data_5822 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N and 13C assignments of single-stranded DNA binding domains from the 70 kDa subunit of Human Replication Protein A ; _BMRB_accession_number 5822 _BMRB_flat_file_name bmr5822.str _Entry_type original _Submission_date 2003-06-06 _Accession_date 2003-06-09 _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 Bhattacharya Shibani . . 2 Arunkumar Alphonse I. . 3 Sullivan Shannon L. . 4 Botuyan Maria-Victoria . . 5 Arrowsmith Cheryl H. . 6 Chazin Walter J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 701 "13C chemical shifts" 532 "15N chemical shifts" 129 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-02-11 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 5821 RPA70A 5823 RPA70AB stop_ _Original_release_date 2004-02-11 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: 1H, 13C and 15N assignments of single-stranded DNA binding domains from the 70 kDa subunit of Human Replication Protein A ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 14755166 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bhattacharya Shibani . . 2 Arunkumar Alphonse I. . 3 Sullivan Shannon L. . 4 Botuyan Maria-Victoria . . 5 Arrowsmith Cheryl H. . 6 Chazin Walter J. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 28 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 195 _Page_last 196 _Year 2004 _Details . loop_ _Keyword 'single-stranded DNA' OB-fold 'DNA replication' stop_ save_ ################################## # Molecular system description # ################################## save_system_RPA70B _Saveframe_category molecular_system _Mol_system_name 'RPA70(299-422) ssDNA binding domain' _Abbreviation_common RPA70B _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label RPA70(299-422) $RPA70B stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_RPA70B _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'single chain biopolymer' _Abbreviation_common RPA70B _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 124 _Mol_residue_sequence ; QFDFTGIDDLENKSKDSLVD IIGICKSYEDATKITVRSNN REVAKRNIYLMDTSGKVVTA TLWGEDADKFDGSRQPVLAI KGARVSDFGGRSLSVLSSST IIANPDIPEAYKLRGWFDAE GQAL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 299 GLN 2 300 PHE 3 301 ASP 4 302 PHE 5 303 THR 6 304 GLY 7 305 ILE 8 306 ASP 9 307 ASP 10 308 LEU 11 309 GLU 12 310 ASN 13 311 LYS 14 312 SER 15 313 LYS 16 314 ASP 17 315 SER 18 316 LEU 19 317 VAL 20 318 ASP 21 319 ILE 22 320 ILE 23 321 GLY 24 322 ILE 25 323 CYS 26 324 LYS 27 325 SER 28 326 TYR 29 327 GLU 30 328 ASP 31 329 ALA 32 330 THR 33 331 LYS 34 332 ILE 35 333 THR 36 334 VAL 37 335 ARG 38 336 SER 39 337 ASN 40 338 ASN 41 339 ARG 42 340 GLU 43 341 VAL 44 342 ALA 45 343 LYS 46 344 ARG 47 345 ASN 48 346 ILE 49 347 TYR 50 348 LEU 51 349 MET 52 350 ASP 53 351 THR 54 352 SER 55 353 GLY 56 354 LYS 57 355 VAL 58 356 VAL 59 357 THR 60 358 ALA 61 359 THR 62 360 LEU 63 361 TRP 64 362 GLY 65 363 GLU 66 364 ASP 67 365 ALA 68 366 ASP 69 367 LYS 70 368 PHE 71 369 ASP 72 370 GLY 73 371 SER 74 372 ARG 75 373 GLN 76 374 PRO 77 375 VAL 78 376 LEU 79 377 ALA 80 378 ILE 81 379 LYS 82 380 GLY 83 381 ALA 84 382 ARG 85 383 VAL 86 384 SER 87 385 ASP 88 386 PHE 89 387 GLY 90 388 GLY 91 389 ARG 92 390 SER 93 391 LEU 94 392 SER 95 393 VAL 96 394 LEU 97 395 SER 98 396 SER 99 397 SER 100 398 THR 101 399 ILE 102 400 ILE 103 401 ALA 104 402 ASN 105 403 PRO 106 404 ASP 107 405 ILE 108 406 PRO 109 407 GLU 110 408 ALA 111 409 TYR 112 410 LYS 113 411 LEU 114 412 ARG 115 413 GLY 116 414 TRP 117 415 PHE 118 416 ASP 119 417 ALA 120 418 GLU 121 419 GLY 122 420 GLN 123 421 ALA 124 422 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 BMRB 16754 RPA70A 100.00 252 100.00 100.00 2.64e-82 BMRB 5823 RPA70AB 100.00 242 100.00 100.00 2.00e-82 PDB 1FGU "Ssdna-Binding Domain Of The Large Subunit Of Replication Protein A" 100.00 252 100.00 100.00 2.64e-82 PDB 1JMC "Single Stranded Dna-Binding Domain Of Human Replication Protein A Bound To Single Stranded Dna, Rpa70 Subunit, Residues 183-420" 100.00 246 100.00 100.00 2.16e-82 DBJ BAD92969 "replication protein A1, 70kDa variant [Homo sapiens]" 100.00 630 99.19 99.19 9.49e-78 DBJ BAE02429 "unnamed protein product [Macaca fascicularis]" 59.68 268 98.65 100.00 2.72e-42 DBJ BAF82393 "unnamed protein product [Homo sapiens]" 100.00 616 100.00 100.00 1.12e-78 DBJ BAG10883 "replication protein A 70 kDa DNA-binding subunit [synthetic construct]" 100.00 616 99.19 99.19 6.30e-78 EMBL CAH92206 "hypothetical protein [Pongo abelii]" 100.00 616 100.00 100.00 1.27e-78 GB AAA36584 "replication protein A, 70-kDa subunit [Homo sapiens]" 100.00 616 100.00 100.00 1.12e-78 GB AAH18126 "Replication protein A1, 70kDa [Homo sapiens]" 100.00 616 100.00 100.00 1.12e-78 GB AAS94324 "replication protein A1, 70kDa [Homo sapiens]" 100.00 616 100.00 100.00 1.12e-78 GB ADR83314 "replication protein A1, 70kDa [synthetic construct]" 100.00 616 100.00 100.00 1.12e-78 GB AIC58576 "RPA1, partial [synthetic construct]" 100.00 616 100.00 100.00 1.16e-78 REF NP_001126290 "replication protein A 70 kDa DNA-binding subunit [Pongo abelii]" 100.00 616 100.00 100.00 1.27e-78 REF NP_001270333 "uncharacterized protein LOC101866286 [Macaca fascicularis]" 59.68 268 98.65 100.00 2.72e-42 REF NP_002936 "replication protein A 70 kDa DNA-binding subunit [Homo sapiens]" 100.00 616 100.00 100.00 1.12e-78 REF XP_002800290 "PREDICTED: replication protein A 70 kDa DNA-binding subunit-like, partial [Macaca mulatta]" 100.00 532 99.19 100.00 1.45e-78 REF XP_003277864 "PREDICTED: replication protein A 70 kDa DNA-binding subunit [Nomascus leucogenys]" 100.00 616 99.19 99.19 5.79e-78 SP P27694 "RecName: Full=Replication protein A 70 kDa DNA-binding subunit; Short=RP-A p70; AltName: Full=Replication factor A protein 1; S" 100.00 616 100.00 100.00 1.12e-78 SP Q5R7Q4 "RecName: Full=Replication protein A 70 kDa DNA-binding subunit; Short=RP-A p70; AltName: Full=Replication factor A protein 1; S" 100.00 616 100.00 100.00 1.27e-78 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $RPA70B 9606 Human 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 $RPA70B 'recombinant technology' . . . . . 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 $RPA70B . mM 0.5 1.0 '[U-15N; U-13C]' tris-d11 20 mM . . . 'Potassium Chloride' 50 mM . . . 'Magnesium Chloride' 10 mM . . . DTT 2 mM . . . 'Sodium Azide' 0.01 % . . . H2O 90 % . . . D2O 10 % . . . stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Saveframe_category software _Name FELIX _Version 2000 _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_CBCANH_1 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _Sample_label . save_ save_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_1H-15N_TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TOCSY' _Sample_label . save_ save_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _Sample_label . save_ save_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_H(CCO)NH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCO)NH-TOCSY _Sample_label . save_ save_(H)C(CO)NH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name (H)C(CO)NH-TOCSY _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCO)NH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name (H)C(CO)NH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.2 0.2 n/a temperature 298 1 K 'ionic strength' 0.080 . M stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.10132905 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.25144952 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $Sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name RPA70(299-422) _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 1 299 1 GLN C C 174.10 0.50 1 2 299 1 GLN CA C 54.73 0.50 1 3 299 1 GLN CB C 30.04 0.50 1 4 299 1 GLN CG C 33.95 0.50 1 5 299 1 GLN H H 7.78 0.02 1 6 299 1 GLN HA H 4.11 0.05 1 7 299 1 GLN HB2 H 1.67 0.05 2 8 299 1 GLN HB3 H 1.55 0.05 2 9 299 1 GLN HG2 H 1.99 0.05 1 10 299 1 GLN HG3 H 1.99 0.05 1 11 299 1 GLN HE21 H 6.63 0.05 2 12 299 1 GLN HE22 H 7.30 0.05 2 13 299 1 GLN N N 122.28 0.03 1 14 299 1 GLN NE2 N 112.78 0.03 1 15 300 2 PHE C C 174.62 0.50 1 16 300 2 PHE CA C 56.72 0.50 1 17 300 2 PHE CB C 41.98 0.50 1 18 300 2 PHE CD1 C 132.20 0.50 1 19 300 2 PHE CD2 C 132.20 0.50 1 20 300 2 PHE CE1 C 130.11 0.50 1 21 300 2 PHE CE2 C 130.11 0.50 1 22 300 2 PHE CZ C 128.61 0.50 1 23 300 2 PHE H H 8.12 0.02 1 24 300 2 PHE HA H 4.08 0.05 1 25 300 2 PHE HB2 H 1.66 0.05 2 26 300 2 PHE HB3 H 1.09 0.05 2 27 300 2 PHE HD1 H 6.71 0.05 1 28 300 2 PHE HD2 H 6.71 0.05 1 29 300 2 PHE HE1 H 6.93 0.05 1 30 300 2 PHE HE2 H 6.93 0.05 1 31 300 2 PHE HZ H 6.84 0.05 1 32 300 2 PHE N N 121.83 0.03 1 33 301 3 ASP C C 174.81 0.50 1 34 301 3 ASP CA C 51.97 0.50 1 35 301 3 ASP CB C 40.71 0.50 1 36 301 3 ASP H H 9.36 0.02 1 37 301 3 ASP HA H 4.62 0.05 1 38 301 3 ASP HB2 H 2.55 0.05 2 39 301 3 ASP HB3 H 2.17 0.05 2 40 301 3 ASP N N 125.54 0.03 1 41 302 4 PHE C C 177.62 0.50 1 42 302 4 PHE CA C 59.63 0.50 1 43 302 4 PHE CB C 38.86 0.50 1 44 302 4 PHE CD1 C 130.74 0.50 1 45 302 4 PHE CD2 C 130.74 0.50 1 46 302 4 PHE CE1 C 130.67 0.50 1 47 302 4 PHE CE2 C 130.67 0.50 1 48 302 4 PHE CZ C 129.17 0.50 1 49 302 4 PHE H H 8.17 0.02 1 50 302 4 PHE HA H 4.38 0.05 1 51 302 4 PHE HB2 H 3.07 0.05 2 52 302 4 PHE HB3 H 2.60 0.05 2 53 302 4 PHE HD1 H 6.80 0.05 1 54 302 4 PHE HD2 H 6.80 0.05 1 55 302 4 PHE HE1 H 6.56 0.05 1 56 302 4 PHE HE2 H 6.56 0.05 1 57 302 4 PHE HZ H 5.62 0.05 1 58 302 4 PHE N N 121.05 0.03 1 59 303 5 THR C C 174.30 0.50 1 60 303 5 THR CA C 62.42 0.50 1 61 303 5 THR CB C 70.80 0.50 1 62 303 5 THR CG2 C 22.13 0.50 1 63 303 5 THR H H 8.88 0.02 1 64 303 5 THR HA H 4.33 0.05 1 65 303 5 THR HB H 3.72 0.05 1 66 303 5 THR HG2 H 1.13 0.05 1 67 303 5 THR N N 122.59 0.03 1 68 304 6 GLY C C 174.81 0.50 1 69 304 6 GLY CA C 45.48 0.50 1 70 304 6 GLY H H 9.05 0.02 1 71 304 6 GLY HA2 H 3.76 0.05 1 72 304 6 GLY HA3 H 3.76 0.05 1 73 304 6 GLY N N 114.73 0.03 1 74 305 7 ILE C C 177.94 0.50 1 75 305 7 ILE CA C 65.55 0.50 1 76 305 7 ILE CB C 37.14 0.50 1 77 305 7 ILE CD1 C 13.05 0.50 1 78 305 7 ILE CG1 C 26.66 0.50 1 79 305 7 ILE CG2 C 17.98 0.50 1 80 305 7 ILE H H 8.65 0.02 1 81 305 7 ILE HA H 3.24 0.05 1 82 305 7 ILE HB H 1.50 0.05 1 83 305 7 ILE HD1 H 0.56 0.05 1 84 305 7 ILE HG12 H 1.19 0.05 2 85 305 7 ILE HG13 H 0.84 0.05 2 86 305 7 ILE HG2 H 0.64 0.05 1 87 305 7 ILE N N 124.66 0.03 1 88 306 8 ASP C C 179.22 0.50 1 89 306 8 ASP CA C 55.29 0.50 1 90 306 8 ASP CB C 39.27 0.50 1 91 306 8 ASP H H 8.91 0.02 1 92 306 8 ASP HA H 4.07 0.05 1 93 306 8 ASP HB2 H 2.58 0.05 1 94 306 8 ASP HB3 H 2.58 0.05 1 95 306 8 ASP N N 116.58 0.03 1 96 307 9 ASP C C 177.75 0.50 1 97 307 9 ASP CA C 53.95 0.50 1 98 307 9 ASP CB C 42.45 0.50 1 99 307 9 ASP H H 7.43 0.02 1 100 307 9 ASP HA H 4.74 0.05 1 101 307 9 ASP HB2 H 2.66 0.05 2 102 307 9 ASP HB3 H 2.37 0.05 2 103 307 9 ASP N N 119.74 0.03 1 104 308 10 LEU C C 178.81 0.50 1 105 308 10 LEU CA C 57.66 0.50 1 106 308 10 LEU CB C 41.94 0.50 1 107 308 10 LEU CD1 C 26.52 0.50 2 108 308 10 LEU CD2 C 23.66 0.50 2 109 308 10 LEU CG C 26.44 0.50 1 110 308 10 LEU H H 7.35 0.02 1 111 308 10 LEU HA H 3.69 0.05 1 112 308 10 LEU HB2 H 1.71 0.05 2 113 308 10 LEU HB3 H 1.14 0.05 2 114 308 10 LEU HD1 H 0.72 0.05 2 115 308 10 LEU HD2 H 0.58 0.05 2 116 308 10 LEU HG H 1.77 0.05 1 117 308 10 LEU N N 120.76 0.03 1 118 309 11 GLU C C 176.10 0.50 1 119 309 11 GLU CA C 58.44 0.50 1 120 309 11 GLU CB C 29.30 0.50 1 121 309 11 GLU CG C 35.65 0.50 1 122 309 11 GLU H H 7.95 0.02 1 123 309 11 GLU HA H 3.81 0.05 1 124 309 11 GLU HB2 H 1.87 0.05 2 125 309 11 GLU HB3 H 1.80 0.05 2 126 309 11 GLU HG2 H 2.07 0.05 2 127 309 11 GLU HG3 H 1.99 0.05 2 128 309 11 GLU N N 116.53 0.03 1 129 310 12 ASN C C 175.14 0.50 1 130 310 12 ASN CA C 53.08 0.50 1 131 310 12 ASN CB C 39.20 0.50 1 132 310 12 ASN H H 7.48 0.02 1 133 310 12 ASN HA H 4.66 0.05 1 134 310 12 ASN HB2 H 2.82 0.05 2 135 310 12 ASN HB3 H 2.60 0.05 2 136 310 12 ASN HD21 H 6.95 0.05 2 137 310 12 ASN HD22 H 7.80 0.05 2 138 310 12 ASN N N 114.32 0.03 1 139 310 12 ASN ND2 N 116.04 0.03 1 140 311 13 LYS C C 175.91 0.50 1 141 311 13 LYS CA C 52.91 0.50 1 142 311 13 LYS CB C 32.61 0.50 1 143 311 13 LYS H H 7.40 0.02 1 144 311 13 LYS HA H 4.46 0.05 1 145 311 13 LYS HB2 H 1.95 0.05 1 146 311 13 LYS HB3 H 1.95 0.05 1 147 311 13 LYS HG2 H 1.56 0.05 1 148 311 13 LYS HG3 H 1.56 0.05 1 149 311 13 LYS N N 120.11 0.03 1 150 312 14 SER C C 175.37 0.50 1 151 312 14 SER CA C 57.33 0.50 1 152 312 14 SER CB C 64.23 0.50 1 153 312 14 SER H H 8.41 0.02 1 154 312 14 SER HA H 4.60 0.05 1 155 312 14 SER HB2 H 3.74 0.05 1 156 312 14 SER HB3 H 3.74 0.05 1 157 312 14 SER N N 116.99 0.03 1 158 313 15 LYS C C 175.91 0.50 1 159 313 15 LYS CA C 58.52 0.50 1 160 313 15 LYS CB C 32.23 0.50 1 161 313 15 LYS CD C 29.39 0.50 1 162 313 15 LYS CE C 41.90 0.50 1 163 313 15 LYS CG C 24.60 0.50 1 164 313 15 LYS H H 8.53 0.02 1 165 313 15 LYS HA H 3.42 0.05 1 166 313 15 LYS HB2 H 1.43 0.05 2 167 313 15 LYS HB3 H 1.39 0.05 2 168 313 15 LYS HD2 H 1.33 0.05 1 169 313 15 LYS HD3 H 1.33 0.05 1 170 313 15 LYS HE2 H 2.78 0.05 1 171 313 15 LYS HE3 H 2.78 0.05 1 172 313 15 LYS HG2 H 1.20 0.05 2 173 313 15 LYS HG3 H 1.04 0.05 2 174 313 15 LYS N N 125.63 0.03 1 175 314 16 ASP C C 175.13 0.50 1 176 314 16 ASP CA C 57.38 0.50 1 177 314 16 ASP CB C 38.97 0.50 1 178 314 16 ASP H H 8.82 0.02 1 179 314 16 ASP HA H 4.10 0.05 1 180 314 16 ASP HB2 H 3.06 0.05 2 181 314 16 ASP HB3 H 2.73 0.05 2 182 314 16 ASP N N 119.40 0.03 1 183 315 17 SER C C 180.72 0.50 1 184 315 17 SER CA C 59.32 0.50 1 185 315 17 SER CB C 64.23 0.50 1 186 315 17 SER H H 7.64 0.02 1 187 315 17 SER HA H 4.23 0.05 1 188 315 17 SER HB2 H 3.73 0.05 1 189 315 17 SER HB3 H 3.73 0.05 1 190 315 17 SER N N 115.55 0.03 1 191 316 18 LEU C C 177.88 0.50 1 192 316 18 LEU CA C 53.56 0.50 1 193 316 18 LEU CB C 43.33 0.50 1 194 316 18 LEU CD1 C 26.90 0.50 2 195 316 18 LEU CD2 C 25.17 0.50 2 196 316 18 LEU CG C 26.90 0.50 1 197 316 18 LEU H H 8.25 0.02 1 198 316 18 LEU HA H 5.23 0.05 1 199 316 18 LEU HB2 H 1.55 0.05 2 200 316 18 LEU HB3 H 1.09 0.05 2 201 316 18 LEU HD1 H 0.68 0.05 2 202 316 18 LEU HD2 H 0.52 0.05 2 203 316 18 LEU HG H 1.48 0.05 1 204 316 18 LEU N N 122.48 0.03 1 205 317 19 VAL C C 172.98 0.50 1 206 317 19 VAL CA C 58.75 0.50 1 207 317 19 VAL CB C 36.62 0.50 1 208 317 19 VAL CG1 C 18.79 0.50 2 209 317 19 VAL CG2 C 22.33 0.50 2 210 317 19 VAL H H 9.06 0.02 1 211 317 19 VAL HA H 4.57 0.05 1 212 317 19 VAL HB H 1.91 0.05 1 213 317 19 VAL HG1 H 0.47 0.05 2 214 317 19 VAL HG2 H 0.60 0.05 2 215 317 19 VAL N N 116.54 0.03 1 216 318 20 ASP C C 175.61 0.50 1 217 318 20 ASP CA C 52.03 0.50 1 218 318 20 ASP CB C 41.17 0.50 1 219 318 20 ASP H H 8.58 0.02 1 220 318 20 ASP HA H 5.82 0.05 1 221 318 20 ASP HB2 H 2.49 0.05 1 222 318 20 ASP HB3 H 2.49 0.05 1 223 318 20 ASP N N 122.41 0.03 1 224 319 21 ILE C C 181.28 0.50 1 225 319 21 ILE CA C 57.72 0.50 1 226 319 21 ILE CB C 43.12 0.50 1 227 319 21 ILE CD1 C 12.64 0.50 1 228 319 21 ILE CG1 C 26.56 0.50 1 229 319 21 ILE CG2 C 17.43 0.50 1 230 319 21 ILE H H 8.90 0.02 1 231 319 21 ILE HA H 4.88 0.05 1 232 319 21 ILE HB H 1.51 0.05 1 233 319 21 ILE HD1 H 0.64 0.05 1 234 319 21 ILE HG12 H 1.19 0.05 2 235 319 21 ILE HG13 H 0.83 0.05 2 236 319 21 ILE HG2 H 0.40 0.05 1 237 319 21 ILE N N 119.41 0.03 1 238 320 22 ILE C C 181.12 0.50 1 239 320 22 ILE CA C 57.94 0.50 1 240 320 22 ILE CB C 40.42 0.50 1 241 320 22 ILE CD1 C 13.13 0.50 1 242 320 22 ILE CG1 C 27.96 0.50 1 243 320 22 ILE CG2 C 14.09 0.50 1 244 320 22 ILE H H 8.76 0.02 1 245 320 22 ILE HA H 5.06 0.05 1 246 320 22 ILE HB H 0.47 0.05 1 247 320 22 ILE HD1 H -0.32 0.05 1 248 320 22 ILE HG12 H 0.23 0.05 2 249 320 22 ILE HG13 H 0.90 0.05 2 250 320 22 ILE HG2 H 0.07 0.05 1 251 320 22 ILE N N 123.46 0.03 1 252 321 23 GLY C C 179.78 0.50 1 253 321 23 GLY CA C 45.08 0.50 1 254 321 23 GLY H H 7.87 0.02 1 255 321 23 GLY HA2 H 4.14 0.05 2 256 321 23 GLY HA3 H 3.14 0.05 2 257 321 23 GLY N N 107.42 0.03 1 258 322 24 ILE C C 175.96 0.50 1 259 322 24 ILE CA C 58.96 0.50 1 260 322 24 ILE CB C 39.78 0.50 1 261 322 24 ILE CD1 C 12.55 0.50 1 262 322 24 ILE CG1 C 27.80 0.50 1 263 322 24 ILE CG2 C 15.18 0.50 1 264 322 24 ILE H H 9.17 0.02 1 265 322 24 ILE HA H 4.17 0.05 1 266 322 24 ILE HB H 1.33 0.05 1 267 322 24 ILE HD1 H 0.33 0.05 1 268 322 24 ILE HG12 H 1.07 0.05 2 269 322 24 ILE HG13 H 0.84 0.05 2 270 322 24 ILE HG2 H -0.22 0.05 1 271 322 24 ILE N N 121.21 0.03 1 272 323 25 CYS C C 181.19 0.50 1 273 323 25 CYS CA C 58.22 0.50 1 274 323 25 CYS CB C 25.24 0.50 1 275 323 25 CYS H H 8.42 0.02 1 276 323 25 CYS HA H 4.80 0.05 1 277 323 25 CYS HB2 H 2.85 0.05 2 278 323 25 CYS HB3 H 2.35 0.05 2 279 323 25 CYS N N 126.81 0.03 1 280 324 26 LYS C C 175.62 0.50 1 281 324 26 LYS CA C 58.43 0.50 1 282 324 26 LYS CB C 33.73 0.50 1 283 324 26 LYS CD C 29.39 0.50 1 284 324 26 LYS CE C 41.90 0.50 1 285 324 26 LYS CG C 24.75 0.50 1 286 324 26 LYS H H 8.66 0.02 1 287 324 26 LYS HA H 3.84 0.05 1 288 324 26 LYS HB2 H 1.64 0.05 1 289 324 26 LYS HB3 H 1.64 0.05 1 290 324 26 LYS HD2 H 1.54 0.05 2 291 324 26 LYS HD3 H 1.70 0.05 2 292 324 26 LYS HE2 H 2.84 0.05 1 293 324 26 LYS HE3 H 2.84 0.05 1 294 324 26 LYS HG2 H 1.38 0.05 1 295 324 26 LYS HG3 H 1.38 0.05 1 296 324 26 LYS N N 134.79 0.03 1 297 325 27 SER C C 180.24 0.50 1 298 325 27 SER CA C 64.29 0.50 1 299 325 27 SER CB C 57.11 0.50 1 300 325 27 SER H H 7.96 0.02 1 301 325 27 SER HA H 4.56 0.05 1 302 325 27 SER HB2 H 3.80 0.05 1 303 325 27 SER HB3 H 3.80 0.05 1 304 325 27 SER N N 108.50 0.03 1 305 326 28 TYR C C 172.90 0.50 1 306 326 28 TYR CA C 56.48 0.50 1 307 326 28 TYR CB C 40.44 0.50 1 308 326 28 TYR CD1 C 132.41 0.50 1 309 326 28 TYR CD2 C 132.41 0.50 1 310 326 28 TYR CE1 C 119.06 0.50 1 311 326 28 TYR CE2 C 119.06 0.50 1 312 326 28 TYR H H 8.17 0.02 1 313 326 28 TYR HA H 4.92 0.05 1 314 326 28 TYR HB2 H 3.12 0.05 2 315 326 28 TYR HB3 H 2.85 0.05 2 316 326 28 TYR HD1 H 7.03 0.05 1 317 326 28 TYR HD2 H 7.03 0.05 1 318 326 28 TYR HE1 H 6.70 0.05 1 319 326 28 TYR HE2 H 6.70 0.05 1 320 326 28 TYR N N 114.90 0.03 1 321 327 29 GLU C C 176.83 0.50 1 322 327 29 GLU CA C 54.34 0.50 1 323 327 29 GLU CB C 32.58 0.50 1 324 327 29 GLU H H 7.93 0.02 1 325 327 29 GLU HA H 4.46 0.05 1 326 327 29 GLU HB2 H 2.12 0.05 1 327 327 29 GLU HB3 H 2.12 0.05 1 328 327 29 GLU N N 120.35 0.03 1 329 328 30 ASP C C 176.59 0.50 1 330 328 30 ASP CA C 55.16 0.50 1 331 328 30 ASP CB C 41.04 0.50 1 332 328 30 ASP H H 8.34 0.02 1 333 328 30 ASP HA H 4.47 0.05 1 334 328 30 ASP HB2 H 2.63 0.05 2 335 328 30 ASP HB3 H 2.38 0.05 2 336 328 30 ASP N N 119.55 0.03 1 337 329 31 ALA C C 177.51 0.50 1 338 329 31 ALA CA C 51.87 0.50 1 339 329 31 ALA CB C 18.88 0.50 1 340 329 31 ALA H H 8.52 0.02 1 341 329 31 ALA HA H 4.53 0.05 1 342 329 31 ALA HB H 1.15 0.05 1 343 329 31 ALA N N 125.07 0.03 1 344 330 32 THR C C 175.41 0.50 1 345 330 32 THR CA C 59.79 0.50 1 346 330 32 THR CB C 70.94 0.50 1 347 330 32 THR CG2 C 24.07 0.50 1 348 330 32 THR H H 8.89 0.02 1 349 330 32 THR HA H 4.47 0.05 1 350 330 32 THR HB H 4.02 0.05 1 351 330 32 THR HG2 H 0.97 0.05 1 352 330 32 THR N N 115.00 0.03 1 353 331 33 LYS C C 176.10 0.50 1 354 331 33 LYS CA C 55.07 0.50 1 355 331 33 LYS CB C 34.67 0.50 1 356 331 33 LYS CD C 28.84 0.50 1 357 331 33 LYS CE C 41.95 0.50 1 358 331 33 LYS CG C 24.72 0.50 1 359 331 33 LYS H H 8.14 0.02 1 360 331 33 LYS HA H 4.85 0.05 1 361 331 33 LYS HB2 H 1.40 0.05 2 362 331 33 LYS HB3 H 1.52 0.05 2 363 331 33 LYS HD2 H 1.33 0.05 1 364 331 33 LYS HD3 H 1.33 0.05 1 365 331 33 LYS HE2 H 2.76 0.05 1 366 331 33 LYS HE3 H 2.76 0.05 1 367 331 33 LYS HG2 H 1.23 0.05 2 368 331 33 LYS HG3 H 1.09 0.05 2 369 331 33 LYS N N 120.80 0.03 1 370 332 34 ILE C C 174.80 0.50 1 371 332 34 ILE CA C 59.06 0.50 1 372 332 34 ILE CB C 41.29 0.50 1 373 332 34 ILE CD1 C 13.93 0.50 1 374 332 34 ILE CG1 C 27.06 0.50 1 375 332 34 ILE CG2 C 18.14 0.50 1 376 332 34 ILE H H 8.78 0.02 1 377 332 34 ILE HA H 4.52 0.05 1 378 332 34 ILE HB H 1.84 0.05 1 379 332 34 ILE HD1 H 0.77 0.05 1 380 332 34 ILE HG12 H 1.37 0.05 2 381 332 34 ILE HG13 H 1.11 0.05 2 382 332 34 ILE HG2 H 0.77 0.05 1 383 332 34 ILE N N 121.42 0.03 1 384 333 35 THR C C 174.40 0.50 1 385 333 35 THR CA C 62.13 0.50 1 386 333 35 THR CB C 69.54 0.50 1 387 333 35 THR CG2 C 21.74 0.50 1 388 333 35 THR H H 8.27 0.02 1 389 333 35 THR HA H 4.54 0.05 1 390 333 35 THR HB H 3.86 0.05 1 391 333 35 THR HG2 H 0.92 0.05 1 392 333 35 THR N N 119.16 0.03 1 393 334 36 VAL C C 176.32 0.50 1 394 334 36 VAL CA C 62.05 0.50 1 395 334 36 VAL CB C 32.57 0.50 1 396 334 36 VAL CG1 C 21.81 0.50 1 397 334 36 VAL CG2 C 21.81 0.50 1 398 334 36 VAL H H 8.63 0.02 1 399 334 36 VAL HA H 4.00 0.05 1 400 334 36 VAL HB H 2.13 0.05 1 401 334 36 VAL HG1 H 0.77 0.05 1 402 334 36 VAL HG2 H 0.77 0.05 1 403 334 36 VAL N N 127.42 0.03 1 404 335 37 ARG C C 177.45 0.50 1 405 335 37 ARG CA C 58.25 0.50 1 406 335 37 ARG CB C 30.17 0.50 1 407 335 37 ARG CD C 43.35 0.50 1 408 335 37 ARG CG C 27.24 0.50 1 409 335 37 ARG H H 8.36 0.02 1 410 335 37 ARG HA H 3.95 0.05 1 411 335 37 ARG HB2 H 1.70 0.05 1 412 335 37 ARG HB3 H 1.70 0.05 1 413 335 37 ARG HD2 H 3.04 0.05 1 414 335 37 ARG HD3 H 3.04 0.05 1 415 335 37 ARG HG2 H 1.55 0.05 1 416 335 37 ARG HG3 H 1.55 0.05 1 417 335 37 ARG N N 125.43 0.03 1 418 336 38 SER C C 174.78 0.50 1 419 336 38 SER CA C 59.50 0.50 1 420 336 38 SER CB C 62.30 0.50 1 421 336 38 SER H H 7.93 0.02 1 422 336 38 SER HA H 4.01 0.05 1 423 336 38 SER HB2 H 3.69 0.05 1 424 336 38 SER HB3 H 3.69 0.05 1 425 336 38 SER N N 113.82 0.03 1 426 337 39 ASN C C 174.66 0.50 1 427 337 39 ASN CA C 52.81 0.50 1 428 337 39 ASN CB C 38.90 0.50 1 429 337 39 ASN H H 7.49 0.02 1 430 337 39 ASN HA H 4.57 0.05 1 431 337 39 ASN HB2 H 2.63 0.05 2 432 337 39 ASN HB3 H 2.72 0.05 2 433 337 39 ASN HD21 H 6.52 0.05 2 434 337 39 ASN HD22 H 7.21 0.05 2 435 337 39 ASN N N 117.43 0.03 1 436 337 39 ASN ND2 N 110.66 0.03 1 437 338 40 ASN C C 174.18 0.50 1 438 338 40 ASN CA C 53.30 0.50 1 439 338 40 ASN CB C 38.27 0.50 1 440 338 40 ASN H H 8.09 0.02 1 441 338 40 ASN HA H 4.30 0.05 1 442 338 40 ASN HB2 H 2.82 0.05 2 443 338 40 ASN HB3 H 2.59 0.05 2 444 338 40 ASN HD21 H 7.37 0.05 2 445 338 40 ASN HD22 H 6.67 0.05 2 446 338 40 ASN N N 117.05 0.03 1 447 338 40 ASN ND2 N 112.47 0.03 1 448 339 41 ARG C C 175.15 0.50 1 449 339 41 ARG CA C 55.63 0.50 1 450 339 41 ARG CB C 31.86 0.50 1 451 339 41 ARG CD C 43.06 0.50 1 452 339 41 ARG CG C 27.49 0.50 1 453 339 41 ARG H H 7.63 0.02 1 454 339 41 ARG HA H 4.25 0.05 1 455 339 41 ARG HB2 H 1.53 0.05 2 456 339 41 ARG HB3 H 1.62 0.05 2 457 339 41 ARG HD2 H 3.01 0.05 1 458 339 41 ARG HD3 H 3.01 0.05 1 459 339 41 ARG HG2 H 1.40 0.05 1 460 339 41 ARG HG3 H 1.40 0.05 1 461 339 41 ARG N N 118.65 0.03 1 462 340 42 GLU C C 176.15 0.50 1 463 340 42 GLU CA C 55.58 0.50 1 464 340 42 GLU CB C 31.60 0.50 1 465 340 42 GLU CG C 37.02 0.50 1 466 340 42 GLU H H 8.33 0.02 1 467 340 42 GLU HA H 4.86 0.05 1 468 340 42 GLU HB2 H 1.75 0.05 2 469 340 42 GLU HB3 H 1.67 0.05 2 470 340 42 GLU HG2 H 2.04 0.05 2 471 340 42 GLU HG3 H 1.92 0.05 2 472 340 42 GLU N N 122.67 0.03 1 473 341 43 VAL C C 173.62 0.50 1 474 341 43 VAL CA C 60.51 0.50 1 475 341 43 VAL CB C 35.91 0.50 1 476 341 43 VAL CG1 C 21.29 0.50 1 477 341 43 VAL CG2 C 21.29 0.50 1 478 341 43 VAL H H 8.89 0.02 1 479 341 43 VAL HA H 4.38 0.05 1 480 341 43 VAL HB H 1.92 0.05 1 481 341 43 VAL HG1 H 1.00 0.05 1 482 341 43 VAL HG2 H 1.00 0.05 1 483 341 43 VAL N N 123.55 0.03 1 484 342 44 ALA C C 175.81 0.50 1 485 342 44 ALA CA C 51.77 0.50 1 486 342 44 ALA CB C 20.14 0.50 1 487 342 44 ALA H H 8.35 0.02 1 488 342 44 ALA HA H 4.73 0.05 1 489 342 44 ALA HB H 1.18 0.05 1 490 342 44 ALA N N 128.07 0.03 1 491 343 45 LYS C C 174.71 0.50 1 492 343 45 LYS CA C 54.51 0.50 1 493 343 45 LYS CB C 36.38 0.50 1 494 343 45 LYS CD C 30.13 0.50 1 495 343 45 LYS CE C 42.22 0.50 1 496 343 45 LYS CG C 23.87 0.50 1 497 343 45 LYS H H 8.28 0.02 1 498 343 45 LYS HA H 4.55 0.05 1 499 343 45 LYS HB2 H 0.93 0.05 1 500 343 45 LYS HB3 H 0.93 0.05 1 501 343 45 LYS HD2 H 0.98 0.05 1 502 343 45 LYS HD3 H 0.98 0.05 1 503 343 45 LYS HE2 H 2.33 0.05 1 504 343 45 LYS HE3 H 2.33 0.05 1 505 343 45 LYS HG2 H 0.35 0.05 2 506 343 45 LYS HG3 H -0.03 0.05 2 507 343 45 LYS N N 120.68 0.03 1 508 344 46 ARG C C 173.77 0.50 1 509 344 46 ARG CA C 55.47 0.50 1 510 344 46 ARG CB C 36.67 0.50 1 511 344 46 ARG CG C 28.87 0.50 1 512 344 46 ARG H H 8.21 0.02 1 513 344 46 ARG HA H 4.26 0.05 1 514 344 46 ARG HB2 H 1.41 0.05 2 515 344 46 ARG HB3 H 1.11 0.05 2 516 344 46 ARG HD2 H 3.51 0.05 2 517 344 46 ARG HG2 H 0.95 0.05 2 518 344 46 ARG HG3 H 0.12 0.05 2 519 344 46 ARG N N 123.42 0.03 1 520 345 47 ASN C C 173.70 0.50 1 521 345 47 ASN CA C 52.06 0.50 1 522 345 47 ASN CB C 38.52 0.50 1 523 345 47 ASN H H 8.31 0.02 1 524 345 47 ASN HA H 5.03 0.05 1 525 345 47 ASN HB2 H 1.70 0.05 2 526 345 47 ASN HB3 H 2.26 0.05 2 527 345 47 ASN HD21 H 6.50 0.05 2 528 345 47 ASN HD22 H 7.24 0.05 2 529 345 47 ASN N N 126.87 0.03 1 530 345 47 ASN ND2 N 112.36 0.03 1 531 346 48 ILE C C 180.85 0.50 1 532 346 48 ILE CA C 59.14 0.50 1 533 346 48 ILE CB C 40.44 0.50 1 534 346 48 ILE CD1 C 14.16 0.50 1 535 346 48 ILE CG1 C 31.52 0.50 1 536 346 48 ILE CG2 C 17.27 0.50 1 537 346 48 ILE H H 8.71 0.02 1 538 346 48 ILE HA H 4.38 0.05 1 539 346 48 ILE HB H 1.72 0.05 1 540 346 48 ILE HD1 H 0.08 0.05 1 541 346 48 ILE HG12 H 0.71 0.05 2 542 346 48 ILE HG13 H 0.90 0.05 2 543 346 48 ILE HG2 H 0.06 0.05 1 544 346 48 ILE N N 116.63 0.03 1 545 347 49 TYR C C 174.95 0.50 1 546 347 49 TYR CA C 57.30 0.50 1 547 347 49 TYR CB C 38.68 0.50 1 548 347 49 TYR CD1 C 132.69 0.50 1 549 347 49 TYR CD2 C 132.69 0.50 1 550 347 49 TYR CE1 C 119.02 0.50 1 551 347 49 TYR CE2 C 119.02 0.50 1 552 347 49 TYR H H 7.88 0.02 1 553 347 49 TYR HA H 5.03 0.05 1 554 347 49 TYR HB2 H 2.67 0.05 2 555 347 49 TYR HB3 H 2.50 0.05 2 556 347 49 TYR HD1 H 6.70 0.05 1 557 347 49 TYR HD2 H 6.70 0.05 1 558 347 49 TYR HE1 H 6.53 0.05 1 559 347 49 TYR HE2 H 6.53 0.05 1 560 347 49 TYR N N 119.84 0.03 1 561 348 50 LEU C C 174.52 0.50 1 562 348 50 LEU CA C 52.77 0.50 1 563 348 50 LEU CB C 45.68 0.50 1 564 348 50 LEU CD1 C 25.76 0.50 2 565 348 50 LEU CD2 C 23.93 0.50 2 566 348 50 LEU CG C 26.95 0.50 1 567 348 50 LEU H H 8.68 0.02 1 568 348 50 LEU HA H 5.28 0.05 1 569 348 50 LEU HB2 H 1.42 0.05 2 570 348 50 LEU HB3 H 0.74 0.05 2 571 348 50 LEU HD1 H 0.37 0.05 2 572 348 50 LEU HD2 H 0.44 0.05 2 573 348 50 LEU HG H 1.23 0.05 1 574 348 50 LEU N N 123.71 0.03 1 575 349 51 MET C C 174.66 0.50 1 576 349 51 MET CA C 54.06 0.50 1 577 349 51 MET CB C 39.32 0.50 1 578 349 51 MET CE C 16.82 0.50 1 579 349 51 MET CG C 30.74 0.50 1 580 349 51 MET H H 8.58 0.02 1 581 349 51 MET HA H 5.46 0.05 1 582 349 51 MET HB2 H 1.81 0.05 1 583 349 51 MET HB3 H 1.81 0.05 1 584 349 51 MET HE H 1.75 0.05 1 585 349 51 MET HG2 H 2.35 0.05 2 586 349 51 MET HG3 H 2.89 0.05 2 587 349 51 MET N N 120.29 0.03 1 588 350 52 ASP C C 175.61 0.50 1 589 350 52 ASP CA C 52.08 0.50 1 590 350 52 ASP CB C 41.51 0.50 1 591 350 52 ASP H H 7.15 0.02 1 592 350 52 ASP HA H 4.79 0.05 1 593 350 52 ASP HB2 H 3.23 0.05 2 594 350 52 ASP HB3 H 2.76 0.05 2 595 350 52 ASP N N 125.60 0.03 1 596 351 53 THR C C 174.74 0.50 1 597 351 53 THR CA C 63.00 0.50 1 598 351 53 THR CB C 67.80 0.50 1 599 351 53 THR CG2 C 21.20 0.50 1 600 351 53 THR H H 6.84 0.02 1 601 351 53 THR HA H 1.65 0.05 1 602 351 53 THR HB H 3.28 0.05 1 603 351 53 THR HG2 H 0.55 0.05 1 604 351 53 THR N N 103.86 0.03 1 605 352 54 SER C C 176.43 0.50 1 606 352 54 SER CA C 59.62 0.50 1 607 352 54 SER CB C 63.71 0.50 1 608 352 54 SER H H 7.76 0.02 1 609 352 54 SER HA H 4.02 0.05 1 610 352 54 SER HB2 H 3.71 0.05 1 611 352 54 SER HB3 H 3.71 0.05 1 612 352 54 SER N N 117.73 0.03 1 613 353 55 GLY C C 181.27 0.50 1 614 353 55 GLY CA C 43.77 0.50 1 615 353 55 GLY H H 8.31 0.02 1 616 353 55 GLY HA2 H 3.71 0.05 1 617 353 55 GLY HA3 H 3.71 0.05 1 618 353 55 GLY N N 110.62 0.03 1 619 354 56 LYS C C 173.78 0.50 1 620 354 56 LYS CA C 54.96 0.50 1 621 354 56 LYS CB C 33.08 0.50 1 622 354 56 LYS CD C 28.49 0.50 1 623 354 56 LYS CE C 42.28 0.50 1 624 354 56 LYS CG C 25.46 0.50 1 625 354 56 LYS H H 7.73 0.02 1 626 354 56 LYS HA H 4.18 0.05 1 627 354 56 LYS HB2 H 1.49 0.05 1 628 354 56 LYS HB3 H 1.49 0.05 1 629 354 56 LYS HD2 H 1.46 0.05 1 630 354 56 LYS HD3 H 1.46 0.05 1 631 354 56 LYS HE2 H 2.87 0.05 1 632 354 56 LYS HE3 H 2.87 0.05 1 633 354 56 LYS HG2 H 1.15 0.05 1 634 354 56 LYS HG3 H 1.15 0.05 1 635 354 56 LYS N N 121.76 0.03 1 636 355 57 VAL C C 176.17 0.50 1 637 355 57 VAL CA C 59.60 0.50 1 638 355 57 VAL CB C 34.94 0.50 1 639 355 57 VAL CG1 C 22.25 0.50 1 640 355 57 VAL CG2 C 22.25 0.50 1 641 355 57 VAL H H 7.62 0.02 1 642 355 57 VAL HA H 5.17 0.05 1 643 355 57 VAL HB H 1.72 0.05 1 644 355 57 VAL HG1 H 0.81 0.05 1 645 355 57 VAL HG2 H 0.81 0.05 1 646 355 57 VAL N N 118.18 0.03 1 647 356 58 VAL C C 181.02 0.50 1 648 356 58 VAL CA C 58.79 0.50 1 649 356 58 VAL CB C 34.91 0.50 1 650 356 58 VAL CG1 C 20.33 0.50 2 651 356 58 VAL CG2 C 21.98 0.50 2 652 356 58 VAL H H 9.07 0.02 1 653 356 58 VAL HA H 4.62 0.05 1 654 356 58 VAL HB H 1.69 0.05 1 655 356 58 VAL HG1 H 0.60 0.05 2 656 356 58 VAL HG2 H 0.79 0.05 2 657 356 58 VAL N N 125.74 0.03 1 658 357 59 THR C C 173.12 0.50 1 659 357 59 THR CA C 62.16 0.50 1 660 357 59 THR CB C 69.27 0.50 1 661 357 59 THR CG2 C 21.62 0.50 1 662 357 59 THR H H 8.31 0.02 1 663 357 59 THR HA H 4.39 0.05 1 664 357 59 THR HB H 3.86 0.05 1 665 357 59 THR HG2 H 0.71 0.05 1 666 357 59 THR N N 124.16 0.03 1 667 358 60 ALA C C 174.80 0.50 1 668 358 60 ALA CA C 49.03 0.50 1 669 358 60 ALA CB C 20.42 0.50 1 670 358 60 ALA H H 8.89 0.02 1 671 358 60 ALA HA H 5.15 0.05 1 672 358 60 ALA HB H 0.70 0.05 1 673 358 60 ALA N N 129.85 0.03 1 674 359 61 THR C C 180.77 0.50 1 675 359 61 THR CA C 62.14 0.50 1 676 359 61 THR CB C 70.40 0.50 1 677 359 61 THR CG2 C 23.22 0.50 1 678 359 61 THR H H 8.32 0.02 1 679 359 61 THR HA H 4.44 0.05 1 680 359 61 THR HB H 3.55 0.05 1 681 359 61 THR HG2 H 0.18 0.05 1 682 359 61 THR N N 119.26 0.03 1 683 360 62 LEU C C 175.28 0.50 1 684 360 62 LEU CA C 53.34 0.50 1 685 360 62 LEU CB C 44.10 0.50 1 686 360 62 LEU CD1 C 26.00 0.50 2 687 360 62 LEU CD2 C 23.66 0.50 2 688 360 62 LEU CG C 27.95 0.50 1 689 360 62 LEU H H 8.38 0.02 1 690 360 62 LEU HA H 4.53 0.05 1 691 360 62 LEU HB2 H 0.93 0.05 2 692 360 62 LEU HB3 H 1.14 0.05 2 693 360 62 LEU HD1 H 0.12 0.05 2 694 360 62 LEU HD2 H 0.32 0.05 2 695 360 62 LEU HG H 1.23 0.05 1 696 360 62 LEU N N 126.25 0.03 1 697 361 63 TRP C C 178.49 0.50 1 698 361 63 TRP CA C 55.59 0.50 1 699 361 63 TRP CB C 33.93 0.50 1 700 361 63 TRP CD1 C 128.02 0.50 1 701 361 63 TRP CE3 C 120.31 0.50 1 702 361 63 TRP CH2 C 125.30 0.50 1 703 361 63 TRP CZ2 C 115.88 0.50 1 704 361 63 TRP CZ3 C 121.67 0.50 1 705 361 63 TRP H H 9.08 0.02 1 706 361 63 TRP HA H 5.28 0.05 1 707 361 63 TRP HB2 H 3.12 0.05 2 708 361 63 TRP HB3 H 2.84 0.05 2 709 361 63 TRP HD1 H 7.28 0.05 1 710 361 63 TRP HE1 H 9.50 0.05 1 711 361 63 TRP HE3 H 7.52 0.05 1 712 361 63 TRP HH2 H 7.08 0.05 1 713 361 63 TRP HZ2 H 7.23 0.05 1 714 361 63 TRP HZ3 H 6.65 0.05 1 715 361 63 TRP N N 119.80 0.03 1 716 361 63 TRP NE1 N 128.80 0.03 1 717 362 64 GLY C C 175.63 0.50 1 718 362 64 GLY CA C 46.14 0.50 1 719 362 64 GLY H H 9.28 0.02 1 720 362 64 GLY HA2 H 4.00 0.05 1 721 362 64 GLY HA3 H 4.00 0.05 1 722 362 64 GLY N N 109.66 0.03 1 723 363 65 GLU C C 178.26 0.50 1 724 363 65 GLU CA C 59.70 0.50 1 725 363 65 GLU CB C 29.51 0.50 1 726 363 65 GLU CG C 36.36 0.50 1 727 363 65 GLU H H 8.90 0.02 1 728 363 65 GLU HA H 3.97 0.05 1 729 363 65 GLU HB2 H 1.92 0.05 1 730 363 65 GLU HB3 H 1.92 0.05 1 731 363 65 GLU HG2 H 2.21 0.05 1 732 363 65 GLU HG3 H 2.21 0.05 1 733 363 65 GLU N N 126.28 0.03 1 734 364 66 ASP C C 178.28 0.50 1 735 364 66 ASP CA C 57.13 0.50 1 736 364 66 ASP CB C 40.31 0.50 1 737 364 66 ASP H H 7.97 0.02 1 738 364 66 ASP HA H 4.22 0.05 1 739 364 66 ASP HB2 H 2.73 0.05 2 740 364 66 ASP HB3 H 2.31 0.05 2 741 364 66 ASP N N 116.23 0.03 1 742 365 67 ALA C C 179.69 0.50 1 743 365 67 ALA CA C 54.45 0.50 1 744 365 67 ALA CB C 18.00 0.50 1 745 365 67 ALA H H 6.73 0.02 1 746 365 67 ALA HA H 3.53 0.05 1 747 365 67 ALA HB H 0.94 0.05 1 748 365 67 ALA N N 119.12 0.03 1 749 366 68 ASP C C 177.87 0.50 1 750 366 68 ASP CA C 57.83 0.50 1 751 366 68 ASP CB C 41.88 0.50 1 752 366 68 ASP H H 7.79 0.02 1 753 366 68 ASP HA H 4.13 0.05 1 754 366 68 ASP HB2 H 2.45 0.05 1 755 366 68 ASP HB3 H 2.45 0.05 1 756 366 68 ASP N N 119.82 0.03 1 757 367 69 LYS C C 176.06 0.50 1 758 367 69 LYS CA C 56.32 0.50 1 759 367 69 LYS CB C 32.82 0.50 1 760 367 69 LYS CD C 29.13 0.50 1 761 367 69 LYS CE C 42.03 0.50 1 762 367 69 LYS CG C 25.48 0.50 1 763 367 69 LYS H H 7.75 0.02 1 764 367 69 LYS HA H 4.03 0.05 1 765 367 69 LYS HB2 H 1.72 0.05 1 766 367 69 LYS HB3 H 1.72 0.05 1 767 367 69 LYS HD2 H 1.48 0.05 1 768 367 69 LYS HD3 H 1.48 0.05 1 769 367 69 LYS HE2 H 2.79 0.05 1 770 367 69 LYS HE3 H 2.79 0.05 1 771 367 69 LYS HG2 H 1.37 0.05 1 772 367 69 LYS HG3 H 1.37 0.05 1 773 367 69 LYS N N 114.50 0.03 1 774 368 70 PHE C C 173.32 0.50 1 775 368 70 PHE CA C 60.32 0.50 1 776 368 70 PHE CB C 39.70 0.50 1 777 368 70 PHE CD1 C 130.95 0.50 1 778 368 70 PHE CD2 C 130.95 0.50 1 779 368 70 PHE CE1 C 130.39 0.50 1 780 368 70 PHE CE2 C 130.39 0.50 1 781 368 70 PHE CZ C 128.75 0.50 1 782 368 70 PHE H H 6.72 0.02 1 783 368 70 PHE HA H 3.78 0.05 1 784 368 70 PHE HB2 H 3.21 0.05 2 785 368 70 PHE HB3 H 2.20 0.05 2 786 368 70 PHE HD1 H 6.64 0.05 1 787 368 70 PHE HD2 H 6.64 0.05 1 788 368 70 PHE HE1 H 6.60 0.05 1 789 368 70 PHE HE2 H 6.60 0.05 1 790 368 70 PHE HZ H 6.96 0.05 1 791 368 70 PHE N N 120.77 0.03 1 792 369 71 ASP C C 175.07 0.50 1 793 369 71 ASP CA C 51.96 0.50 1 794 369 71 ASP CB C 41.47 0.50 1 795 369 71 ASP H H 7.23 0.02 1 796 369 71 ASP HA H 4.15 0.05 1 797 369 71 ASP HB2 H 2.41 0.05 2 798 369 71 ASP HB3 H 2.16 0.05 2 799 369 71 ASP N N 126.05 0.03 1 800 370 72 GLY C C 174.11 0.50 1 801 370 72 GLY CA C 45.34 0.50 1 802 370 72 GLY H H 6.50 0.02 1 803 370 72 GLY HA2 H 3.84 0.05 1 804 370 72 GLY HA3 H 3.84 0.05 1 805 370 72 GLY N N 111.79 0.03 1 806 371 73 SER C C 173.30 0.50 1 807 371 73 SER CA C 55.76 0.50 1 808 371 73 SER CB C 63.63 0.50 1 809 371 73 SER H H 8.09 0.02 1 810 371 73 SER HA H 4.47 0.05 1 811 371 73 SER HB2 H 3.69 0.05 1 812 371 73 SER HB3 H 3.69 0.05 1 813 371 73 SER N N 115.34 0.03 1 814 372 74 ARG C C 174.87 0.50 1 815 372 74 ARG CA C 56.11 0.50 1 816 372 74 ARG CB C 30.55 0.50 1 817 372 74 ARG H H 8.20 0.02 1 818 372 74 ARG HA H 4.05 0.05 1 819 372 74 ARG N N 121.21 0.03 1 820 373 75 GLN CA C 55.23 0.50 1 821 373 75 GLN CB C 27.07 0.50 1 822 373 75 GLN CG C 34.95 0.50 1 823 373 75 GLN H H 7.77 0.02 1 824 373 75 GLN HA H 4.06 0.05 1 825 373 75 GLN HB2 H 1.40 0.05 2 826 373 75 GLN HB3 H 1.44 0.05 2 827 373 75 GLN HG2 H 2.21 0.05 2 828 373 75 GLN HG3 H 2.38 0.05 2 829 373 75 GLN HE21 H 6.94 0.05 2 830 373 75 GLN HE22 H 7.73 0.05 2 831 373 75 GLN N N 121.82 0.03 1 832 373 75 GLN NE2 N 112.79 0.03 1 833 374 76 PRO C C 176.99 0.50 1 834 374 76 PRO CA C 62.61 0.50 1 835 374 76 PRO CB C 34.34 0.50 1 836 374 76 PRO CD C 50.09 0.50 1 837 374 76 PRO CG C 24.70 0.50 1 838 374 76 PRO HA H 4.58 0.05 1 839 374 76 PRO HB2 H 1.96 0.05 2 840 374 76 PRO HB3 H 2.22 0.05 2 841 374 76 PRO HD2 H 3.38 0.05 1 842 374 76 PRO HD3 H 3.38 0.05 1 843 374 76 PRO HG2 H 1.67 0.05 2 844 374 76 PRO HG3 H 1.76 0.05 2 845 375 77 VAL C C 174.77 0.50 1 846 375 77 VAL CA C 62.68 0.50 1 847 375 77 VAL CB C 33.45 0.50 1 848 375 77 VAL CG1 C 22.44 0.50 1 849 375 77 VAL CG2 C 22.44 0.50 1 850 375 77 VAL H H 7.61 0.02 1 851 375 77 VAL HA H 4.05 0.05 1 852 375 77 VAL HB H 1.90 0.05 1 853 375 77 VAL HG1 H 0.87 0.05 2 854 375 77 VAL HG2 H 0.57 0.05 2 855 375 77 VAL N N 119.54 0.03 1 856 376 78 LEU C C 174.17 0.50 1 857 376 78 LEU CA C 53.23 0.50 1 858 376 78 LEU CB C 44.73 0.50 1 859 376 78 LEU CD1 C 26.16 0.50 1 860 376 78 LEU CD2 C 26.16 0.50 1 861 376 78 LEU CG C 26.53 0.50 1 862 376 78 LEU H H 8.96 0.02 1 863 376 78 LEU HA H 4.95 0.05 1 864 376 78 LEU HB2 H 0.90 0.05 2 865 376 78 LEU HB3 H 1.32 0.05 2 866 376 78 LEU HD1 H 0.68 0.05 1 867 376 78 LEU HD2 H 0.68 0.05 1 868 376 78 LEU HG H 0.90 0.05 1 869 376 78 LEU N N 128.40 0.03 1 870 377 79 ALA C C 175.43 0.50 1 871 377 79 ALA CA C 49.56 0.50 1 872 377 79 ALA CB C 21.16 0.50 1 873 377 79 ALA H H 8.51 0.02 1 874 377 79 ALA HA H 5.04 0.05 1 875 377 79 ALA HB H 0.82 0.05 1 876 377 79 ALA N N 124.50 0.03 1 877 378 80 ILE C C 174.63 0.50 1 878 378 80 ILE CA C 59.92 0.50 1 879 378 80 ILE CB C 40.48 0.50 1 880 378 80 ILE CD1 C 12.57 0.50 1 881 378 80 ILE CG1 C 27.32 0.50 1 882 378 80 ILE CG2 C 18.48 0.50 1 883 378 80 ILE H H 9.39 0.02 1 884 378 80 ILE HA H 4.92 0.05 1 885 378 80 ILE HB H 1.50 0.05 1 886 378 80 ILE HD1 H 0.33 0.05 1 887 378 80 ILE HG12 H 1.24 0.05 1 888 378 80 ILE HG13 H 1.24 0.05 1 889 378 80 ILE HG2 H 0.63 0.05 1 890 378 80 ILE N N 122.24 0.03 1 891 379 81 LYS C C 177.37 0.50 1 892 379 81 LYS CA C 53.27 0.50 1 893 379 81 LYS CB C 34.57 0.50 1 894 379 81 LYS CD C 28.35 0.50 1 895 379 81 LYS CE C 41.98 0.50 1 896 379 81 LYS CG C 24.15 0.50 1 897 379 81 LYS H H 9.18 0.02 1 898 379 81 LYS HA H 4.82 0.05 1 899 379 81 LYS HB2 H 1.82 0.05 1 900 379 81 LYS HB3 H 1.82 0.05 1 901 379 81 LYS HD2 H 1.35 0.05 2 902 379 81 LYS HD3 H 1.40 0.05 2 903 379 81 LYS HE2 H 2.64 0.05 1 904 379 81 LYS HE3 H 2.64 0.05 1 905 379 81 LYS HG2 H 1.13 0.05 2 906 379 81 LYS HG3 H 1.19 0.05 2 907 379 81 LYS N N 128.11 0.03 1 908 380 82 GLY C C 177.67 0.50 1 909 380 82 GLY CA C 48.08 0.50 1 910 380 82 GLY H H 8.94 0.02 1 911 380 82 GLY HA2 H 3.60 0.05 2 912 380 82 GLY HA3 H 3.70 0.05 2 913 380 82 GLY N N 116.02 0.03 1 914 381 83 ALA C C 174.81 0.50 1 915 381 83 ALA CA C 51.34 0.50 1 916 381 83 ALA CB C 19.75 0.50 1 917 381 83 ALA H H 8.90 0.02 1 918 381 83 ALA HA H 4.41 0.05 1 919 381 83 ALA HB H 1.09 0.05 1 920 381 83 ALA N N 125.23 0.03 1 921 382 84 ARG C C 176.42 0.50 1 922 382 84 ARG CA C 54.53 0.50 1 923 382 84 ARG CB C 33.86 0.50 1 924 382 84 ARG CD C 43.52 0.50 1 925 382 84 ARG CG C 27.25 0.50 1 926 382 84 ARG H H 8.51 0.02 1 927 382 84 ARG HA H 5.05 0.05 1 928 382 84 ARG HB2 H 1.65 0.05 2 929 382 84 ARG HB3 H 1.50 0.05 2 930 382 84 ARG HD2 H 3.01 0.05 1 931 382 84 ARG HD3 H 3.01 0.05 1 932 382 84 ARG HG2 H 1.35 0.05 1 933 382 84 ARG HG3 H 1.35 0.05 1 934 382 84 ARG N N 119.72 0.03 1 935 383 85 VAL C C 176.15 0.50 1 936 383 85 VAL CA C 64.33 0.50 1 937 383 85 VAL CB C 31.63 0.50 1 938 383 85 VAL CG1 C 22.24 0.50 2 939 383 85 VAL CG2 C 23.17 0.50 2 940 383 85 VAL H H 8.84 0.02 1 941 383 85 VAL HA H 3.91 0.05 1 942 383 85 VAL HB H 2.00 0.05 1 943 383 85 VAL HG1 H 0.72 0.05 1 944 383 85 VAL HG2 H 0.72 0.05 1 945 383 85 VAL N N 127.47 0.03 1 946 384 86 SER C C 173.18 0.50 1 947 384 86 SER CA C 58.37 0.50 1 948 384 86 SER CB C 64.29 0.50 1 949 384 86 SER H H 8.82 0.02 1 950 384 86 SER HA H 4.46 0.05 1 951 384 86 SER HB2 H 3.66 0.05 1 952 384 86 SER HB3 H 3.66 0.05 1 953 384 86 SER N N 125.79 0.03 1 954 385 87 ASP C C 176.03 0.50 1 955 385 87 ASP CA C 52.95 0.50 1 956 385 87 ASP CB C 41.97 0.50 1 957 385 87 ASP H H 8.01 0.02 1 958 385 87 ASP HA H 4.71 0.05 1 959 385 87 ASP HB2 H 2.68 0.05 2 960 385 87 ASP HB3 H 2.38 0.05 2 961 385 87 ASP N N 121.82 0.03 1 962 386 88 PHE C C 176.85 0.50 1 963 386 88 PHE CA C 58.95 0.50 1 964 386 88 PHE CB C 38.48 0.50 1 965 386 88 PHE CD1 C 131.29 0.50 1 966 386 88 PHE CD2 C 131.29 0.50 1 967 386 88 PHE CE1 C 131.19 0.50 1 968 386 88 PHE CE2 C 131.19 0.50 1 969 386 88 PHE CZ C 129.59 0.50 1 970 386 88 PHE H H 8.35 0.02 1 971 386 88 PHE HA H 4.33 0.05 1 972 386 88 PHE HB2 H 2.90 0.05 1 973 386 88 PHE HB3 H 2.90 0.05 1 974 386 88 PHE HD1 H 7.17 0.05 1 975 386 88 PHE HD2 H 7.17 0.05 1 976 386 88 PHE HE1 H 7.24 0.05 1 977 386 88 PHE HE2 H 7.24 0.05 1 978 386 88 PHE HZ H 7.19 0.05 1 979 386 88 PHE N N 122.73 0.03 1 980 387 89 GLY C C 174.75 0.50 1 981 387 89 GLY CA C 45.79 0.50 1 982 387 89 GLY H H 8.48 0.02 1 983 387 89 GLY HA2 H 3.70 0.05 2 984 387 89 GLY HA3 H 3.54 0.05 2 985 387 89 GLY N N 114.56 0.03 1 986 388 90 GLY C C 176.04 0.50 1 987 388 90 GLY CA C 46.04 0.50 1 988 388 90 GLY H H 7.68 0.02 1 989 388 90 GLY HA2 H 4.12 0.05 2 990 388 90 GLY HA3 H 3.32 0.05 2 991 388 90 GLY N N 109.36 0.03 1 992 389 91 ARG C C 175.17 0.50 1 993 389 91 ARG CA C 55.18 0.50 1 994 389 91 ARG CB C 32.27 0.50 1 995 389 91 ARG CD C 41.97 0.50 1 996 389 91 ARG CG C 28.84 0.50 1 997 389 91 ARG H H 7.64 0.02 1 998 389 91 ARG HA H 4.60 0.05 1 999 389 91 ARG HB2 H 1.76 0.05 1 1000 389 91 ARG HB3 H 1.76 0.05 1 1001 389 91 ARG HD2 H 2.79 0.05 1 1002 389 91 ARG HD3 H 2.79 0.05 1 1003 389 91 ARG HG2 H 1.48 0.05 1 1004 389 91 ARG HG3 H 1.48 0.05 1 1005 389 91 ARG N N 119.09 0.03 1 1006 390 92 SER C C 181.13 0.50 1 1007 390 92 SER CA C 56.74 0.50 1 1008 390 92 SER CB C 65.39 0.50 1 1009 390 92 SER H H 8.32 0.02 1 1010 390 92 SER HA H 4.73 0.05 1 1011 390 92 SER HB2 H 3.61 0.05 2 1012 390 92 SER HB3 H 3.73 0.05 2 1013 390 92 SER N N 116.25 0.03 1 1014 391 93 LEU C C 176.38 0.50 1 1015 391 93 LEU CA C 52.95 0.50 1 1016 391 93 LEU CB C 45.70 0.50 1 1017 391 93 LEU CD1 C 26.66 0.50 2 1018 391 93 LEU CD2 C 24.22 0.50 2 1019 391 93 LEU CG C 26.61 0.50 1 1020 391 93 LEU H H 8.66 0.02 1 1021 391 93 LEU HA H 5.27 0.05 1 1022 391 93 LEU HB2 H 0.95 0.05 2 1023 391 93 LEU HB3 H 1.40 0.05 2 1024 391 93 LEU HD1 H 0.49 0.05 2 1025 391 93 LEU HD2 H 0.58 0.05 2 1026 391 93 LEU HG H 1.44 0.05 1 1027 391 93 LEU N N 119.13 0.03 1 1028 392 94 SER C C 173.18 0.50 1 1029 392 94 SER CA C 56.70 0.50 1 1030 392 94 SER CB C 64.12 0.50 1 1031 392 94 SER H H 9.42 0.02 1 1032 392 94 SER HA H 4.76 0.05 1 1033 392 94 SER HB2 H 3.70 0.05 1 1034 392 94 SER HB3 H 3.70 0.05 1 1035 392 94 SER N N 118.99 0.03 1 1036 393 95 VAL C C 175.15 0.50 1 1037 393 95 VAL CA C 63.44 0.50 1 1038 393 95 VAL CB C 29.72 0.50 1 1039 393 95 VAL CG1 C 22.07 0.50 2 1040 393 95 VAL CG2 C 21.60 0.50 2 1041 393 95 VAL H H 8.64 0.02 1 1042 393 95 VAL HA H 3.83 0.05 1 1043 393 95 VAL HB H 2.31 0.05 1 1044 393 95 VAL HG1 H 0.77 0.05 2 1045 393 95 VAL HG2 H 0.58 0.05 2 1046 393 95 VAL N N 128.68 0.03 1 1047 394 96 LEU CA C 53.08 0.50 1 1048 394 96 LEU CB C 43.83 0.50 1 1049 394 96 LEU CD1 C 25.89 0.50 2 1050 394 96 LEU CD2 C 21.99 0.50 2 1051 394 96 LEU CG C 27.00 0.50 1 1052 394 96 LEU H H 8.08 0.02 1 1053 394 96 LEU HA H 4.50 0.05 1 1054 394 96 LEU HB2 H 1.78 0.05 1 1055 394 96 LEU HB3 H 1.78 0.05 1 1056 394 96 LEU HD1 H 0.71 0.05 2 1057 394 96 LEU HD2 H 0.58 0.05 2 1058 394 96 LEU HG H 1.52 0.05 1 1059 394 96 LEU N N 126.93 0.03 1 1060 396 98 SER C C 175.49 0.50 1 1061 396 98 SER CA C 57.08 0.50 1 1062 396 98 SER CB C 63.37 0.50 1 1063 396 98 SER HA H 4.25 0.05 1 1064 396 98 SER HB2 H 3.60 0.05 1 1065 396 98 SER HB3 H 3.60 0.05 1 1066 396 98 SER H H 8.15 0.05 2 1067 397 99 SER C C 174.87 0.50 1 1068 397 99 SER CA C 57.83 0.50 1 1069 397 99 SER CB C 63.30 0.50 1 1070 397 99 SER H H 7.58 0.02 1 1071 397 99 SER HA H 4.52 0.05 1 1072 397 99 SER HB2 H 3.72 0.05 1 1073 397 99 SER HB3 H 3.72 0.05 1 1074 397 99 SER N N 121.84 0.03 1 1075 398 100 THR C C 181.33 0.50 1 1076 398 100 THR CA C 62.34 0.50 1 1077 398 100 THR CB C 71.30 0.50 1 1078 398 100 THR CG2 C 21.77 0.50 1 1079 398 100 THR H H 8.30 0.02 1 1080 398 100 THR HA H 4.54 0.05 1 1081 398 100 THR HB H 3.74 0.05 1 1082 398 100 THR HG2 H 1.05 0.05 1 1083 398 100 THR N N 118.49 0.03 1 1084 399 101 ILE C C 175.19 0.50 1 1085 399 101 ILE CA C 60.69 0.50 1 1086 399 101 ILE CB C 40.05 0.50 1 1087 399 101 ILE CD1 C 13.63 0.50 1 1088 399 101 ILE CG1 C 27.65 0.50 1 1089 399 101 ILE CG2 C 17.91 0.50 1 1090 399 101 ILE H H 8.77 0.02 1 1091 399 101 ILE HA H 4.61 0.05 1 1092 399 101 ILE HB H 1.59 0.05 1 1093 399 101 ILE HD1 H 0.65 0.05 1 1094 399 101 ILE HG12 H 1.40 0.05 1 1095 399 101 ILE HG13 H 1.40 0.05 1 1096 399 101 ILE HG2 H 0.65 0.05 1 1097 399 101 ILE N N 126.80 0.03 1 1098 400 102 ILE C C 174.32 0.50 1 1099 400 102 ILE CA C 60.12 0.50 1 1100 400 102 ILE CB C 40.61 0.50 1 1101 400 102 ILE CD1 C 13.67 0.50 1 1102 400 102 ILE CG1 C 27.45 0.50 1 1103 400 102 ILE CG2 C 18.72 0.50 1 1104 400 102 ILE H H 9.22 0.02 1 1105 400 102 ILE HA H 4.26 0.05 1 1106 400 102 ILE HB H 1.70 0.05 1 1107 400 102 ILE HD1 H 0.79 0.05 1 1108 400 102 ILE HG12 H 1.36 0.05 2 1109 400 102 ILE HG13 H 1.07 0.05 2 1110 400 102 ILE HG2 H 0.74 0.05 1 1111 400 102 ILE N N 128.77 0.03 1 1112 401 103 ALA C C 176.79 0.50 1 1113 401 103 ALA CA C 50.73 0.50 1 1114 401 103 ALA CB C 19.13 0.50 1 1115 401 103 ALA H H 8.60 0.02 1 1116 401 103 ALA HA H 4.80 0.05 1 1117 401 103 ALA HB H 1.11 0.05 1 1118 401 103 ALA N N 130.52 0.03 1 1119 402 104 ASN CA C 53.61 0.50 1 1120 402 104 ASN CB C 37.67 0.50 1 1121 402 104 ASN H H 9.72 0.02 1 1122 402 104 ASN HA H 4.07 0.05 1 1123 402 104 ASN HB2 H 2.67 0.05 2 1124 402 104 ASN HB3 H 2.54 0.05 2 1125 402 104 ASN HD21 H 6.73 0.05 2 1126 402 104 ASN HD22 H 7.66 0.05 2 1127 402 104 ASN N N 117.40 0.03 1 1128 402 104 ASN ND2 N 116.55 0.03 1 1129 403 105 PRO C C 176.43 0.50 1 1130 403 105 PRO CA C 62.31 0.50 1 1131 403 105 PRO CB C 31.48 0.50 1 1132 403 105 PRO CD C 50.89 0.50 1 1133 403 105 PRO CG C 26.89 0.50 1 1134 403 105 PRO HA H 4.25 0.05 1 1135 403 105 PRO HB2 H 2.12 0.05 2 1136 403 105 PRO HB3 H 1.72 0.05 2 1137 403 105 PRO HD2 H 3.68 0.05 2 1138 403 105 PRO HD3 H 3.47 0.05 2 1139 403 105 PRO HG2 H 1.86 0.05 2 1140 403 105 PRO HG3 H 1.78 0.05 2 1141 404 106 ASP C C 174.87 0.50 1 1142 404 106 ASP CA C 52.81 0.50 1 1143 404 106 ASP CB C 39.50 0.50 1 1144 404 106 ASP H H 8.72 0.02 1 1145 404 106 ASP HA H 4.72 0.05 1 1146 404 106 ASP HB2 H 2.75 0.05 2 1147 404 106 ASP HB3 H 2.45 0.05 2 1148 404 106 ASP N N 124.73 0.03 1 1149 405 107 ILE CA C 57.52 0.50 1 1150 405 107 ILE CB C 39.19 0.50 1 1151 405 107 ILE CD1 C 12.64 0.50 1 1152 405 107 ILE CG1 C 25.57 0.50 1 1153 405 107 ILE CG2 C 17.91 0.50 1 1154 405 107 ILE H H 7.05 0.02 1 1155 405 107 ILE HA H 4.87 0.05 1 1156 405 107 ILE HB H 2.21 0.05 1 1157 405 107 ILE HD1 H 0.65 0.05 1 1158 405 107 ILE HG12 H 1.16 0.05 2 1159 405 107 ILE HG13 H 1.28 0.05 2 1160 405 107 ILE HG2 H 0.86 0.05 1 1161 405 107 ILE N N 113.06 0.03 1 1162 406 108 PRO C C 179.21 0.50 1 1163 406 108 PRO CA C 65.90 0.50 1 1164 406 108 PRO CB C 32.08 0.50 1 1165 406 108 PRO CD C 50.60 0.50 1 1166 406 108 PRO CG C 27.48 0.50 1 1167 406 108 PRO HA H 4.18 0.05 1 1168 406 108 PRO HB2 H 1.82 0.05 2 1169 406 108 PRO HB3 H 2.30 0.05 2 1170 406 108 PRO HD2 H 3.79 0.05 1 1171 406 108 PRO HD3 H 3.79 0.05 1 1172 406 108 PRO HG2 H 1.93 0.05 2 1173 406 108 PRO HG3 H 2.10 0.05 2 1174 407 109 GLU C C 176.04 0.50 1 1175 407 109 GLU CA C 60.53 0.50 1 1176 407 109 GLU CB C 29.44 0.50 1 1177 407 109 GLU CG C 37.27 0.50 1 1178 407 109 GLU H H 10.15 0.02 1 1179 407 109 GLU HA H 3.67 0.05 1 1180 407 109 GLU HB2 H 1.59 0.05 2 1181 407 109 GLU HB3 H 1.48 0.05 2 1182 407 109 GLU HG2 H 2.40 0.05 2 1183 407 109 GLU HG3 H 2.19 0.05 2 1184 407 109 GLU N N 118.21 0.03 1 1185 408 110 ALA C C 178.57 0.50 1 1186 408 110 ALA CA C 54.54 0.50 1 1187 408 110 ALA CB C 19.58 0.50 1 1188 408 110 ALA H H 7.44 0.02 1 1189 408 110 ALA HA H 3.82 0.05 1 1190 408 110 ALA HB H 1.27 0.05 1 1191 408 110 ALA N N 119.77 0.03 1 1192 409 111 TYR C C 179.55 0.50 1 1193 409 111 TYR CA C 60.28 0.50 1 1194 409 111 TYR CB C 37.15 0.50 1 1195 409 111 TYR CD1 C 133.53 0.50 1 1196 409 111 TYR CD2 C 133.53 0.50 1 1197 409 111 TYR CE1 C 119.13 0.50 1 1198 409 111 TYR CE2 C 119.13 0.50 1 1199 409 111 TYR H H 6.94 0.02 1 1200 409 111 TYR HA H 4.17 0.05 1 1201 409 111 TYR HB2 H 3.15 0.05 2 1202 409 111 TYR HB3 H 2.89 0.05 2 1203 409 111 TYR HD1 H 7.05 0.05 1 1204 409 111 TYR HD2 H 7.05 0.05 1 1205 409 111 TYR HE1 H 6.67 0.05 1 1206 409 111 TYR HE2 H 6.67 0.05 1 1207 409 111 TYR N N 118.88 0.03 1 1208 410 112 LYS C C 179.09 0.50 1 1209 410 112 LYS CA C 59.04 0.50 1 1210 410 112 LYS CB C 32.25 0.50 1 1211 410 112 LYS CD C 29.71 0.50 1 1212 410 112 LYS CE C 42.18 0.50 1 1213 410 112 LYS CG C 24.84 0.50 1 1214 410 112 LYS H H 7.80 0.02 1 1215 410 112 LYS HA H 3.95 0.05 1 1216 410 112 LYS HB2 H 1.72 0.05 1 1217 410 112 LYS HB3 H 1.72 0.05 1 1218 410 112 LYS HD2 H 1.41 0.05 2 1219 410 112 LYS HD3 H 1.55 0.05 2 1220 410 112 LYS HE2 H 2.79 0.05 1 1221 410 112 LYS HE3 H 2.79 0.05 1 1222 410 112 LYS HG2 H 1.20 0.05 1 1223 410 112 LYS HG3 H 1.20 0.05 1 1224 410 112 LYS N N 120.73 0.03 1 1225 411 113 LEU C C 177.79 0.50 1 1226 411 113 LEU CA C 58.43 0.50 1 1227 411 113 LEU CB C 42.28 0.50 1 1228 411 113 LEU CD1 C 25.89 0.50 2 1229 411 113 LEU CD2 C 25.62 0.50 2 1230 411 113 LEU CG C 28.01 0.50 1 1231 411 113 LEU H H 7.31 0.02 1 1232 411 113 LEU HA H 3.95 0.05 1 1233 411 113 LEU HB2 H 1.44 0.05 2 1234 411 113 LEU HB3 H 1.75 0.05 2 1235 411 113 LEU HD1 H 0.72 0.05 2 1236 411 113 LEU HD2 H 0.82 0.05 2 1237 411 113 LEU HG H 1.54 0.05 1 1238 411 113 LEU N N 120.72 0.03 1 1239 412 114 ARG C C 177.74 0.50 1 1240 412 114 ARG CA C 59.49 0.50 1 1241 412 114 ARG CB C 30.76 0.50 1 1242 412 114 ARG CD C 43.23 0.50 1 1243 412 114 ARG CG C 26.47 0.50 1 1244 412 114 ARG H H 8.12 0.02 1 1245 412 114 ARG HA H 3.84 0.05 1 1246 412 114 ARG HB2 H 1.89 0.05 2 1247 412 114 ARG HB3 H 1.75 0.05 2 1248 412 114 ARG HD2 H 3.19 0.05 2 1249 412 114 ARG HD3 H 3.12 0.05 2 1250 412 114 ARG HG2 H 1.56 0.05 2 1251 412 114 ARG HG3 H 1.63 0.05 2 1252 412 114 ARG N N 119.75 0.03 1 1253 413 115 GLY C C 176.50 0.50 1 1254 413 115 GLY CA C 47.01 0.50 1 1255 413 115 GLY H H 7.93 0.02 1 1256 413 115 GLY HA2 H 3.83 0.05 1 1257 413 115 GLY HA3 H 3.83 0.05 1 1258 413 115 GLY N N 104.71 0.03 1 1259 414 116 TRP C C 177.70 0.50 1 1260 414 116 TRP CA C 61.05 0.50 1 1261 414 116 TRP CB C 28.64 0.50 1 1262 414 116 TRP CD1 C 127.46 0.50 1 1263 414 116 TRP CE3 C 121.67 0.50 1 1264 414 116 TRP CH2 C 124.11 0.50 1 1265 414 116 TRP CZ2 C 115.81 0.50 1 1266 414 116 TRP CZ3 C 121.60 0.50 1 1267 414 116 TRP H H 7.89 0.02 1 1268 414 116 TRP HA H 4.25 0.05 1 1269 414 116 TRP HB2 H 3.30 0.05 1 1270 414 116 TRP HB3 H 3.30 0.05 1 1271 414 116 TRP HD1 H 7.12 0.05 1 1272 414 116 TRP HE1 H 9.98 0.05 1 1273 414 116 TRP HE3 H 7.55 0.05 1 1274 414 116 TRP HH2 H 6.94 0.05 1 1275 414 116 TRP HZ2 H 7.22 0.05 1 1276 414 116 TRP HZ3 H 6.66 0.05 1 1277 414 116 TRP N N 123.13 0.03 1 1278 414 116 TRP NE1 N 131.72 0.03 1 1279 415 117 PHE C C 176.71 0.50 1 1280 415 117 PHE CA C 61.70 0.50 1 1281 415 117 PHE CB C 39.79 0.50 1 1282 415 117 PHE CD1 C 131.19 0.50 1 1283 415 117 PHE CD2 C 131.19 0.50 1 1284 415 117 PHE CE1 C 131.12 0.50 1 1285 415 117 PHE CE2 C 131.12 0.50 1 1286 415 117 PHE CZ C 129.48 0.50 1 1287 415 117 PHE H H 8.88 0.02 1 1288 415 117 PHE HA H 4.46 0.05 1 1289 415 117 PHE HB2 H 3.01 0.05 1 1290 415 117 PHE HB3 H 3.01 0.05 1 1291 415 117 PHE HD1 H 7.00 0.05 1 1292 415 117 PHE HD2 H 7.00 0.05 1 1293 415 117 PHE HE1 H 7.11 0.05 1 1294 415 117 PHE HE2 H 7.11 0.05 1 1295 415 117 PHE HZ H 7.14 0.05 1 1296 415 117 PHE N N 122.56 0.03 1 1297 416 118 ASP C C 176.91 0.50 1 1298 416 118 ASP CA C 56.24 0.50 1 1299 416 118 ASP CB C 40.36 0.50 1 1300 416 118 ASP H H 8.17 0.02 1 1301 416 118 ASP HA H 4.11 0.05 1 1302 416 118 ASP HB2 H 2.54 0.05 1 1303 416 118 ASP HB3 H 2.54 0.05 1 1304 416 118 ASP N N 117.75 0.03 1 1305 417 119 ALA C C 178.00 0.50 1 1306 417 119 ALA CA C 53.38 0.50 1 1307 417 119 ALA CB C 19.51 0.50 1 1308 417 119 ALA H H 7.14 0.02 1 1309 417 119 ALA HA H 4.09 0.05 1 1310 417 119 ALA HB H 1.28 0.05 1 1311 417 119 ALA N N 121.16 0.03 1 1312 418 120 GLU C C 177.33 0.50 1 1313 418 120 GLU CA C 57.25 0.50 1 1314 418 120 GLU CB C 31.12 0.50 1 1315 418 120 GLU CG C 36.04 0.50 1 1316 418 120 GLU H H 7.86 0.02 1 1317 418 120 GLU HA H 3.99 0.05 1 1318 418 120 GLU HB2 H 1.60 0.05 2 1319 418 120 GLU HB3 H 1.26 0.05 2 1320 418 120 GLU HG2 H 1.82 0.05 1 1321 418 120 GLU HG3 H 1.82 0.05 1 1322 418 120 GLU N N 117.20 0.03 1 1323 419 121 GLY C C 174.40 0.50 1 1324 419 121 GLY CA C 46.38 0.50 1 1325 419 121 GLY H H 7.44 0.02 1 1326 419 121 GLY HA2 H 3.22 0.05 2 1327 419 121 GLY HA3 H 2.60 0.05 2 1328 419 121 GLY N N 107.64 0.03 1 1329 420 122 GLN C C 175.28 0.50 1 1330 420 122 GLN CA C 56.21 0.50 1 1331 420 122 GLN CB C 28.22 0.50 1 1332 420 122 GLN CG C 33.36 0.50 1 1333 420 122 GLN H H 7.73 0.02 1 1334 420 122 GLN HA H 3.54 0.05 1 1335 420 122 GLN HB2 H 1.54 0.05 2 1336 420 122 GLN HB3 H 1.46 0.05 2 1337 420 122 GLN HG2 H 1.92 0.05 2 1338 420 122 GLN HG3 H 1.85 0.05 2 1339 420 122 GLN HE21 H 6.49 0.05 2 1340 420 122 GLN HE22 H 7.17 0.05 2 1341 420 122 GLN N N 118.58 0.03 1 1342 420 122 GLN NE2 N 112.61 0.03 1 1343 421 123 ALA C C 176.70 0.50 1 1344 421 123 ALA CA C 51.69 0.50 1 1345 421 123 ALA CB C 19.14 0.50 1 1346 421 123 ALA H H 7.35 0.02 1 1347 421 123 ALA HA H 4.16 0.05 1 1348 421 123 ALA HB H 1.17 0.05 1 1349 421 123 ALA N N 123.13 0.03 1 1350 422 124 LEU CA C 56.73 0.50 1 1351 422 124 LEU CB C 41.06 0.50 1 1352 422 124 LEU CD1 C 22.83 0.50 2 1353 422 124 LEU CD2 C 26.11 0.50 2 1354 422 124 LEU CG C 27.21 0.50 1 1355 422 124 LEU H H 7.15 0.02 1 1356 422 124 LEU HA H 3.91 0.05 1 1357 422 124 LEU HB2 H 1.46 0.05 1 1358 422 124 LEU HB3 H 1.46 0.05 1 1359 422 124 LEU HD1 H 0.70 0.05 2 1360 422 124 LEU HD2 H 0.85 0.05 2 1361 422 124 LEU HG H 1.46 0.05 1 1362 422 124 LEU N N 126.44 0.03 1 stop_ save_