 2 461 360 53 LEU C C 176.917 0.008 1 462 360 53 LEU CA C 54.926 0.072 1 463 360 53 LEU CB C 39.949 0.054 1 464 360 53 LEU CG C 27.551 0.032 1 465 360 53 LEU CD1 C 21.527 0.021 2 466 360 53 LEU CD2 C 24.143 0.041 2 467 360 53 LEU N N 118.335 0.07 1 468 361 54 TYR H H 9.307 0.008 1 469 361 54 TYR HA H 4.024 0.005 1 470 361 54 TYR HB2 H 3.057 0.028 2 471 361 54 TYR HB3 H 2.877 0.008 2 472 361 54 TYR HD1 H 6.993 0.009 1 473 361 54 TYR HD2 H 6.993 0.009 1 474 361 54 TYR HE1 H 6.616 0.005 1 475 361 54 TYR HE2 H 6.616 0.005 1 476 361 54 TYR C C 178.584 0.015 1 477 361 54 TYR CA C 59.385 0.099 1 478 361 54 TYR CB C 39.068 0.071 1 479 361 54 TYR N N 124.191 0.08 1 480 362 55 MET H H 7.575 0.011 1 481 362 55 MET HA H 4.953 0.005 1 482 362 55 MET HB2 H 1.736 0.009 2 483 362 55 MET HB3 H 1.736 0.009 2 484 362 55 MET HG2 H 2.236 0.002 2 485 362 55 MET HG3 H 2.144 0.009 2 486 362 55 MET HE H 0.572 0.003 1 487 362 55 MET C C 179.342 0.003 1 488 362 55 MET CA C 54.918 0.079 1 489 362 55 MET CB C 35.857 0.096 1 490 362 55 MET CG C 31.541 0.005 1 491 362 55 MET N N 127.473 0.087 1 492 363 56 LYS H H 8.575 0.01 1 493 363 56 LYS HA H 4.339 0.011 1 494 363 56 LYS HB2 H 1.551 0.008 2 495 363 56 LYS HB3 H 1.367 0.007 2 496 363 56 LYS HG2 H 0.973 0.005 2 497 363 56 LYS HG3 H 0.973 0.005 2 498 363 56 LYS HD2 H 1.468 0.001 2 499 363 56 LYS HD3 H 1.468 0.001 2 500 363 56 LYS HE2 H 2.682 0.007 2 501 363 56 LYS HE3 H 2.635 0.001 2 502 363 56 LYS C C 178.541 0.027 1 503 363 56 LYS CA C 54.939 0.144 1 504 363 56 LYS CB C 35.977 0.04 1 505 363 56 LYS CG C 24.717 0.009 1 506 363 56 LYS CE C 41.799 0.011 1 507 363 56 LYS N N 124.429 0.092 1 508 364 57 MET H H 8.484 0.009 1 509 364 57 MET HA H 4.801 0.004 1 510 364 57 MET HB2 H 1.836 0.002 2 511 364 57 MET HB3 H 1.583 0.006 2 512 364 57 MET HG2 H 2.28 0.001 2 513 364 57 MET HG3 H 2.377 0.002 2 514 364 57 MET HE H 0.632 0.004 1 515 364 57 MET C C 178.016 0.750 1 516 364 57 MET CA C 54.111 0.005 1 517 364 57 MET CG C 32.383 0.027 1 518 364 57 MET N N 123.35 0.128 1 519 365 58 GLU H H 8.193 0.001 1 520 365 58 GLU HB2 H 1.834 0.008 2 521 365 58 GLU HB3 H 1.834 0.008 2 522 365 58 GLU HG2 H 2.282 0.008 2 523 365 58 GLU HG3 H 2.282 0.008 2 524 365 58 GLU N N 121.319 0.043 1 525 366 59 PRO HA H 4.665 0.013 1 526 366 59 PRO HB2 H 2.04 0.004 2 527 366 59 PRO HB3 H 1.68 0.006 2 528 366 59 PRO HG2 H 1.944 0.002 2 529 366 59 PRO HG3 H 1.785 0.014 2 530 366 59 PRO HD2 H 3.642 0.01 2 531 366 59 PRO HD3 H 3.4 0.011 2 532 366 59 PRO C C 176.742 0.006 1 533 366 59 PRO CA C 62.524 0.021 1 534 366 59 PRO CB C 32.125 0.066 1 535 366 59 PRO CG C 27.485 0.015 1 536 366 59 PRO CD C 50.909 0.037 1 537 367 60 VAL H H 8.509 0.009 1 538 367 60 VAL HA H 4.105 0.011 1 539 367 60 VAL HB H 1.826 0.009 1 540 367 60 VAL HG1 H 0.6 0.004 2 541 367 60 VAL HG2 H 0.69 0.004 2 542 367 60 VAL C C 178.435 0.017 1 543 367 60 VAL CA C 61.529 0.109 1 544 367 60 VAL CB C 34.057 0.043 1 545 367 60 VAL CG1 C 19.666 0.01 2 546 367 60 VAL CG2 C 21.015 0.083 2 547 367 60 VAL N N 122.754 0.08 1 548 368 61 LYS H H 8.379 0.012 1 549 368 61 LYS HA H 4.18 0.005 1 550 368 61 LYS HB2 H 1.48 0.012 2 551 368 61 LYS HB3 H 1.48 0.012 2 552 368 61 LYS HG2 H 1.024 0.003 2 553 368 61 LYS HG3 H 1.024 0.003 2 554 368 61 LYS HD2 H 0.856 0.015 2 555 368 61 LYS HD3 H 0.856 0.015 2 556 368 61 LYS HE2 H 2.746 0.005 2 557 368 61 LYS HE3 H 2.746 0.005 2 558 368 61 LYS C C 177.499 0.014 1 559 368 61 LYS CA C 56.047 0.049 1 560 368 61 LYS CB C 33.313 0.093 1 561 368 61 LYS CG C 24.731 0.034 1 562 368 61 LYS CD C 29.326 0.399 1 563 368 61 LYS N N 126.381 0.084 1 564 369 62 GLU H H 8.355 0.007 1 565 369 62 GLU HA H 4.246 0.003 1 566 369 62 GLU HB2 H 1.783 0.009 2 567 369 62 GLU HB3 H 1.669 0.006 2 568 369 62 GLU HG2 H 1.985 0.003 2 569 369 62 GLU HG3 H 1.985 0.003 2 570 369 62 GLU C C 177.861 0.009 1 571 369 62 GLU CA C 55.596 0.101 1 572 369 62 GLU CB C 31.289 0.048 1 573 369 62 GLU CG C 36.176 0.014 1 574 369 62 GLU N N 123.927 0.08 1 575 370 63 LEU H H 8.419 0.012 1 576 370 63 LEU HA H 4.356 0.007 1 577 370 63 LEU HB2 H 1.445 0.004 2 578 370 63 LEU HB3 H 1.445 0.004 2 579 370 63 LEU HG H 1.432 0.002 1 580 370 63 LEU HD1 H 0.71 0.001 2 581 370 63 LEU HD2 H 0.649 0.006 2 582 370 63 LEU C C 176.026 0.012 1 583 370 63 LEU CA C 55.223 0.14 1 584 370 63 LEU CB C 42.061 0.085 1 585 370 63 LEU CG C 27.076 0.018 1 586 370 63 LEU CD1 C 24.689 0.029 2 587 370 63 LEU CD2 C 23.622 0.056 2 588 370 63 LEU N N 124.406 0.098 1 589 371 64 THR H H 7.966 0.008 1 590 371 64 THR HA H 4.306 0.008 1 591 371 64 THR HB H 4.087 0.008 1 592 371 64 THR HG2 H 0.983 0.006 1 593 371 64 THR C C 178.158 0.019 1 594 371 64 THR CA C 61.196 0.057 1 595 371 64 THR CB C 70.416 0.163 1 596 371 64 THR CG2 C 21.271 0.021 1 597 371 64 THR N N 114.722 0.058 1 598 372 65 GLY H H 8.565 0.014 1 599 372 65 GLY HA2 H 3.4 0.001 2 600 372 65 GLY HA3 H 3.795 0.009 2 601 372 65 GLY C C 178.512 0.013 1 602 372 65 GLY CA C 46.227 0.036 1 603 372 65 GLY N N 111.711 0.057 1 604 373 66 GLY H H 8.227 0.011 1 605 373 66 GLY HA2 H 3.815 0.002 2 606 373 66 GLY HA3 H 3.815 0.002 2 607 373 66 GLY C C 178.999 0.003 1 608 373 66 GLY CA C 45.287 0.14 1 609 373 66 GLY N N 108.771 0.079 1 610 374 67 GLY H H 7.876 0.027 1 611 374 67 GLY HA2 H 3.904 0.006 2 612 374 67 GLY HA3 H 3.904 0.006 2 613 374 67 GLY C C 179.721 0.002 1 614 374 67 GLY CA C 44.987 0.083 1 615 374 67 GLY N N 108.901 0.072 1 616 375 68 THR H H 8.112 0.014 1 617 375 68 THR HA H 4.45 0.011 1 618 375 68 THR HB H 3.942 0.003 1 619 375 68 THR HG2 H 0.866 0.002 1 620 375 68 THR C C 178.997 0.013 1 621 375 68 THR CA C 61.9 0.117 1 622 375 68 THR CB C 70.047 0.166 1 623 375 68 THR CG2 C 21.773 0.02 1 624 375 68 THR N N 114.505 0.067 1 625 376 69 THR H H 8.259 0.009 1 626 376 69 THR HA H 4.302 0.012 1 627 376 69 THR HB H 3.945 0.004 1 628 376 69 THR HG2 H 0.949 0.002 1 629 376 69 THR C C 180.403 0.028 1 630 376 69 THR CA C 61.114 0.035 1 631 376 69 THR CB C 70.422 0.067 1 632 376 69 THR CG2 C 21.416 0.006 1 633 376 69 THR N N 118.054 0.066 1 634 377 70 PHE H H 8.351 0.014 1 635 377 70 PHE HA H 4.91 0.007 1 636 377 70 PHE HB2 H 2.906 0.005 2 637 377 70 PHE HB3 H 2.759 0.005 2 638 377 70 PHE HD1 H 6.999 0.007 1 639 377 70 PHE HD2 H 6.999 0.007 1 640 377 70 PHE C C 177.972 0.001 1 641 377 70 PHE CA C 57.227 0.09 1 642 377 70 PHE CB C 40.873 0.048 1 643 377 70 PHE N N 122.009 0.086 1 644 378 71 SER H H 8.519 0.008 1 645 378 71 SER HA H 4.493 0.007 1 646 378 71 SER HB2 H 3.626 0.004 2 647 378 71 SER HB3 H 3.626 0.004 2 648 378 71 SER C C 180.063 0.022 1 649 378 71 SER CA C 57.276 0.152 1 650 378 71 SER CB C 64.612 0.122 1 651 378 71 SER N N 117.853 0.088 1 652 379 72 VAL H H 8.277 0.011 1 653 379 72 VAL HA H 4.441 0.008 1 654 379 72 VAL HB H 1.729 0.005 1 655 379 72 VAL HG1 H 0.628 0.002 2 656 379 72 VAL HG2 H 0.693 0.007 2 657 379 72 VAL C C 178.192 0.006 1 658 379 72 VAL CA C 61.369 0.039 1 659 379 72 VAL CB C 33.944 0.058 1 660 379 72 VAL CG1 C 21.743 0.045 2 661 379 72 VAL CG2 C 20.547 0.039 2 662 379 72 VAL N N 120.162 0.084 1 663 380 73 ARG H H 8.727 0.007 1 664 380 73 ARG HA H 4.43 0.005 1 665 380 73 ARG HB2 H 1.583 0.019 2 666 380 73 ARG HB3 H 1.553 0.067 2 667 380 73 ARG HG2 H 1.411 0.004 2 668 380 73 ARG HG3 H 1.333 0.004 2 669 380 73 ARG HD2 H 2.985 0.002 2 670 380 73 ARG HD3 H 2.985 0.002 2 671 380 73 ARG C C 177.524 0.75 1 672 380 73 ARG CA C 54.744 0.085 1 673 380 73 ARG CB C 32.635 0.075 1 674 380 73 ARG CG C 26.792 0.027 1 675 380 73 ARG CD C 43.395 0.012 1 676 380 73 ARG N N 126.538 0.103 1 677 381 74 LYS H H 8.636 0.014 1 678 381 74 LYS HA H 4.613 0.005 1 679 381 74 LYS HB2 H 1.487 0.008 2 680 381 74 LYS HB3 H 1.487 0.008 2 681 381 74 LYS HG2 H 1.217 0.011 2 682 381 74 LYS HG3 H 1.103 0.005 2 683 381 74 LYS HD2 H 1.453 0.002 2 684 381 74 LYS HD3 H 1.453 0.002 2 685 381 74 LYS HE2 H 2.754 0.01 2 686 381 74 LYS HE3 H 2.754 0.01 2 687 381 74 LYS C C 178.050 0.034 1 688 381 74 LYS CA C 56.325 0.098 1 689 381 74 LYS CB C 33.149 0.088 1 690 381 74 LYS CG C 25.26 0.028 1 691 381 74 LYS CD C 29.164 0.033 1 692 381 74 LYS N N 126.485 0.066 1 693 382 75 THR H H 8.544 0.011 1 694 382 75 THR HA H 3.791 0.007 1 695 382 75 THR HB H 3.628 0.007 1 696 382 75 THR HG2 H 0.55 0.005 1 697 382 75 THR C C 181.578 0.003 1 698 382 75 THR CA C 61.703 0.141 1 699 382 75 THR CB C 70.771 0.122 1 700 382 75 THR CG2 C 21.114 0.063 1 701 382 75 THR N N 120.767 0.058 1 702 383 76 ALA H H 7.981 0.024 1 703 383 76 ALA HA H 5.358 0.007 1 704 383 76 ALA HB H 1.325 0.006 1 705 383 76 ALA C C 178.931 0.001 1 706 383 76 ALA CA C 50.669 0.083 1 707 383 76 ALA CB C 24.682 0.079 1 708 383 76 ALA N N 126.39 0.09 1 709 384 77 TYR H H 7.899 0.005 1 710 384 77 TYR HA H 5.92 0.02 1 711 384 77 TYR HB2 H 3.025 0.009 2 712 384 77 TYR HB3 H 2.513 0.005 2 713 384 77 TYR HD1 H 6.972 0.007 1 714 384 77 TYR HD2 H 6.972 0.007 1 715 384 77 TYR HE1 H 6.445 0.029 3 716 384 77 TYR HE2 H 6.63 0.008 3 717 384 77 TYR C C 177.384 0.003 1 718 384 77 TYR CA C 56.234 0.043 1 719 384 77 TYR CB C 43.201 0.035 1 720 384 77 TYR N N 116.182 0.077 1 721 385 78 CYS H H 9.855 0.007 1 722 385 78 CYS HA H 4.312 0.008 1 723 385 78 CYS HB2 H 2.962 0.005 2 724 385 78 CYS HB3 H 2.669 0.017 2 725 385 78 CYS C C 178.543 0.025 1 726 385 78 CYS CA C 58.293 0.041 1 727 385 78 CYS CB C 29.815 0.062 1 728 385 78 CYS N N 121.146 0.08 1 729 386 79 ASP H H 7.657 0.007 1 730 386 79 ASP HA H 3.946 0.003 1 731 386 79 ASP HB2 H 2.59 0.01 2 732 386 79 ASP HB3 H 2.429 0.004 2 733 386 79 ASP C C 175.51 0.011 1 734 386 79 ASP CA C 57.118 0.117 1 735 386 79 ASP CB C 40.495 0.05 1 736 386 79 ASP N N 115.334 0.085 1 737 387 80 VAL H H 7.601 0.006 1 738 387 80 VAL HA H 3.579 0.003 1 739 387 80 VAL HB H 1.326 0.006 1 740 387 80 VAL HG1 H 0.452 0.004 2 741 387 80 VAL HG2 H 0.364 0.007 2 742 387 80 VAL C C 176.437 0.016 1 743 387 80 VAL CA C 64.272 0.083 1 744 387 80 VAL CB C 31.798 0.106 1 745 387 80 VAL CG1 C 21.281 0.068 2 746 387 80 VAL CG2 C 20.729 0.151 2 747 387 80 VAL N N 119.872 0.051 1 748 388 81 HIS H H 7.385 0.007 1 749 388 81 HIS HA H 4.632 0.007 1 750 388 81 HIS HB2 H 3.314 0.011 2 751 388 81 HIS HB3 H 2.945 0.007 2 752 388 81 HIS HD2 H 7.025 0.043 1 753 388 81 HIS C C 180.644 0.031 1 754 388 81 HIS CA C 56.212 0.066 1 755 388 81 HIS CB C 31.774 0.065 1 756 388 81 HIS N N 119.244 0.083 1 757 389 82 THR H H 7.133 0.005 1 758 389 82 THR HA H 3.733 0.009 1 759 389 82 THR HB H 3.759 0.008 1 760 389 82 THR HG2 H 1.105 0.003 1 761 389 82 THR C C 181.155 0.75 1 762 389 82 THR CA C 61.844 0.011 1 763 389 82 THR CB C 70.285 0.054 1 764 389 82 THR CG2 C 21.291 0.006 1 765 389 82 THR N N 117.899 0.082 1 766 390 83 PRO HA H 4.192 0.007 1 767 390 83 PRO HB2 H 1.791 0.004 2 768 390 83 PRO HB3 H 1.333 0.002 2 769 390 83 PRO HG2 H 0.80 0.014 2 770 390 83 PRO HG3 H 0.80 0.014 2 771 390 83 PRO HD2 H 2.973 0.006 2 772 390 83 PRO HD3 H 2.973 0.006 2 773 390 83 PRO CA C 61.509 0.009 1 774 390 83 PRO CB C 30.773 0.01 1 775 391 84 PRO HA H 4.22 0.012 1 776 391 84 PRO HB2 H 2.096 0.005 2 777 391 84 PRO HB3 H 1.759 0.018 2 778 391 84 PRO HG2 H 1.329 0.002 2 779 391 84 PRO HG3 H 1.329 0.002 2 780 391 84 PRO HD2 H 3.544 0.01 2 781 391 84 PRO HD3 H 3.369 0.006 2 782 391 84 PRO C C 175.949 0.75 1 783 391 84 PRO CA C 63.032 0.034 1 784 391 84 PRO CB C 31.983 0.065 1 785 391 84 PRO CD C 50.541 0.019 1 786 392 85 GLY H H 8.367 0.012 1 787 392 85 GLY HA2 H 3.647 0.011 2 788 392 85 GLY HA3 H 3.822 0.002 2 789 392 85 GLY C C 179.223 0.007 1 790 392 85 GLY CA C 45.359 0.047 1 791 392 85 GLY N N 109.626 0.063 1 792 393 86 SER H H 8.022 0.009 1 793 393 86 SER HA H 4.354 0.004 1 794 393 86 SER HB2 H 3.691 0.007 2 795 393 86 SER HB3 H 3.691 0.007 2 796 393 86 SER C C 179.569 0.001 1 797 393 86 SER CA C 58.521 0.029 1 798 393 86 SER CB C 63.913 0.222 1 799 393 86 SER N N 115.675 0.081 1 800 394 87 THR H H 7.681 0.009 1 801 394 87 THR HB H 4.021 0.002 1 802 394 87 THR HG2 H 0.989 0.003 1 803 394 87 THR C C 181.882 0.75 1 804 394 87 THR CA C 70.731 0.104 1 805 394 87 THR CB C 63.135 0.037 1 806 394 87 THR CG2 C 21.825 0.061 1 807 394 87 THR N N 120.449 0.091 1 stop_ save_