data_16194 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of the third qRRM domain of hnRNP F in complex with a AGGGAU G-tract RNA ; _BMRB_accession_number 16194 _BMRB_flat_file_name bmr16194.str _Entry_type new _Submission_date 2009-03-02 _Accession_date 2009-03-02 _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 Allain Frederic H.T. . 2 Dominguez Cyril . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 598 "13C chemical shifts" 283 "15N chemical shifts" 114 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-07-09 update BMRB 'complete entry citation' 2010-06-15 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural basis of G-tract recognition and encaging by hnRNP F quasi-RRMs.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20526337 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Dominguez Cyril . . 2 Fisette Jean-Francois . . 3 Chabot Benoit . . 4 Allain Frederic H.T. . stop_ _Journal_abbreviation 'Nat. Struct. Mol. Biol.' _Journal_name_full 'Nature structural and molecular biology' _Journal_volume 17 _Journal_issue 7 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 853 _Page_last 861 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'hnRNP F/AGGGAU G-tract RNA complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'AGGGAU G-tract RNA' $entity_1 'third qRRM of hnRNP F' $entity_2 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_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common 'AGGGAU G-tract RNA' _Molecular_mass 1955.251 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 6 _Mol_residue_sequence AGGGAU loop_ _Residue_seq_code _Residue_label 1 A 2 G 3 G 4 G 5 A 6 U stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'third qRRM of hnRNP F' _Molecular_mass 11508.767 _Mol_thiol_state 'all free' loop_ _Biological_function 'regulation of alternative splicing' 'regulation of polyadenylation' stop_ _Details . _Residue_count 105 _Mol_residue_sequence ; GDSEFTVQSTTGHCVHMRGL PYKATENDIYNFFSPLNPVR VHIEIGPDGRVTGEADVEFA THEEAVAAMSKDRANMQHRY IELFLNSTTGASNGAYSSQV MQGMG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 277 GLY 2 278 ASP 3 279 SER 4 280 GLU 5 281 PHE 6 282 THR 7 283 VAL 8 284 GLN 9 285 SER 10 286 THR 11 287 THR 12 288 GLY 13 289 HIS 14 290 CYS 15 291 VAL 16 292 HIS 17 293 MET 18 294 ARG 19 295 GLY 20 296 LEU 21 297 PRO 22 298 TYR 23 299 LYS 24 300 ALA 25 301 THR 26 302 GLU 27 303 ASN 28 304 ASP 29 305 ILE 30 306 TYR 31 307 ASN 32 308 PHE 33 309 PHE 34 310 SER 35 311 PRO 36 312 LEU 37 313 ASN 38 314 PRO 39 315 VAL 40 316 ARG 41 317 VAL 42 318 HIS 43 319 ILE 44 320 GLU 45 321 ILE 46 322 GLY 47 323 PRO 48 324 ASP 49 325 GLY 50 326 ARG 51 327 VAL 52 328 THR 53 329 GLY 54 330 GLU 55 331 ALA 56 332 ASP 57 333 VAL 58 334 GLU 59 335 PHE 60 336 ALA 61 337 THR 62 338 HIS 63 339 GLU 64 340 GLU 65 341 ALA 66 342 VAL 67 343 ALA 68 344 ALA 69 345 MET 70 346 SER 71 347 LYS 72 348 ASP 73 349 ARG 74 350 ALA 75 351 ASN 76 352 MET 77 353 GLN 78 354 HIS 79 355 ARG 80 356 TYR 81 357 ILE 82 358 GLU 83 359 LEU 84 360 PHE 85 361 LEU 86 362 ASN 87 363 SER 88 364 THR 89 365 THR 90 366 GLY 91 367 ALA 92 368 SER 93 369 ASN 94 370 GLY 95 371 ALA 96 372 TYR 97 373 SER 98 374 SER 99 375 GLN 100 376 VAL 101 377 MET 102 378 GLN 103 379 GLY 104 380 MET 105 381 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-01 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 2HGN "Nmr Structure Of The Third Qrrm Domain Of Human Hnrnp F" 100.00 139 100.00 100.00 1.18e-71 PDB 2KG1 "Structure Of The Third Qrrm Domain Of Hnrnp F In Complex With A Agggau G-Tract Rna" 100.00 139 100.00 100.00 1.18e-71 DBJ BAM09220 "heterogenous nuclear ribonucleoprotein F, partial [Ursus thibetanus japonicus]" 91.43 150 98.96 98.96 1.56e-63 GB AAH23162 "Hnrpf protein, partial [Mus musculus]" 100.00 188 100.00 100.00 2.68e-71 GB AEB61257 "heterogeneous nuclear ribonucleoprotein F-like protein, partial [Equus caballus]" 76.19 113 98.75 100.00 9.94e-51 GB EGW08331 "Heterogeneous nuclear ribonucleoprotein F [Cricetulus griseus]" 100.00 185 100.00 100.00 3.26e-71 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens $entity_2 Human 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 $entity_1 'chemical synthesis' . . . . . $entity_2 'recombinant technology' . . . 'BL21 Codon Plus' . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity_1 . mM 1 1.5 'natural abundance' $entity_2 . mM 1 1.5 '[U-13C; U-15N]' NaH2PO4 20 mM . . 'natural abundance' NaCl 50 mM . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.113 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Herrmann, Guntert and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 293 . K pH 7.0 . pH pressure 1 . atm 'ionic strength' 70 . mM 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 water H 1 protons ppm 4.7 internal direct . . . 1.0 water C 13 protons ppm 4 internal indirect . . . . water N 15 protons ppm 4.7 internal indirect . . . . 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'AGGGAU G-tract RNA' _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 1 1 A H1' H 5.949 0.05 1 2 1 1 A H2 H 7.925 0.05 1 3 1 1 A H2' H 4.735 0.05 1 4 1 1 A H3' H 4.729 0.05 1 5 1 1 A H4' H 4.383 0.05 1 6 1 1 A H5' H 3.779 0.05 1 7 1 1 A H5'' H 3.779 0.05 1 8 1 1 A H8 H 8.091 0.05 1 9 2 2 G H1 H 11.206 0.05 1 10 2 2 G H1' H 5.595 0.05 1 11 2 2 G H2' H 4.554 0.05 1 12 2 2 G H3' H 4.676 0.05 1 13 2 2 G H4' H 4.340 0.05 1 14 2 2 G H5' H 4.210 0.05 1 15 2 2 G H5'' H 4.045 0.05 1 16 2 2 G H8 H 8.187 0.05 1 17 3 3 G H1 H 11.194 0.05 1 18 3 3 G H1' H 5.887 0.05 1 19 3 3 G H2' H 4.810 0.05 1 20 3 3 G H3' H 4.624 0.05 1 21 3 3 G H4' H 3.881 0.05 1 22 3 3 G H5' H 3.736 0.05 1 23 3 3 G H5'' H 2.953 0.05 1 24 3 3 G H8 H 8.043 0.05 1 25 4 4 G H1 H 10.953 0.05 1 26 4 4 G H1' H 5.845 0.05 1 27 4 4 G H2' H 4.985 0.05 1 28 4 4 G H3' H 5.114 0.05 1 29 4 4 G H4' H 4.336 0.05 1 30 4 4 G H5' H 4.073 0.05 1 31 4 4 G H5'' H 4.073 0.05 1 32 4 4 G H8 H 7.857 0.05 1 33 5 5 A H1' H 5.881 0.05 1 34 5 5 A H2 H 7.842 0.05 1 35 5 5 A H2' H 4.622 0.05 1 36 5 5 A H3' H 4.581 0.05 1 37 5 5 A H4' H 4.422 0.05 1 38 5 5 A H5' H 4.217 0.05 1 39 5 5 A H5'' H 4.150 0.05 1 40 5 5 A H8 H 8.228 0.05 1 41 6 6 U H1' H 5.522 0.05 1 42 6 6 U H2' H 4.017 0.05 1 43 6 6 U H3' H 4.077 0.05 1 44 6 6 U H4' H 4.154 0.05 1 45 6 6 U H5 H 5.434 0.05 1 46 6 6 U H5' H 4.605 0.05 1 47 6 6 U H5'' H 4.605 0.05 1 48 6 6 U H6 H 7.491 0.05 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'third qRRM of hnRNP F' _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 1 277 1 GLY H H 8.442 0.05 1 2 277 1 GLY HA2 H 3.839 0.05 2 3 277 1 GLY HA3 H 3.839 0.05 2 4 277 1 GLY N N 110.992 0.2 1 5 278 2 ASP H H 8.088 0.05 1 6 278 2 ASP HA H 4.473 0.05 1 7 278 2 ASP HB2 H 2.530 0.05 2 8 278 2 ASP HB3 H 2.530 0.05 2 9 278 2 ASP N N 120.576 0.2 1 10 279 3 SER H H 8.162 0.05 1 11 279 3 SER HA H 4.279 0.05 1 12 279 3 SER HB2 H 3.737 0.05 2 13 279 3 SER HB3 H 3.737 0.05 2 14 279 3 SER CA C 58.453 0.2 1 15 279 3 SER CB C 63.742 0.2 1 16 279 3 SER N N 115.819 0.2 1 17 280 4 GLU H H 8.330 0.05 1 18 280 4 GLU HA H 4.047 0.05 1 19 280 4 GLU HB2 H 1.732 0.05 2 20 280 4 GLU HB3 H 1.732 0.05 2 21 280 4 GLU HG2 H 1.952 0.05 2 22 280 4 GLU HG3 H 1.952 0.05 2 23 280 4 GLU CA C 56.835 0.2 1 24 280 4 GLU CB C 30.062 0.2 1 25 280 4 GLU CG C 36.290 0.2 1 26 280 4 GLU N N 122.396 0.2 1 27 281 5 PHE H H 8.040 0.05 1 28 281 5 PHE HA H 4.515 0.05 1 29 281 5 PHE HB2 H 2.989 0.05 2 30 281 5 PHE HB3 H 2.821 0.05 2 31 281 5 PHE HD1 H 7.056 0.05 3 32 281 5 PHE HD2 H 7.056 0.05 3 33 281 5 PHE HE1 H 7.146 0.05 3 34 281 5 PHE HE2 H 7.146 0.05 3 35 281 5 PHE CA C 57.621 0.2 1 36 281 5 PHE CB C 39.401 0.2 1 37 281 5 PHE CD1 C 131.624 0.2 3 38 281 5 PHE CE1 C 131.410 0.2 3 39 281 5 PHE N N 120.287 0.2 1 40 282 6 THR H H 7.875 0.05 1 41 282 6 THR HA H 4.159 0.05 1 42 282 6 THR HB H 3.955 0.05 1 43 282 6 THR CA C 61.653 0.2 1 44 282 6 THR CB C 70.004 0.2 1 45 282 6 THR N N 116.604 0.2 1 46 283 7 VAL H H 8.038 0.05 1 47 283 7 VAL HA H 3.905 0.05 1 48 283 7 VAL HB H 1.885 0.05 1 49 283 7 VAL HG1 H 0.786 0.05 1 50 283 7 VAL HG2 H 0.780 0.05 1 51 283 7 VAL CA C 62.153 0.2 1 52 283 7 VAL CB C 32.453 0.2 1 53 283 7 VAL CG1 C 20.702 0.2 2 54 283 7 VAL CG2 C 20.676 0.2 2 55 283 7 VAL N N 122.876 0.2 1 56 284 8 GLN H H 8.330 0.05 1 57 284 8 GLN HA H 4.175 0.05 1 58 284 8 GLN HB2 H 1.930 0.05 2 59 284 8 GLN HB3 H 1.792 0.05 2 60 284 8 GLN HE21 H 7.387 0.05 2 61 284 8 GLN HE22 H 6.739 0.05 2 62 284 8 GLN HG2 H 2.186 0.05 2 63 284 8 GLN HG3 H 2.186 0.05 2 64 284 8 GLN CA C 55.948 0.2 1 65 284 8 GLN CB C 29.358 0.2 1 66 284 8 GLN CG C 33.658 0.2 1 67 284 8 GLN N N 124.305 0.2 1 68 284 8 GLN NE2 N 112.424 0.2 1 69 285 9 SER H H 8.245 0.05 1 70 285 9 SER HA H 4.281 0.05 1 71 285 9 SER HB2 H 3.690 0.05 2 72 285 9 SER HB3 H 3.690 0.05 2 73 285 9 SER CA C 58.543 0.2 1 74 285 9 SER CB C 63.824 0.2 1 75 285 9 SER N N 117.700 0.2 1 76 286 10 THR H H 8.094 0.05 1 77 286 10 THR HA H 4.551 0.05 1 78 286 10 THR HB H 4.089 0.05 1 79 286 10 THR HG2 H 0.990 0.05 1 80 286 10 THR CA C 60.763 0.2 1 81 286 10 THR CB C 70.531 0.2 1 82 286 10 THR N N 115.391 0.2 1 83 287 11 THR H H 8.211 0.05 1 84 287 11 THR HA H 4.162 0.05 1 85 287 11 THR HB H 4.090 0.05 1 86 287 11 THR HG2 H 1.053 0.05 1 87 287 11 THR CA C 61.779 0.2 1 88 287 11 THR CB C 70.592 0.2 1 89 287 11 THR CG2 C 21.412 0.2 1 90 287 11 THR N N 114.466 0.2 1 91 288 12 GLY H H 8.022 0.05 1 92 288 12 GLY HA2 H 3.724 0.05 1 93 288 12 GLY HA3 H 3.546 0.05 2 94 288 12 GLY CA C 44.592 0.2 1 95 288 12 GLY N N 108.278 0.2 1 96 289 13 HIS H H 8.467 0.05 1 97 289 13 HIS HA H 5.000 0.05 1 98 289 13 HIS HB2 H 3.431 0.05 2 99 289 13 HIS HB3 H 2.614 0.05 2 100 289 13 HIS HD2 H 6.827 0.05 1 101 289 13 HIS CA C 53.961 0.2 1 102 289 13 HIS CB C 27.443 0.2 1 103 289 13 HIS CD2 C 123.517 0.2 1 104 289 13 HIS N N 121.596 0.2 1 105 290 14 CYS H H 7.773 0.05 1 106 290 14 CYS HA H 5.572 0.05 1 107 290 14 CYS HB2 H 2.942 0.05 2 108 290 14 CYS HB3 H 2.942 0.05 2 109 290 14 CYS CA C 57.190 0.2 1 110 290 14 CYS CB C 31.239 0.2 1 111 290 14 CYS N N 122.262 0.2 1 112 291 15 VAL H H 9.159 0.05 1 113 291 15 VAL HA H 4.685 0.05 1 114 291 15 VAL HB H 1.786 0.05 1 115 291 15 VAL HG1 H 0.945 0.05 1 116 291 15 VAL HG2 H 0.851 0.05 1 117 291 15 VAL CB C 36.067 0.2 1 118 291 15 VAL CG1 C 23.371 0.2 2 119 291 15 VAL CG2 C 22.487 0.2 2 120 291 15 VAL N N 121.872 0.2 1 121 292 16 HIS H H 9.562 0.05 1 122 292 16 HIS HA H 5.476 0.05 1 123 292 16 HIS HB2 H 3.134 0.05 2 124 292 16 HIS HB3 H 3.134 0.05 2 125 292 16 HIS HD2 H 6.579 0.05 1 126 292 16 HIS HE1 H 6.954 0.05 1 127 292 16 HIS CA C 54.287 0.2 1 128 292 16 HIS CB C 30.819 0.2 1 129 292 16 HIS CD2 C 119.070 0.2 1 130 292 16 HIS CE1 C 132.148 0.2 1 131 292 16 HIS N N 125.939 0.2 1 132 293 17 MET H H 8.812 0.05 1 133 293 17 MET HA H 5.249 0.05 1 134 293 17 MET HB2 H 1.643 0.05 2 135 293 17 MET HB3 H 1.466 0.05 2 136 293 17 MET HE H 1.274 0.05 1 137 293 17 MET HG2 H 2.232 0.05 2 138 293 17 MET HG3 H 2.034 0.05 2 139 293 17 MET CA C 53.635 0.2 1 140 293 17 MET CB C 37.630 0.2 1 141 293 17 MET CE C 18.597 0.2 1 142 293 17 MET CG C 31.300 0.2 1 143 293 17 MET N N 123.146 0.2 1 144 294 18 ARG H H 9.284 0.05 1 145 294 18 ARG HA H 4.698 0.05 1 146 294 18 ARG HB2 H 2.038 0.05 2 147 294 18 ARG HB3 H 1.936 0.05 2 148 294 18 ARG HE H 7.416 0.05 1 149 294 18 ARG CB C 36.802 0.2 1 150 294 18 ARG N N 120.087 0.2 1 151 294 18 ARG NE N 83.069 0.2 1 152 295 19 GLY H H 7.632 0.05 1 153 295 19 GLY HA2 H 4.557 0.05 2 154 295 19 GLY HA3 H 4.557 0.05 2 155 295 19 GLY N N 113.501 0.2 1 156 296 20 LEU H H 8.654 0.05 1 157 296 20 LEU HA H 3.646 0.05 1 158 296 20 LEU HB2 H 1.206 0.05 2 159 296 20 LEU HB3 H 1.060 0.05 2 160 296 20 LEU HD1 H 0.454 0.05 1 161 296 20 LEU HD2 H 0.405 0.05 1 162 296 20 LEU HG H 1.187 0.05 1 163 296 20 LEU CA C 54.662 0.2 1 164 296 20 LEU CB C 40.702 0.2 1 165 296 20 LEU CD1 C 26.012 0.2 2 166 296 20 LEU CD2 C 24.985 0.2 2 167 296 20 LEU CG C 28.227 0.2 1 168 296 20 LEU N N 120.142 0.2 1 169 297 21 PRO HA H 4.238 0.05 1 170 297 21 PRO HB2 H 2.107 0.05 2 171 297 21 PRO HB3 H 1.725 0.05 2 172 297 21 PRO HD2 H 3.662 0.05 2 173 297 21 PRO HD3 H 3.474 0.05 2 174 297 21 PRO HG2 H 1.872 0.05 2 175 297 21 PRO HG3 H 1.774 0.05 2 176 297 21 PRO CA C 62.992 0.2 1 177 297 21 PRO CB C 31.891 0.2 1 178 297 21 PRO CD C 50.897 0.2 1 179 297 21 PRO CG C 27.317 0.2 1 180 298 22 TYR H H 8.005 0.05 1 181 298 22 TYR HA H 4.362 0.05 1 182 298 22 TYR HB2 H 2.936 0.05 2 183 298 22 TYR HB3 H 2.549 0.05 2 184 298 22 TYR HD1 H 6.540 0.05 3 185 298 22 TYR HD2 H 6.540 0.05 3 186 298 22 TYR HE1 H 5.716 0.05 3 187 298 22 TYR HE2 H 5.716 0.05 3 188 298 22 TYR CA C 58.538 0.2 1 189 298 22 TYR CB C 37.144 0.2 1 190 298 22 TYR CD1 C 131.014 0.2 3 191 298 22 TYR CE1 C 116.719 0.2 3 192 298 22 TYR N N 124.138 0.2 1 193 299 23 LYS H H 8.428 0.05 1 194 299 23 LYS N N 115.298 0.2 1 195 300 24 ALA H H 7.632 0.05 1 196 300 24 ALA HA H 4.302 0.05 1 197 300 24 ALA HB H 1.232 0.05 1 198 300 24 ALA CA C 52.906 0.2 1 199 300 24 ALA CB C 19.577 0.2 1 200 300 24 ALA N N 122.832 0.2 1 201 301 25 THR H H 8.871 0.05 1 202 301 25 THR HA H 4.531 0.05 1 203 301 25 THR HB H 4.537 0.05 1 204 301 25 THR HG2 H 1.198 0.05 1 205 301 25 THR CA C 59.158 0.2 1 206 301 25 THR CB C 72.990 0.2 1 207 301 25 THR CG2 C 21.425 0.2 1 208 301 25 THR N N 110.997 0.2 1 209 302 26 GLU H H 9.244 0.05 1 210 302 26 GLU HA H 3.604 0.05 1 211 302 26 GLU HB2 H 2.015 0.05 2 212 302 26 GLU HB3 H 1.896 0.05 2 213 302 26 GLU HG2 H 2.208 0.05 2 214 302 26 GLU HG3 H 2.117 0.05 2 215 302 26 GLU CA C 61.371 0.2 1 216 302 26 GLU CB C 28.646 0.2 1 217 302 26 GLU CG C 37.253 0.2 1 218 302 26 GLU N N 120.093 0.2 1 219 303 27 ASN H H 8.279 0.05 1 220 303 27 ASN HA H 4.459 0.05 1 221 303 27 ASN HB2 H 2.621 0.05 2 222 303 27 ASN HB3 H 2.604 0.05 2 223 303 27 ASN HD21 H 7.643 0.05 2 224 303 27 ASN HD22 H 6.918 0.05 2 225 303 27 ASN CA C 56.769 0.2 1 226 303 27 ASN CB C 38.449 0.2 1 227 303 27 ASN N N 116.859 0.2 1 228 303 27 ASN ND2 N 113.326 0.2 1 229 304 28 ASP H H 7.653 0.05 1 230 304 28 ASP HA H 4.363 0.05 1 231 304 28 ASP HB2 H 2.963 0.05 2 232 304 28 ASP HB3 H 2.597 0.05 2 233 304 28 ASP CA C 57.822 0.2 1 234 304 28 ASP CB C 41.096 0.2 1 235 304 28 ASP N N 118.993 0.2 1 236 305 29 ILE H H 7.574 0.05 1 237 305 29 ILE HA H 3.330 0.05 1 238 305 29 ILE HB H 1.937 0.05 1 239 305 29 ILE HD1 H 0.413 0.05 1 240 305 29 ILE HG12 H 1.529 0.05 2 241 305 29 ILE HG13 H 0.414 0.05 2 242 305 29 ILE HG2 H 0.749 0.05 1 243 305 29 ILE CA C 66.013 0.2 1 244 305 29 ILE CB C 36.943 0.2 1 245 305 29 ILE CD1 C 13.987 0.2 1 246 305 29 ILE CG1 C 29.843 0.2 1 247 305 29 ILE CG2 C 18.336 0.2 1 248 305 29 ILE N N 122.239 0.2 1 249 306 30 TYR H H 8.393 0.05 1 250 306 30 TYR HA H 3.989 0.05 1 251 306 30 TYR HB2 H 3.030 0.05 2 252 306 30 TYR HB3 H 2.988 0.05 2 253 306 30 TYR HD1 H 7.191 0.05 3 254 306 30 TYR HD2 H 7.191 0.05 3 255 306 30 TYR HE1 H 6.683 0.05 3 256 306 30 TYR HE2 H 6.683 0.05 3 257 306 30 TYR CA C 63.599 0.2 1 258 306 30 TYR CB C 37.533 0.2 1 259 306 30 TYR CD1 C 132.692 0.2 3 260 306 30 TYR CE1 C 118.249 0.2 3 261 306 30 TYR N N 119.791 0.2 1 262 307 31 ASN H H 8.397 0.05 1 263 307 31 ASN HA H 4.397 0.05 1 264 307 31 ASN HB2 H 2.841 0.05 2 265 307 31 ASN HB3 H 2.801 0.05 2 266 307 31 ASN HD21 H 7.757 0.05 2 267 307 31 ASN HD22 H 6.761 0.05 2 268 307 31 ASN CA C 55.865 0.2 1 269 307 31 ASN CB C 37.928 0.2 1 270 307 31 ASN N N 117.662 0.2 1 271 307 31 ASN ND2 N 112.531 0.2 1 272 308 32 PHE H H 7.903 0.05 1 273 308 32 PHE HA H 4.023 0.05 1 274 308 32 PHE HB2 H 2.910 0.05 2 275 308 32 PHE HB3 H 2.910 0.05 2 276 308 32 PHE HD1 H 5.999 0.05 3 277 308 32 PHE HD2 H 5.999 0.05 3 278 308 32 PHE HE1 H 6.546 0.05 3 279 308 32 PHE HE2 H 6.546 0.05 3 280 308 32 PHE HZ H 7.058 0.05 1 281 308 32 PHE CA C 61.028 0.2 1 282 308 32 PHE CB C 39.428 0.2 1 283 308 32 PHE CE1 C 131.114 0.2 3 284 308 32 PHE CZ C 129.786 0.2 1 285 308 32 PHE N N 121.663 0.2 1 286 309 33 PHE H H 7.300 0.05 1 287 309 33 PHE HA H 4.353 0.05 1 288 309 33 PHE HB2 H 3.465 0.05 2 289 309 33 PHE HB3 H 2.546 0.05 2 290 309 33 PHE HD1 H 7.303 0.05 3 291 309 33 PHE HD2 H 7.303 0.05 3 292 309 33 PHE HE1 H 7.581 0.05 3 293 309 33 PHE HE2 H 7.581 0.05 3 294 309 33 PHE HZ H 7.101 0.05 1 295 309 33 PHE CA C 60.038 0.2 1 296 309 33 PHE CB C 40.241 0.2 1 297 309 33 PHE CD1 C 131.712 0.2 3 298 309 33 PHE CE1 C 132.072 0.2 3 299 309 33 PHE CZ C 128.652 0.2 1 300 309 33 PHE N N 110.899 0.2 1 301 310 34 SER H H 7.374 0.05 1 302 310 34 SER HA H 4.447 0.05 1 303 310 34 SER HB2 H 4.043 0.05 2 304 310 34 SER HB3 H 3.839 0.05 2 305 310 34 SER CA C 57.576 0.2 1 306 310 34 SER CB C 63.245 0.2 1 307 310 34 SER N N 117.142 0.2 1 308 311 35 PRO HA H 4.786 0.05 1 309 311 35 PRO HB2 H 2.254 0.05 2 310 311 35 PRO HB3 H 2.022 0.05 2 311 311 35 PRO HD2 H 3.413 0.05 2 312 311 35 PRO HD3 H 3.388 0.05 2 313 311 35 PRO HG2 H 1.871 0.05 2 314 311 35 PRO HG3 H 1.550 0.05 2 315 311 35 PRO CB C 33.624 0.2 1 316 311 35 PRO CD C 50.021 0.2 1 317 311 35 PRO CG C 24.385 0.2 1 318 312 36 LEU H H 8.909 0.05 1 319 312 36 LEU HA H 4.323 0.05 1 320 312 36 LEU HB2 H 1.874 0.05 2 321 312 36 LEU HB3 H 1.339 0.05 2 322 312 36 LEU HD1 H 0.668 0.05 1 323 312 36 LEU HD2 H 0.607 0.05 1 324 312 36 LEU HG H 1.600 0.05 1 325 312 36 LEU CA C 55.570 0.2 1 326 312 36 LEU CB C 42.628 0.2 1 327 312 36 LEU CD1 C 22.516 0.2 2 328 312 36 LEU CD2 C 25.859 0.2 2 329 312 36 LEU CG C 27.568 0.2 1 330 312 36 LEU N N 127.989 0.2 1 331 313 37 ASN H H 9.380 0.05 1 332 313 37 ASN HA H 5.240 0.05 1 333 313 37 ASN HB2 H 2.740 0.05 2 334 313 37 ASN HB3 H 2.610 0.05 2 335 313 37 ASN HD21 H 7.440 0.05 2 336 313 37 ASN HD22 H 6.615 0.05 2 337 313 37 ASN CA C 50.620 0.2 1 338 313 37 ASN CB C 40.466 0.2 1 339 313 37 ASN N N 119.653 0.2 1 340 313 37 ASN ND2 N 112.781 0.2 1 341 314 38 PRO HA H 3.648 0.05 1 342 314 38 PRO HB2 H 1.151 0.05 2 343 314 38 PRO HB3 H 1.092 0.05 2 344 314 38 PRO HD2 H 3.696 0.05 2 345 314 38 PRO HD3 H 3.590 0.05 2 346 314 38 PRO HG2 H 1.157 0.05 2 347 314 38 PRO HG3 H 1.006 0.05 2 348 314 38 PRO CA C 62.566 0.2 1 349 314 38 PRO CB C 31.684 0.2 1 350 314 38 PRO CD C 50.364 0.2 1 351 314 38 PRO CG C 26.634 0.2 1 352 315 39 VAL H H 8.605 0.05 1 353 315 39 VAL HA H 4.018 0.05 1 354 315 39 VAL HB H 1.794 0.05 1 355 315 39 VAL HG1 H 0.811 0.05 1 356 315 39 VAL HG2 H 0.659 0.05 1 357 315 39 VAL CA C 62.561 0.2 1 358 315 39 VAL CB C 32.536 0.2 1 359 315 39 VAL CG1 C 21.499 0.2 2 360 315 39 VAL CG2 C 19.901 0.2 2 361 315 39 VAL N N 117.480 0.2 1 362 316 40 ARG H H 7.008 0.05 1 363 316 40 ARG HA H 4.364 0.05 1 364 316 40 ARG HB2 H 1.555 0.05 2 365 316 40 ARG HB3 H 1.555 0.05 2 366 316 40 ARG HD2 H 3.052 0.05 2 367 316 40 ARG HD3 H 3.052 0.05 2 368 316 40 ARG HE H 7.325 0.05 1 369 316 40 ARG HG2 H 1.357 0.05 2 370 316 40 ARG HG3 H 1.223 0.05 2 371 316 40 ARG CA C 55.964 0.2 1 372 316 40 ARG CB C 34.037 0.2 1 373 316 40 ARG CD C 43.099 0.2 1 374 316 40 ARG CG C 27.270 0.2 1 375 316 40 ARG N N 116.854 0.2 1 376 316 40 ARG NE N 84.063 0.2 1 377 317 41 VAL H H 8.453 0.05 1 378 317 41 VAL HA H 4.328 0.05 1 379 317 41 VAL HB H 1.752 0.05 1 380 317 41 VAL HG1 H 0.628 0.05 1 381 317 41 VAL HG2 H 0.433 0.05 1 382 317 41 VAL CA C 61.250 0.2 1 383 317 41 VAL CB C 35.179 0.2 1 384 317 41 VAL CG1 C 22.159 0.2 2 385 317 41 VAL CG2 C 21.154 0.2 2 386 317 41 VAL N N 122.542 0.2 1 387 318 42 HIS H H 8.926 0.05 1 388 318 42 HIS HA H 4.883 0.05 1 389 318 42 HIS HB2 H 2.939 0.05 2 390 318 42 HIS HB3 H 2.939 0.05 2 391 318 42 HIS HD2 H 6.888 0.05 1 392 318 42 HIS CA C 54.523 0.2 1 393 318 42 HIS CB C 31.521 0.2 1 394 318 42 HIS CD2 C 119.874 0.2 1 395 318 42 HIS N N 125.152 0.2 1 396 319 43 ILE H H 8.726 0.05 1 397 319 43 ILE HA H 3.651 0.05 1 398 319 43 ILE HB H 1.495 0.05 1 399 319 43 ILE HD1 H 0.514 0.05 1 400 319 43 ILE HG12 H 1.307 0.05 2 401 319 43 ILE HG13 H 0.392 0.05 2 402 319 43 ILE HG2 H 0.708 0.05 1 403 319 43 ILE CA C 62.294 0.2 1 404 319 43 ILE CB C 38.373 0.2 1 405 319 43 ILE CD1 C 12.660 0.2 1 406 319 43 ILE CG1 C 28.965 0.2 1 407 319 43 ILE CG2 C 17.455 0.2 1 408 319 43 ILE N N 129.115 0.2 1 409 320 44 GLU H H 7.594 0.05 1 410 320 44 GLU HA H 3.926 0.05 1 411 320 44 GLU HB2 H 2.005 0.05 2 412 320 44 GLU HB3 H 1.722 0.05 2 413 320 44 GLU HG2 H 2.038 0.05 2 414 320 44 GLU HG3 H 1.950 0.05 2 415 320 44 GLU CA C 57.819 0.2 1 416 320 44 GLU CB C 30.405 0.2 1 417 320 44 GLU CG C 36.407 0.2 1 418 320 44 GLU N N 128.227 0.2 1 419 321 45 ILE H H 8.351 0.05 1 420 321 45 ILE HA H 4.376 0.05 1 421 321 45 ILE HB H 1.652 0.05 1 422 321 45 ILE HD1 H 0.641 0.05 1 423 321 45 ILE HG12 H 1.348 0.05 2 424 321 45 ILE HG13 H 1.121 0.05 2 425 321 45 ILE HG2 H 0.745 0.05 1 426 321 45 ILE CA C 59.389 0.2 1 427 321 45 ILE CB C 39.052 0.2 1 428 321 45 ILE CD1 C 11.856 0.2 1 429 321 45 ILE CG1 C 26.749 0.2 1 430 321 45 ILE CG2 C 17.121 0.2 1 431 321 45 ILE N N 126.166 0.2 1 432 322 46 GLY H H 8.730 0.05 1 433 322 46 GLY HA2 H 4.316 0.05 1 434 322 46 GLY HA3 H 3.950 0.05 2 435 322 46 GLY CA C 44.570 0.2 1 436 322 46 GLY N N 113.632 0.2 1 437 323 47 PRO HA H 4.255 0.05 1 438 323 47 PRO HB2 H 2.218 0.05 2 439 323 47 PRO HB3 H 1.869 0.05 2 440 323 47 PRO HD2 H 3.586 0.05 2 441 323 47 PRO HD3 H 3.544 0.05 2 442 323 47 PRO HG2 H 1.898 0.05 2 443 323 47 PRO HG3 H 1.898 0.05 2 444 323 47 PRO CA C 64.718 0.2 1 445 323 47 PRO CB C 31.791 0.2 1 446 323 47 PRO CD C 49.739 0.2 1 447 323 47 PRO CG C 27.292 0.2 1 448 324 48 ASP H H 7.880 0.05 1 449 324 48 ASP HA H 4.382 0.05 1 450 324 48 ASP HB2 H 2.820 0.05 2 451 324 48 ASP HB3 H 2.471 0.05 2 452 324 48 ASP CA C 52.549 0.2 1 453 324 48 ASP CB C 39.899 0.2 1 454 324 48 ASP N N 115.214 0.2 1 455 325 49 GLY H H 8.128 0.05 1 456 325 49 GLY HA2 H 4.045 0.05 1 457 325 49 GLY HA3 H 3.399 0.05 2 458 325 49 GLY CA C 45.272 0.2 1 459 325 49 GLY N N 107.828 0.2 1 460 326 50 ARG H H 7.445 0.05 1 461 326 50 ARG HA H 4.390 0.05 1 462 326 50 ARG HB2 H 1.672 0.05 2 463 326 50 ARG HB3 H 1.672 0.05 2 464 326 50 ARG HD2 H 2.780 0.05 2 465 326 50 ARG HD3 H 2.613 0.05 2 466 326 50 ARG HE H 7.124 0.05 1 467 326 50 ARG HG2 H 1.256 0.05 2 468 326 50 ARG HG3 H 1.256 0.05 2 469 326 50 ARG CB C 31.540 0.2 1 470 326 50 ARG CD C 43.285 0.2 1 471 326 50 ARG CG C 26.897 0.2 1 472 326 50 ARG N N 119.420 0.2 1 473 326 50 ARG NE N 84.694 0.2 1 474 327 51 VAL H H 8.244 0.05 1 475 327 51 VAL HA H 4.388 0.05 1 476 327 51 VAL HB H 2.343 0.05 1 477 327 51 VAL HG1 H 0.934 0.05 1 478 327 51 VAL HG2 H 1.008 0.05 1 479 327 51 VAL CG1 C 21.460 0.2 2 480 327 51 VAL CG2 C 20.100 0.2 2 481 327 51 VAL N N 121.472 0.2 1 482 328 52 THR H H 7.710 0.05 1 483 328 52 THR HA H 4.368 0.05 1 484 328 52 THR HB H 4.405 0.05 1 485 328 52 THR HG2 H 1.040 0.05 1 486 328 52 THR CA C 61.453 0.2 1 487 328 52 THR CB C 70.300 0.2 1 488 328 52 THR CG2 C 21.337 0.2 1 489 328 52 THR N N 112.035 0.2 1 490 329 53 GLY H H 8.915 0.05 1 491 329 53 GLY HA2 H 3.800 0.05 2 492 329 53 GLY HA3 H 3.800 0.05 2 493 329 53 GLY CA C 45.242 0.2 1 494 329 53 GLY N N 110.463 0.2 1 495 330 54 GLU H H 7.788 0.05 1 496 330 54 GLU HA H 5.213 0.05 1 497 330 54 GLU HB2 H 1.996 0.05 2 498 330 54 GLU HB3 H 1.783 0.05 2 499 330 54 GLU CA C 54.397 0.2 1 500 330 54 GLU CB C 32.447 0.2 1 501 330 54 GLU N N 118.991 0.2 1 502 331 55 ALA H H 8.051 0.05 1 503 331 55 ALA HA H 4.854 0.05 1 504 331 55 ALA HB H 1.057 0.05 1 505 331 55 ALA CA C 51.419 0.2 1 506 331 55 ALA CB C 23.936 0.2 1 507 331 55 ALA N N 120.161 0.2 1 508 332 56 ASP H H 8.787 0.05 1 509 332 56 ASP HA H 5.551 0.05 1 510 332 56 ASP HB2 H 2.469 0.05 2 511 332 56 ASP HB3 H 2.355 0.05 2 512 332 56 ASP CA C 54.407 0.2 1 513 332 56 ASP CB C 46.081 0.2 1 514 332 56 ASP N N 118.092 0.2 1 515 333 57 VAL H H 8.861 0.05 1 516 333 57 VAL HA H 4.441 0.05 1 517 333 57 VAL HB H 1.655 0.05 1 518 333 57 VAL HG1 H 0.696 0.05 1 519 333 57 VAL HG2 H 0.250 0.05 1 520 333 57 VAL CA C 60.434 0.2 1 521 333 57 VAL CB C 34.282 0.2 1 522 333 57 VAL CG1 C 21.955 0.2 2 523 333 57 VAL CG2 C 22.591 0.2 2 524 333 57 VAL N N 120.584 0.2 1 525 334 58 GLU H H 8.325 0.05 1 526 334 58 GLU HA H 4.834 0.05 1 527 334 58 GLU HB2 H 1.881 0.05 2 528 334 58 GLU HB3 H 1.571 0.05 2 529 334 58 GLU HG2 H 2.114 0.05 2 530 334 58 GLU HG3 H 2.114 0.05 2 531 334 58 GLU CA C 54.406 0.2 1 532 334 58 GLU CB C 33.596 0.2 1 533 334 58 GLU CG C 36.717 0.2 1 534 334 58 GLU N N 124.604 0.2 1 535 335 59 PHE H H 9.008 0.05 1 536 335 59 PHE HA H 4.667 0.05 1 537 335 59 PHE HB2 H 3.146 0.05 2 538 335 59 PHE HB3 H 2.590 0.05 2 539 335 59 PHE HD1 H 6.918 0.05 3 540 335 59 PHE HD2 H 6.918 0.05 3 541 335 59 PHE HE1 H 6.419 0.05 3 542 335 59 PHE HE2 H 6.419 0.05 3 543 335 59 PHE HZ H 5.531 0.05 1 544 335 59 PHE CB C 43.170 0.2 1 545 335 59 PHE CD1 C 131.343 0.2 3 546 335 59 PHE CE1 C 130.475 0.2 3 547 335 59 PHE CZ C 128.703 0.2 1 548 335 59 PHE N N 121.314 0.2 1 549 336 60 ALA H H 9.660 0.05 1 550 336 60 ALA HA H 4.166 0.05 1 551 336 60 ALA HB H 1.576 0.05 1 552 336 60 ALA CA C 55.471 0.2 1 553 336 60 ALA CB C 19.283 0.2 1 554 336 60 ALA N N 123.299 0.2 1 555 337 61 THR H H 7.177 0.05 1 556 337 61 THR HA H 4.364 0.05 1 557 337 61 THR HB H 4.323 0.05 1 558 337 61 THR HG2 H 1.085 0.05 1 559 337 61 THR CA C 59.472 0.2 1 560 337 61 THR CB C 73.609 0.2 1 561 337 61 THR CG2 C 21.558 0.2 1 562 337 61 THR N N 102.251 0.2 1 563 338 62 HIS H H 8.326 0.05 1 564 338 62 HIS HA H 3.832 0.05 1 565 338 62 HIS HB2 H 2.598 0.05 2 566 338 62 HIS HB3 H 2.598 0.05 2 567 338 62 HIS HD2 H 6.750 0.05 1 568 338 62 HIS HE1 H 7.446 0.05 1 569 338 62 HIS CA C 58.884 0.2 1 570 338 62 HIS CB C 30.789 0.2 1 571 338 62 HIS CD2 C 118.060 0.2 1 572 338 62 HIS CE1 C 137.628 0.2 1 573 338 62 HIS N N 120.147 0.2 1 574 339 63 GLU H H 8.842 0.05 1 575 339 63 GLU HA H 3.416 0.05 1 576 339 63 GLU HB2 H 1.914 0.05 2 577 339 63 GLU HB3 H 1.676 0.05 2 578 339 63 GLU HG2 H 2.360 0.05 2 579 339 63 GLU HG3 H 2.074 0.05 2 580 339 63 GLU CA C 60.709 0.2 1 581 339 63 GLU CB C 28.235 0.2 1 582 339 63 GLU CG C 37.527 0.2 1 583 339 63 GLU N N 115.608 0.2 1 584 340 64 GLU H H 7.379 0.05 1 585 340 64 GLU HA H 3.567 0.05 1 586 340 64 GLU HB2 H 1.868 0.05 2 587 340 64 GLU HB3 H 1.711 0.05 2 588 340 64 GLU HG2 H 1.978 0.05 2 589 340 64 GLU HG3 H 1.978 0.05 2 590 340 64 GLU CA C 59.099 0.2 1 591 340 64 GLU CB C 31.572 0.2 1 592 340 64 GLU CG C 38.131 0.2 1 593 340 64 GLU N N 119.388 0.2 1 594 341 65 ALA H H 6.687 0.05 1 595 341 65 ALA HA H 2.960 0.05 1 596 341 65 ALA HB H 1.027 0.05 1 597 341 65 ALA CA C 54.788 0.2 1 598 341 65 ALA CB C 16.893 0.2 1 599 341 65 ALA N N 121.180 0.2 1 600 342 66 VAL H H 7.836 0.05 1 601 342 66 VAL HA H 3.054 0.05 1 602 342 66 VAL HB H 1.511 0.05 1 603 342 66 VAL HG1 H 0.253 0.05 1 604 342 66 VAL HG2 H 0.602 0.05 1 605 342 66 VAL CA C 66.421 0.2 1 606 342 66 VAL CB C 31.579 0.2 1 607 342 66 VAL CG1 C 22.638 0.2 2 608 342 66 VAL CG2 C 20.944 0.2 2 609 342 66 VAL N N 114.691 0.2 1 610 343 67 ALA H H 7.686 0.05 1 611 343 67 ALA HA H 3.842 0.05 1 612 343 67 ALA HB H 1.246 0.05 1 613 343 67 ALA CA C 54.802 0.2 1 614 343 67 ALA CB C 17.567 0.2 1 615 343 67 ALA N N 124.016 0.2 1 616 344 68 ALA H H 7.780 0.05 1 617 344 68 ALA HA H 3.603 0.05 1 618 344 68 ALA HB H 0.933 0.05 1 619 344 68 ALA CA C 54.642 0.2 1 620 344 68 ALA CB C 18.731 0.2 1 621 344 68 ALA N N 123.686 0.2 1 622 345 69 MET H H 7.105 0.05 1 623 345 69 MET HA H 4.420 0.05 1 624 345 69 MET HB2 H 2.294 0.05 2 625 345 69 MET HB3 H 1.983 0.05 2 626 345 69 MET HE H 1.673 0.05 1 627 345 69 MET HG2 H 2.590 0.05 2 628 345 69 MET HG3 H 2.590 0.05 2 629 345 69 MET CB C 27.976 0.2 1 630 345 69 MET CE C 15.055 0.2 1 631 345 69 MET CG C 31.904 0.2 1 632 345 69 MET N N 112.350 0.2 1 633 346 70 SER H H 7.830 0.05 1 634 346 70 SER HA H 4.200 0.05 1 635 346 70 SER HB2 H 3.898 0.05 2 636 346 70 SER HB3 H 3.898 0.05 2 637 346 70 SER CA C 61.188 0.2 1 638 346 70 SER CB C 62.594 0.2 1 639 346 70 SER N N 117.490 0.2 1 640 347 71 LYS H H 7.671 0.05 1 641 347 71 LYS HA H 4.045 0.05 1 642 347 71 LYS HD2 H 1.694 0.05 2 643 347 71 LYS HD3 H 1.694 0.05 2 644 347 71 LYS HE2 H 2.587 0.05 2 645 347 71 LYS HE3 H 2.366 0.05 2 646 347 71 LYS HG2 H 1.117 0.05 2 647 347 71 LYS HG3 H 0.986 0.05 2 648 347 71 LYS CA C 54.884 0.2 1 649 347 71 LYS CD C 31.716 0.2 1 650 347 71 LYS CE C 41.882 0.2 1 651 347 71 LYS CG C 27.483 0.2 1 652 347 71 LYS N N 120.295 0.2 1 653 348 72 ASP H H 7.335 0.05 1 654 348 72 ASP HA H 4.160 0.05 1 655 348 72 ASP HB2 H 2.687 0.05 2 656 348 72 ASP HB3 H 2.501 0.05 2 657 348 72 ASP CA C 57.173 0.2 1 658 348 72 ASP CB C 41.242 0.2 1 659 348 72 ASP N N 119.558 0.2 1 660 349 73 ARG H H 9.002 0.05 1 661 349 73 ARG HA H 3.605 0.05 1 662 349 73 ARG HB2 H 1.928 0.05 2 663 349 73 ARG HB3 H 1.928 0.05 2 664 349 73 ARG HD2 H 2.857 0.05 2 665 349 73 ARG HD3 H 2.857 0.05 2 666 349 73 ARG HE H 7.191 0.05 1 667 349 73 ARG HG2 H 1.463 0.05 2 668 349 73 ARG HG3 H 1.157 0.05 2 669 349 73 ARG CA C 58.353 0.2 1 670 349 73 ARG CB C 26.788 0.2 1 671 349 73 ARG CD C 42.874 0.2 1 672 349 73 ARG CG C 29.057 0.2 1 673 349 73 ARG N N 121.581 0.2 1 674 349 73 ARG NE N 84.614 0.2 1 675 350 74 ALA H H 8.111 0.05 1 676 350 74 ALA HA H 4.343 0.05 1 677 350 74 ALA HB H 1.366 0.05 1 678 350 74 ALA CA C 52.114 0.2 1 679 350 74 ALA CB C 19.133 0.2 1 680 350 74 ALA N N 121.525 0.2 1 681 351 75 ASN H H 8.307 0.05 1 682 351 75 ASN HA H 5.253 0.05 1 683 351 75 ASN HB2 H 2.475 0.05 2 684 351 75 ASN HB3 H 2.475 0.05 2 685 351 75 ASN HD21 H 6.770 0.05 2 686 351 75 ASN HD22 H 6.302 0.05 2 687 351 75 ASN CA C 53.486 0.2 1 688 351 75 ASN CB C 40.695 0.2 1 689 351 75 ASN N N 116.049 0.2 1 690 351 75 ASN ND2 N 111.438 0.2 1 691 352 76 MET H H 8.751 0.05 1 692 352 76 MET HA H 4.172 0.05 1 693 352 76 MET HB2 H 1.521 0.05 2 694 352 76 MET HB3 H 1.448 0.05 2 695 352 76 MET HE H 1.314 0.05 1 696 352 76 MET HG2 H 2.391 0.05 2 697 352 76 MET HG3 H 1.865 0.05 2 698 352 76 MET CA C 56.114 0.2 1 699 352 76 MET CB C 35.747 0.2 1 700 352 76 MET CE C 15.921 0.2 1 701 352 76 MET CG C 31.727 0.2 1 702 352 76 MET N N 121.113 0.2 1 703 353 77 GLN H H 9.030 0.05 1 704 353 77 GLN HA H 3.595 0.05 1 705 353 77 GLN HB2 H 1.944 0.05 2 706 353 77 GLN HB3 H 1.772 0.05 2 707 353 77 GLN HE21 H 7.415 0.05 2 708 353 77 GLN HE22 H 6.335 0.05 2 709 353 77 GLN HG2 H 2.352 0.05 2 710 353 77 GLN HG3 H 2.222 0.05 2 711 353 77 GLN CA C 58.020 0.2 1 712 353 77 GLN CB C 26.647 0.2 1 713 353 77 GLN CG C 33.766 0.2 1 714 353 77 GLN N N 122.185 0.2 1 715 353 77 GLN NE2 N 109.874 0.2 1 716 354 78 HIS H H 8.592 0.05 1 717 354 78 HIS HA H 4.546 0.05 1 718 354 78 HIS HB2 H 3.224 0.05 2 719 354 78 HIS HB3 H 2.851 0.05 2 720 354 78 HIS HD2 H 6.725 0.05 1 721 354 78 HIS CA C 56.753 0.2 1 722 354 78 HIS CB C 29.988 0.2 1 723 354 78 HIS CD2 C 118.108 0.2 1 724 354 78 HIS N N 120.141 0.2 1 725 355 79 ARG H H 7.491 0.05 1 726 355 79 ARG HA H 4.396 0.05 1 727 355 79 ARG HB2 H 1.662 0.05 2 728 355 79 ARG HB3 H 1.662 0.05 2 729 355 79 ARG HE H 6.337 0.05 1 730 355 79 ARG HG2 H 1.172 0.05 2 731 355 79 ARG HG3 H 1.172 0.05 2 732 355 79 ARG CA C 52.618 0.2 1 733 355 79 ARG N N 120.796 0.2 1 734 355 79 ARG NE N 81.990 0.2 1 735 356 80 TYR H H 8.007 0.05 1 736 356 80 TYR HA H 5.146 0.05 1 737 356 80 TYR HB2 H 2.763 0.05 2 738 356 80 TYR HB3 H 2.565 0.05 2 739 356 80 TYR HD1 H 6.573 0.05 3 740 356 80 TYR HD2 H 6.581 0.05 3 741 356 80 TYR HE1 H 6.083 0.05 3 742 356 80 TYR HE2 H 6.083 0.05 3 743 356 80 TYR CA C 55.511 0.2 1 744 356 80 TYR CB C 39.523 0.2 1 745 356 80 TYR CD1 C 132.653 0.2 3 746 356 80 TYR CE1 C 117.139 0.2 3 747 356 80 TYR N N 116.230 0.2 1 748 357 81 ILE H H 8.832 0.05 1 749 357 81 ILE HA H 4.443 0.05 1 750 357 81 ILE HB H 2.035 0.05 1 751 357 81 ILE HD1 H 0.185 0.05 1 752 357 81 ILE HG12 H 1.318 0.05 2 753 357 81 ILE HG13 H 0.084 0.05 2 754 357 81 ILE HG2 H 0.375 0.05 1 755 357 81 ILE CA C 57.000 0.2 1 756 357 81 ILE CB C 36.400 0.2 1 757 357 81 ILE CD1 C 8.775 0.2 1 758 357 81 ILE CG1 C 26.842 0.2 1 759 357 81 ILE CG2 C 18.177 0.2 1 760 357 81 ILE N N 124.976 0.2 1 761 358 82 GLU H H 8.607 0.05 1 762 358 82 GLU HA H 4.189 0.05 1 763 358 82 GLU HB2 H 2.205 0.05 2 764 358 82 GLU HB3 H 2.205 0.05 2 765 358 82 GLU HG2 H 2.182 0.05 2 766 358 82 GLU HG3 H 2.182 0.05 2 767 358 82 GLU CA C 55.300 0.2 1 768 358 82 GLU CB C 33.627 0.2 1 769 358 82 GLU CG C 36.446 0.2 1 770 358 82 GLU N N 125.577 0.2 1 771 359 83 LEU H H 8.301 0.05 1 772 359 83 LEU HA H 5.439 0.05 1 773 359 83 LEU HB2 H 1.408 0.05 2 774 359 83 LEU HB3 H 1.353 0.05 2 775 359 83 LEU HD1 H 0.975 0.05 1 776 359 83 LEU HD2 H 0.895 0.05 1 777 359 83 LEU HG H 1.679 0.05 1 778 359 83 LEU CA C 52.245 0.2 1 779 359 83 LEU CB C 45.227 0.2 1 780 359 83 LEU CD1 C 28.296 0.2 2 781 359 83 LEU CD2 C 26.247 0.2 2 782 359 83 LEU CG C 28.847 0.2 1 783 359 83 LEU N N 120.838 0.2 1 784 360 84 PHE H H 8.657 0.05 1 785 360 84 PHE HA H 4.584 0.05 1 786 360 84 PHE HB2 H 3.100 0.05 2 787 360 84 PHE HB3 H 2.689 0.05 2 788 360 84 PHE HD1 H 6.910 0.05 3 789 360 84 PHE HD2 H 6.910 0.05 3 790 360 84 PHE HE1 H 6.946 0.05 3 791 360 84 PHE HE2 H 6.946 0.05 3 792 360 84 PHE HZ H 6.581 0.05 1 793 360 84 PHE CA C 56.226 0.2 1 794 360 84 PHE CB C 42.164 0.2 1 795 360 84 PHE CD1 C 130.500 0.2 3 796 360 84 PHE N N 117.501 0.2 1 797 361 85 LEU H H 9.041 0.05 1 798 361 85 LEU HA H 4.352 0.05 1 799 361 85 LEU HB2 H 1.961 0.05 2 800 361 85 LEU HB3 H 1.590 0.05 2 801 361 85 LEU HD1 H 0.885 0.05 1 802 361 85 LEU HD2 H 0.675 0.05 1 803 361 85 LEU HG H 1.593 0.05 1 804 361 85 LEU CA C 56.122 0.2 1 805 361 85 LEU CB C 42.043 0.2 1 806 361 85 LEU CD1 C 26.878 0.2 2 807 361 85 LEU CD2 C 23.945 0.2 2 808 361 85 LEU CG C 27.300 0.2 1 809 361 85 LEU N N 127.551 0.2 1 810 362 86 ASN H H 8.807 0.05 1 811 362 86 ASN HA H 5.048 0.05 1 812 362 86 ASN HB2 H 2.660 0.05 2 813 362 86 ASN HB3 H 2.381 0.05 2 814 362 86 ASN HD21 H 7.515 0.05 2 815 362 86 ASN HD22 H 6.755 0.05 2 816 362 86 ASN CA C 52.099 0.2 1 817 362 86 ASN CB C 38.975 0.2 1 818 362 86 ASN N N 129.608 0.2 1 819 362 86 ASN ND2 N 111.886 0.2 1 820 363 87 SER H H 7.647 0.05 1 821 363 87 SER HA H 5.156 0.05 1 822 363 87 SER HB2 H 3.660 0.05 2 823 363 87 SER HB3 H 3.660 0.05 2 824 363 87 SER CA C 56.990 0.2 1 825 363 87 SER CB C 63.627 0.2 1 826 363 87 SER N N 114.565 0.2 1 827 364 88 THR H H 8.212 0.05 1 828 364 88 THR HA H 4.362 0.05 1 829 364 88 THR HB H 4.095 0.05 1 830 364 88 THR HG2 H 1.064 0.05 1 831 364 88 THR CA C 60.299 0.2 1 832 364 88 THR CB C 71.775 0.2 1 833 364 88 THR CG2 C 21.440 0.2 1 834 364 88 THR N N 119.499 0.2 1 835 365 89 THR H H 7.824 0.05 1 836 365 89 THR HA H 4.694 0.05 1 837 365 89 THR HB H 3.849 0.05 1 838 365 89 THR HG2 H 0.823 0.05 1 839 365 89 THR CB C 69.431 0.2 1 840 365 89 THR CG2 C 20.746 0.2 1 841 365 89 THR N N 112.847 0.2 1 842 366 90 GLY H H 8.121 0.05 1 843 366 90 GLY HA2 H 4.693 0.05 1 844 366 90 GLY HA3 H 3.862 0.05 2 845 366 90 GLY CA C 45.317 0.2 1 846 366 90 GLY N N 110.871 0.2 1 847 367 91 ALA H H 8.130 0.05 1 848 367 91 ALA HA H 4.252 0.05 1 849 367 91 ALA HB H 1.248 0.05 1 850 367 91 ALA CA C 52.387 0.2 1 851 367 91 ALA CB C 19.248 0.2 1 852 367 91 ALA N N 123.901 0.2 1 853 368 92 SER H H 8.283 0.05 1 854 368 92 SER HA H 4.697 0.05 1 855 368 92 SER HB2 H 3.749 0.05 2 856 368 92 SER HB3 H 3.749 0.05 2 857 368 92 SER CB C 63.754 0.2 1 858 368 92 SER N N 115.672 0.2 1 859 369 93 ASN H H 7.977 0.05 1 860 369 93 ASN HA H 4.374 0.05 1 861 369 93 ASN HB2 H 2.654 0.05 2 862 369 93 ASN HB3 H 2.654 0.05 2 863 369 93 ASN CA C 54.998 0.2 1 864 369 93 ASN CB C 40.774 0.2 1 865 369 93 ASN N N 125.765 0.2 1 866 370 94 GLY H H 8.199 0.05 1 867 370 94 GLY HA2 H 3.757 0.05 2 868 370 94 GLY HA3 H 3.757 0.05 2 869 370 94 GLY CA C 45.307 0.2 1 870 370 94 GLY N N 114.155 0.2 1 871 371 95 ALA H H 7.991 0.05 1 872 371 95 ALA HA H 4.127 0.05 1 873 371 95 ALA HB H 1.140 0.05 1 874 371 95 ALA CA C 52.587 0.2 1 875 371 95 ALA CB C 19.023 0.2 1 876 371 95 ALA N N 123.490 0.2 1 877 372 96 TYR H H 8.044 0.05 1 878 372 96 TYR HA H 4.425 0.05 1 879 372 96 TYR HB2 H 2.938 0.05 2 880 372 96 TYR HB3 H 2.827 0.05 2 881 372 96 TYR HD1 H 6.975 0.05 3 882 372 96 TYR HD2 H 6.975 0.05 3 883 372 96 TYR HE1 H 6.671 0.05 3 884 372 96 TYR HE2 H 6.671 0.05 3 885 372 96 TYR CA C 57.865 0.2 1 886 372 96 TYR CB C 38.574 0.2 1 887 372 96 TYR CD1 C 133.058 0.2 3 888 372 96 TYR CE1 C 117.909 0.2 3 889 372 96 TYR N N 119.123 0.2 1 890 373 97 SER H H 7.986 0.05 1 891 373 97 SER HA H 4.273 0.05 1 892 373 97 SER HB2 H 4.648 0.05 2 893 373 97 SER HB3 H 3.731 0.05 2 894 373 97 SER CA C 58.425 0.2 1 895 373 97 SER CB C 64.339 0.2 1 896 373 97 SER N N 117.116 0.2 1 897 374 98 SER H H 8.238 0.05 1 898 374 98 SER HA H 4.239 0.05 1 899 374 98 SER HB2 H 3.696 0.05 2 900 374 98 SER HB3 H 3.696 0.05 2 901 374 98 SER CA C 59.543 0.2 1 902 374 98 SER CB C 63.762 0.2 1 903 374 98 SER N N 117.723 0.2 1 904 375 99 GLN H H 8.208 0.05 1 905 375 99 GLN HA H 4.181 0.05 1 906 375 99 GLN HB2 H 1.952 0.05 2 907 375 99 GLN HB3 H 1.832 0.05 2 908 375 99 GLN HE21 H 7.386 0.05 2 909 375 99 GLN HE22 H 6.727 0.05 2 910 375 99 GLN HG2 H 2.207 0.05 2 911 375 99 GLN HG3 H 2.207 0.05 2 912 375 99 GLN CA C 55.948 0.2 1 913 375 99 GLN CB C 29.247 0.2 1 914 375 99 GLN CG C 33.706 0.2 1 915 375 99 GLN N N 121.958 0.2 1 916 375 99 GLN NE2 N 112.397 0.2 1 917 376 100 VAL H H 7.964 0.05 1 918 376 100 VAL HA H 3.902 0.05 1 919 376 100 VAL HB H 1.891 0.05 1 920 376 100 VAL HG1 H 0.772 0.05 1 921 376 100 VAL HG2 H 0.780 0.05 1 922 376 100 VAL CA C 62.456 0.2 1 923 376 100 VAL CB C 32.554 0.2 1 924 376 100 VAL CG1 C 20.829 0.2 2 925 376 100 VAL CG2 C 20.723 0.2 2 926 376 100 VAL N N 121.033 0.2 1 927 377 101 MET H H 8.277 0.05 1 928 377 101 MET HA H 4.334 0.05 1 929 377 101 MET HB2 H 1.944 0.05 2 930 377 101 MET HB3 H 1.870 0.05 2 931 377 101 MET HG2 H 2.462 0.05 2 932 377 101 MET HG3 H 2.373 0.05 2 933 377 101 MET CA C 55.410 0.2 1 934 377 101 MET CB C 32.698 0.2 1 935 377 101 MET CG C 31.981 0.2 1 936 377 101 MET N N 123.747 0.2 1 937 378 102 GLN H H 8.188 0.05 1 938 378 102 GLN N N 124.834 0.2 1 939 379 103 GLY H H 8.128 0.05 1 940 379 103 GLY N N 107.837 0.2 1 941 380 104 MET H H 8.191 0.05 1 942 380 104 MET N N 119.735 0.2 1 943 381 105 GLY H H 8.353 0.05 1 944 381 105 GLY HA2 H 3.824 0.05 2 945 381 105 GLY HA3 H 3.824 0.05 2 946 381 105 GLY CA C 45.272 0.2 1 947 381 105 GLY N N 110.091 0.2 1 stop_ save_