data_26553 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the Smarc Domain ; _BMRB_accession_number 26553 _BMRB_flat_file_name bmr26553.str _Entry_type original _Submission_date 2015-04-10 _Accession_date 2015-04-10 _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 Allen Mark D. . 2 Freund S. M.V. . 3 Bycroft M. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 706 "13C chemical shifts" 333 "15N chemical shifts" 110 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-08-03 original BMRB . stop_ _Original_release_date 2015-08-03 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structure of the Smarc Domain ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Allen Mark D. . 2 Freund S. M.V. . 3 Bycroft M. . . stop_ _Journal_abbreviation 'To Be Published' _Journal_name_full 'To Be Published' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Solution Structure of the Smarc Domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'SWI/SNF-RELATED MATRIX-ASSOCIATED ACTIN-DEPENDENT OF CHROMATIN SUBFAMILY B M' $SWI-SNF-RELATED_MATRIX-ASSOCIATED_ACTIN-DEPENDENT_OF_CHROMATIN_SUBFAMILY_B_M stop_ _System_molecular_weight 12981.9001 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_SWI-SNF-RELATED_MATRIX-ASSOCIATED_ACTIN-DEPENDENT_OF_CHROMATIN_SUBFAMILY_B_M _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SWI-SNF-RELATED_MATRIX-ASSOCIATED_ACTIN-DEPENDENT_OF_CHROMATIN_SUBFAMILY_B_M _Molecular_mass 12981.9001 _Mol_thiol_state 'not present' _Details 'GGS AT THE N-TERMINUS RESULTS FROM A TEV CLE SITE.' ############################## # Polymer residue sequence # ############################## _Residue_count 115 _Mol_residue_sequence ; GGSMMMALSKTFGQKPVKFQ LEDDGEFYMIGSEVGNYLRM FRGSLYKRYPSLWRRLATVE ERKKIVASSHGKKTKPNTKD HGYTTLATSVTLLKASEVEE ILDGNDEKYKAVSIS ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 GLY 3 SER 4 MET 5 MET 6 MET 7 ALA 8 LEU 9 SER 10 LYS 11 THR 12 PHE 13 GLY 14 GLN 15 LYS 16 PRO 17 VAL 18 LYS 19 PHE 20 GLN 21 LEU 22 GLU 23 ASP 24 ASP 25 GLY 26 GLU 27 PHE 28 TYR 29 MET 30 ILE 31 GLY 32 SER 33 GLU 34 VAL 35 GLY 36 ASN 37 TYR 38 LEU 39 ARG 40 MET 41 PHE 42 ARG 43 GLY 44 SER 45 LEU 46 TYR 47 LYS 48 ARG 49 TYR 50 PRO 51 SER 52 LEU 53 TRP 54 ARG 55 ARG 56 LEU 57 ALA 58 THR 59 VAL 60 GLU 61 GLU 62 ARG 63 LYS 64 LYS 65 ILE 66 VAL 67 ALA 68 SER 69 SER 70 HIS 71 GLY 72 LYS 73 LYS 74 THR 75 LYS 76 PRO 77 ASN 78 THR 79 LYS 80 ASP 81 HIS 82 GLY 83 TYR 84 THR 85 THR 86 LEU 87 ALA 88 THR 89 SER 90 VAL 91 THR 92 LEU 93 LEU 94 LYS 95 ALA 96 SER 97 GLU 98 VAL 99 GLU 100 GLU 101 ILE 102 LEU 103 ASP 104 GLY 105 ASN 106 ASP 107 GLU 108 LYS 109 TYR 110 LYS 111 ALA 112 VAL 113 SER 114 ILE 115 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-19 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 5AJ1 "Solution Structure Of The Smarc Domain" 99.13 115 100.00 100.00 4.73e-77 DBJ BAA95062 "unnamed protein product [Mus musculus]" 97.39 279 100.00 100.00 8.18e-74 DBJ BAB12427 "Integrase interactor 1 [Mus musculus]" 97.39 385 100.00 100.00 1.70e-72 DBJ BAC36045 "unnamed protein product [Mus musculus]" 97.39 385 100.00 100.00 1.61e-72 DBJ BAE90809 "unnamed protein product [Macaca fascicularis]" 97.39 385 98.21 98.21 1.99e-70 DBJ BAG61393 "unnamed protein product [Homo sapiens]" 97.39 271 100.00 100.00 4.50e-75 EMBL CAA09758 "integrase interactor 1a protein (INI1A) [Homo sapiens]" 97.39 385 100.00 100.00 1.61e-72 EMBL CAA09760 "integrase interactor 1a protein (INI1A) [Mus musculus]" 97.39 385 100.00 100.00 1.61e-72 EMBL CAA09761 "integrase interactor 1a protein (INI1A) [Mus musculus]" 97.39 385 100.00 100.00 1.61e-72 EMBL CAA76639 "SNF5/INI1 protein [Homo sapiens]" 71.30 355 100.00 100.00 2.76e-47 EMBL CAG30467 "SMARCB1 [Homo sapiens]" 97.39 385 100.00 100.00 1.61e-72 GB AAA81905 "Ini1 [Homo sapiens]" 97.39 385 100.00 100.00 1.82e-72 GB AAB34227 "transcriptional activator=nuclear protein SNF5 homolog [human, WI38 fibroblasts, Peptide, 385 aa]" 97.39 385 100.00 100.00 1.61e-72 GB AAH25163 "SWI/SNF related, matrix associated, actin dependent regulator of chromatin, subfamily b, member 1 [Mus musculus]" 97.39 385 100.00 100.00 1.61e-72 GB AAI33573 "SWI/SNF related, matrix associated, actin dependent regulator of chromatin, subfamily b, member 1 [Bos taurus]" 97.39 385 99.11 99.11 7.86e-72 GB AAO59167 "integrase interactor 1 protein isoform E [Homo sapiens]" 54.78 89 100.00 100.00 5.13e-35 REF NP_001035647 "SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1 [Bos taurus]" 97.39 385 99.11 99.11 7.86e-72 REF NP_001270057 "uncharacterized protein LOC101866760 [Macaca fascicularis]" 97.39 385 98.21 98.21 1.99e-70 REF NP_003064 "SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1 isoform a [Homo sapiens]" 97.39 385 100.00 100.00 1.61e-72 REF NP_035548 "SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1 isoform 1 [Mus musculus]" 97.39 385 100.00 100.00 1.61e-72 REF XP_001169712 "PREDICTED: SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1 isoform X1 [Pan troglo" 97.39 385 100.00 100.00 1.61e-72 SP Q12824 "RecName: Full=SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1; AltName: Full=BRG1" 97.39 385 100.00 100.00 1.61e-72 SP Q5BIN2 "RecName: Full=SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1; AltName: Full=BRG1" 97.39 385 99.11 99.11 7.86e-72 SP Q9Z0H3 "RecName: Full=SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1; AltName: Full=BRG1" 97.39 385 100.00 100.00 1.61e-72 TPG DAA20401 "TPA: SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1 [Bos taurus]" 97.39 385 99.11 99.11 7.86e-72 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $SWI-SNF-RELATED_MATRIX-ASSOCIATED_ACTIN-DEPENDENT_OF_CHROMATIN_SUBFAMILY_B_M 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_type _Vector_name $SWI-SNF-RELATED_MATRIX-ASSOCIATED_ACTIN-DEPENDENT_OF_CHROMATIN_SUBFAMILY_B_M 'recombinant technology' 'Escherichia coli' Escherichia coli C41 'modified pRSETa' na stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1.5 mmol/l' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SWI-SNF-RELATED_MATRIX-ASSOCIATED_ACTIN-DEPENDENT_OF_CHROMATIN_SUBFAMILY_B_M 1.5 mM '[U-13C; U-15N]' 'potassium phosphate' 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_Ansig _Saveframe_category software _Name Ansig _Version any loop_ _Vendor _Address _Electronic_address Kraulis . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_AutoDep _Saveframe_category software _Name AutoDep _Version 4.3 loop_ _Vendor _Address _Electronic_address PDBe . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version any loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details 'REFINEMENT DETAILS CAN BE FOUND IN THE' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_Avance-600 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _Sample_label $sample_1 save_ save_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _Sample_label $sample_1 save_ save_DQF-COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name DQF-COSY _Sample_label $sample_1 save_ save_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name HSQC _Sample_label $sample_1 save_ save_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_CBCACONH_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label $sample_1 save_ save_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_HNCACO_8 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACO _Sample_label $sample_1 save_ save_HNHB_9 _Saveframe_category NMR_applied_experiment _Experiment_name HNHB _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'pH [6.5], temp [293], pressure [1], ionStrength [100.0]' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100.000 . mM pH 6.500 . pH pressure 1.000 . atm temperature 293.000 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio TMS C 13 'methyl carbonss' ppm 0.0 internal indirect . . . 1 TMS H 1 'methyl protons' ppm 0.0 internal indirect . . . 1 'Liquid NH3' N 15 nitrogen ppm 0.0 internal indirect . . . 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list _Saveframe_category assigned_chemical_shifts _Details 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/5aj1/ebi/smarc.brmb_4.data_edited.csh' loop_ _Software_label $CNS stop_ loop_ _Experiment_label NOESY TOCSY DQF-COSY HSQC HNCACB CBCACONH HNCO HNCACO HNHB 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 'SWI/SNF-RELATED MATRIX-ASSOCIATED ACTIN-DEPENDENT OF CHROMATIN SUBFAMILY B M' _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 2 2 GLY C C 173.990 0.10 1 2 2 2 GLY CA C 45.020 0.10 1 3 3 3 SER H H 8.433 0.01 1 4 3 3 SER HA H 4.447 0.01 1 5 3 3 SER HB2 H 3.853 0.01 2 6 3 3 SER HB3 H 3.888 0.01 2 7 3 3 SER C C 174.720 0.10 1 8 3 3 SER CA C 58.170 0.10 1 9 3 3 SER CB C 63.580 0.10 1 10 3 3 SER N N 115.650 0.10 1 11 4 4 MET H H 8.552 0.01 1 12 4 4 MET HA H 4.460 0.01 1 13 4 4 MET HB2 H 2.024 0.01 2 14 4 4 MET HB3 H 2.087 0.01 2 15 4 4 MET HG2 H 2.591 0.01 2 16 4 4 MET HG3 H 2.519 0.01 2 17 4 4 MET HE H 2.085 0.01 1 18 4 4 MET C C 176.150 0.10 1 19 4 4 MET CA C 55.690 0.10 1 20 4 4 MET CB C 32.270 0.10 1 21 4 4 MET N N 122.340 0.10 1 22 5 5 MET H H 8.338 0.01 1 23 5 5 MET HA H 4.397 0.01 1 24 5 5 MET HB2 H 2.048 0.01 1 25 5 5 MET HB3 H 2.048 0.01 1 26 5 5 MET HG2 H 2.588 0.01 2 27 5 5 MET HG3 H 2.512 0.01 2 28 5 5 MET HE H 2.001 0.01 1 29 5 5 MET C C 176.280 0.10 1 30 5 5 MET CA C 55.670 0.10 1 31 5 5 MET CB C 32.280 0.10 1 32 5 5 MET N N 120.900 0.10 1 33 6 6 MET H H 8.296 0.01 1 34 6 6 MET HA H 4.407 0.01 1 35 6 6 MET HB2 H 2.063 0.01 2 36 6 6 MET HB3 H 2.000 0.01 2 37 6 6 MET HG2 H 2.583 0.01 2 38 6 6 MET HG3 H 2.516 0.01 2 39 6 6 MET HE H 2.028 0.01 1 40 6 6 MET C C 175.910 0.10 1 41 6 6 MET CA C 55.700 0.10 1 42 6 6 MET CB C 32.530 0.10 1 43 6 6 MET N N 121.270 0.10 1 44 7 7 ALA H H 8.233 0.01 1 45 7 7 ALA HA H 4.262 0.01 1 46 7 7 ALA HB H 1.371 0.01 1 47 7 7 ALA C C 177.660 0.10 1 48 7 7 ALA CA C 52.410 0.10 1 49 7 7 ALA CB C 18.920 0.10 1 50 7 7 ALA N N 124.720 0.10 1 51 8 8 LEU H H 8.154 0.01 1 52 8 8 LEU HA H 4.294 0.01 1 53 8 8 LEU HB2 H 1.645 0.01 2 54 8 8 LEU HB3 H 1.561 0.01 2 55 8 8 LEU HG H 1.644 0.01 1 56 8 8 LEU HD1 H 0.900 0.01 2 57 8 8 LEU HD2 H 0.841 0.01 2 58 8 8 LEU C C 177.540 0.10 1 59 8 8 LEU CA C 55.180 0.10 1 60 8 8 LEU CB C 42.000 0.10 1 61 8 8 LEU N N 120.690 0.10 1 62 9 9 SER H H 8.177 0.01 1 63 9 9 SER HA H 4.345 0.01 1 64 9 9 SER HB2 H 3.846 0.01 2 65 9 9 SER HB3 H 3.894 0.01 2 66 9 9 SER C C 174.580 0.10 1 67 9 9 SER CA C 58.300 0.10 1 68 9 9 SER CB C 63.460 0.10 1 69 9 9 SER N N 115.870 0.10 1 70 10 10 LYS H H 8.331 0.01 1 71 10 10 LYS HA H 4.269 0.01 1 72 10 10 LYS HB2 H 1.795 0.01 2 73 10 10 LYS HB3 H 1.735 0.01 2 74 10 10 LYS HG2 H 1.440 0.01 2 75 10 10 LYS HG3 H 1.366 0.01 2 76 10 10 LYS HD2 H 1.653 0.01 1 77 10 10 LYS HD3 H 1.653 0.01 1 78 10 10 LYS HE2 H 2.969 0.01 1 79 10 10 LYS HE3 H 2.969 0.01 1 80 10 10 LYS C C 176.120 0.10 1 81 10 10 LYS CA C 56.550 0.10 1 82 10 10 LYS CB C 32.720 0.10 1 83 10 10 LYS N N 122.870 0.10 1 84 11 11 THR H H 7.639 0.01 1 85 11 11 THR HA H 4.499 0.01 1 86 11 11 THR HB H 3.502 0.01 1 87 11 11 THR HG2 H 0.799 0.01 1 88 11 11 THR C C 174.080 0.10 1 89 11 11 THR CA C 60.290 0.10 1 90 11 11 THR CB C 70.380 0.10 1 91 11 11 THR N N 110.780 0.10 1 92 12 12 PHE H H 8.607 0.01 1 93 12 12 PHE HA H 4.694 0.01 1 94 12 12 PHE HB2 H 2.853 0.01 1 95 12 12 PHE HB3 H 3.163 0.01 1 96 12 12 PHE HD1 H 7.216 0.01 1 97 12 12 PHE HD2 H 7.216 0.01 1 98 12 12 PHE HE1 H 7.298 0.01 1 99 12 12 PHE HE2 H 7.298 0.01 1 100 12 12 PHE HZ H 7.249 0.01 1 101 12 12 PHE C C 175.210 0.10 1 102 12 12 PHE CA C 57.500 0.10 1 103 12 12 PHE CB C 40.720 0.10 1 104 12 12 PHE N N 121.790 0.10 1 105 13 13 GLY H H 8.351 0.01 1 106 13 13 GLY HA2 H 3.723 0.01 2 107 13 13 GLY HA3 H 3.930 0.01 2 108 13 13 GLY C C 173.350 0.10 1 109 13 13 GLY CA C 44.670 0.10 1 110 13 13 GLY N N 111.790 0.10 1 111 14 14 GLN H H 8.319 0.01 1 112 14 14 GLN HA H 4.313 0.01 1 113 14 14 GLN HB2 H 1.995 0.01 2 114 14 14 GLN HB3 H 1.931 0.01 2 115 14 14 GLN HG2 H 2.359 0.01 1 116 14 14 GLN HG3 H 2.359 0.01 1 117 14 14 GLN HE21 H 6.878 0.01 1 118 14 14 GLN HE22 H 7.596 0.01 1 119 14 14 GLN C C 175.360 0.10 1 120 14 14 GLN CA C 55.100 0.10 1 121 14 14 GLN CB C 29.660 0.10 1 122 14 14 GLN N N 119.470 0.10 1 123 15 15 LYS H H 8.404 0.01 1 124 15 15 LYS HA H 3.119 0.01 1 125 15 15 LYS HB2 H 1.479 0.01 1 126 15 15 LYS HB3 H 1.479 0.01 1 127 15 15 LYS HG2 H 1.028 0.01 2 128 15 15 LYS HG3 H 1.252 0.01 2 129 15 15 LYS HD2 H 1.529 0.01 1 130 15 15 LYS HD3 H 1.529 0.01 1 131 15 15 LYS HE2 H 2.779 0.01 1 132 15 15 LYS HE3 H 2.779 0.01 1 133 15 15 LYS C C 174.230 0.10 1 134 15 15 LYS CA C 54.860 0.10 1 135 15 15 LYS CB C 32.180 0.10 1 136 15 15 LYS N N 125.270 0.10 1 137 16 16 PRO HA H 4.350 0.01 1 138 16 16 PRO HB2 H 2.425 0.01 1 139 16 16 PRO HB3 H 2.425 0.01 1 140 16 16 PRO HG2 H 1.665 0.01 2 141 16 16 PRO HG3 H 1.925 0.01 2 142 16 16 PRO HD2 H 2.645 0.01 2 143 16 16 PRO HD3 H 2.966 0.01 2 144 16 16 PRO C C 174.950 0.10 1 145 16 16 PRO CA C 62.520 0.10 1 146 16 16 PRO CB C 32.080 0.10 1 147 17 17 VAL H H 8.476 0.01 1 148 17 17 VAL HA H 3.970 0.01 1 149 17 17 VAL HB H 2.114 0.01 1 150 17 17 VAL HG1 H 1.025 0.01 1 151 17 17 VAL HG2 H 1.025 0.01 1 152 17 17 VAL C C 175.430 0.10 1 153 17 17 VAL CA C 62.130 0.10 1 154 17 17 VAL CB C 32.650 0.10 1 155 17 17 VAL N N 121.510 0.10 1 156 18 18 LYS H H 8.115 0.01 1 157 18 18 LYS HA H 5.518 0.01 1 158 18 18 LYS HB2 H 1.478 0.01 1 159 18 18 LYS HB3 H 1.651 0.01 1 160 18 18 LYS HG2 H 1.107 0.01 2 161 18 18 LYS HG3 H 1.405 0.01 2 162 18 18 LYS HD2 H 1.274 0.01 2 163 18 18 LYS HD3 H 0.946 0.01 2 164 18 18 LYS HE2 H 2.365 0.01 2 165 18 18 LYS HE3 H 2.067 0.01 2 166 18 18 LYS C C 175.590 0.10 1 167 18 18 LYS CA C 53.690 0.10 1 168 18 18 LYS CB C 35.950 0.10 1 169 18 18 LYS N N 122.260 0.10 1 170 19 19 PHE H H 8.598 0.01 1 171 19 19 PHE HA H 5.210 0.01 1 172 19 19 PHE HB2 H 3.135 0.01 1 173 19 19 PHE HB3 H 3.087 0.01 1 174 19 19 PHE HD1 H 6.953 0.01 1 175 19 19 PHE HD2 H 6.953 0.01 1 176 19 19 PHE HE1 H 7.111 0.01 1 177 19 19 PHE HE2 H 7.111 0.01 1 178 19 19 PHE HZ H 6.851 0.01 1 179 19 19 PHE C C 172.810 0.10 1 180 19 19 PHE CA C 55.710 0.10 1 181 19 19 PHE CB C 41.160 0.10 1 182 19 19 PHE N N 116.730 0.10 1 183 20 20 GLN H H 8.783 0.01 1 184 20 20 GLN HA H 4.614 0.01 1 185 20 20 GLN HB2 H 1.862 0.01 1 186 20 20 GLN HB3 H 1.450 0.01 1 187 20 20 GLN HG2 H 1.287 0.01 2 188 20 20 GLN HG3 H 0.868 0.01 2 189 20 20 GLN HE21 H 6.875 0.01 1 190 20 20 GLN HE22 H 7.705 0.01 1 191 20 20 GLN C C 176.130 0.10 1 192 20 20 GLN CA C 53.990 0.10 1 193 20 20 GLN CB C 31.790 0.10 1 194 20 20 GLN N N 119.040 0.10 1 195 21 21 LEU H H 9.611 0.01 1 196 21 21 LEU HA H 4.529 0.01 1 197 21 21 LEU HB2 H 1.719 0.01 1 198 21 21 LEU HB3 H 1.861 0.01 1 199 21 21 LEU HG H 1.796 0.01 1 200 21 21 LEU HD1 H 0.809 0.01 2 201 21 21 LEU HD2 H 0.965 0.01 2 202 21 21 LEU C C 175.810 0.10 1 203 21 21 LEU CA C 54.730 0.10 1 204 21 21 LEU CB C 43.600 0.10 1 205 21 21 LEU N N 121.570 0.10 1 206 22 22 GLU H H 7.749 0.01 1 207 22 22 GLU HA H 4.538 0.01 1 208 22 22 GLU HB2 H 1.760 0.01 2 209 22 22 GLU HB3 H 2.067 0.01 2 210 22 22 GLU HG2 H 2.165 0.01 2 211 22 22 GLU HG3 H 2.086 0.01 2 212 22 22 GLU C C 175.510 0.10 1 213 22 22 GLU CA C 54.080 0.10 1 214 22 22 GLU CB C 32.850 0.10 1 215 22 22 GLU N N 117.080 0.10 1 216 23 23 ASP H H 8.624 0.01 1 217 23 23 ASP HA H 4.210 0.01 1 218 23 23 ASP HB2 H 2.475 0.01 2 219 23 23 ASP HB3 H 2.536 0.01 2 220 23 23 ASP C C 176.540 0.10 1 221 23 23 ASP CA C 55.840 0.10 1 222 23 23 ASP CB C 39.780 0.10 1 223 23 23 ASP N N 122.000 0.10 1 224 24 24 ASP H H 8.805 0.01 1 225 24 24 ASP HA H 4.351 0.01 1 226 24 24 ASP HB2 H 2.684 0.01 2 227 24 24 ASP HB3 H 2.794 0.01 2 228 24 24 ASP C C 175.480 0.10 1 229 24 24 ASP CA C 54.430 0.10 1 230 24 24 ASP CB C 39.860 0.10 1 231 24 24 ASP N N 117.880 0.10 1 232 25 25 GLY H H 7.785 0.01 1 233 25 25 GLY HA2 H 3.857 0.01 2 234 25 25 GLY HA3 H 4.165 0.01 2 235 25 25 GLY C C 174.210 0.10 1 236 25 25 GLY CA C 44.200 0.10 1 237 25 25 GLY N N 105.750 0.10 1 238 26 26 GLU H H 8.128 0.01 1 239 26 26 GLU HA H 4.013 0.01 1 240 26 26 GLU HB2 H 1.453 0.01 2 241 26 26 GLU HB3 H 1.643 0.01 2 242 26 26 GLU HG2 H 1.718 0.01 2 243 26 26 GLU HG3 H 1.823 0.01 2 244 26 26 GLU C C 174.750 0.10 1 245 26 26 GLU CA C 55.800 0.10 1 246 26 26 GLU CB C 30.230 0.10 1 247 26 26 GLU N N 119.240 0.10 1 248 27 27 PHE H H 8.118 0.01 1 249 27 27 PHE HA H 4.418 0.01 1 250 27 27 PHE HB2 H 2.337 0.01 1 251 27 27 PHE HB3 H 2.885 0.01 1 252 27 27 PHE HD1 H 6.967 0.01 1 253 27 27 PHE HD2 H 6.967 0.01 1 254 27 27 PHE HE1 H 7.277 0.01 1 255 27 27 PHE HE2 H 7.277 0.01 1 256 27 27 PHE HZ H 7.202 0.01 1 257 27 27 PHE C C 175.840 0.10 1 258 27 27 PHE CA C 57.340 0.10 1 259 27 27 PHE CB C 41.200 0.10 1 260 27 27 PHE N N 116.800 0.10 1 261 28 28 TYR H H 9.289 0.01 1 262 28 28 TYR HA H 5.626 0.01 1 263 28 28 TYR HB2 H 3.101 0.01 1 264 28 28 TYR HB3 H 1.862 0.01 1 265 28 28 TYR HD1 H 6.917 0.01 1 266 28 28 TYR HD2 H 6.917 0.01 1 267 28 28 TYR HE1 H 6.572 0.01 1 268 28 28 TYR HE2 H 6.572 0.01 1 269 28 28 TYR C C 174.090 0.10 1 270 28 28 TYR CA C 56.040 0.10 1 271 28 28 TYR CB C 43.080 0.10 1 272 28 28 TYR N N 123.050 0.10 1 273 29 29 MET H H 8.702 0.01 1 274 29 29 MET HA H 4.685 0.01 1 275 29 29 MET HB2 H 2.116 0.01 2 276 29 29 MET HB3 H 1.072 0.01 2 277 29 29 MET HG2 H 2.242 0.01 2 278 29 29 MET HG3 H 2.445 0.01 2 279 29 29 MET HE H 1.881 0.01 1 280 29 29 MET C C 174.140 0.10 1 281 29 29 MET CA C 54.440 0.10 1 282 29 29 MET CB C 39.080 0.10 1 283 29 29 MET N N 114.380 0.10 1 284 30 30 ILE H H 9.497 0.01 1 285 30 30 ILE HA H 4.553 0.01 1 286 30 30 ILE HB H 1.868 0.01 1 287 30 30 ILE HG12 H 1.139 0.01 2 288 30 30 ILE HG13 H 1.908 0.01 2 289 30 30 ILE HG2 H 1.276 0.01 1 290 30 30 ILE HD1 H 0.775 0.01 1 291 30 30 ILE C C 178.170 0.10 1 292 30 30 ILE CA C 61.130 0.10 1 293 30 30 ILE CB C 38.400 0.10 1 294 30 30 ILE N N 120.680 0.10 1 295 31 31 GLY H H 9.882 0.01 1 296 31 31 GLY HA2 H 3.727 0.01 2 297 31 31 GLY HA3 H 4.076 0.01 2 298 31 31 GLY C C 176.580 0.10 1 299 31 31 GLY CA C 48.420 0.10 1 300 31 31 GLY N N 117.770 0.10 1 301 32 32 SER H H 8.923 0.01 1 302 32 32 SER HA H 4.337 0.01 1 303 32 32 SER HB2 H 4.118 0.01 2 304 32 32 SER HB3 H 4.043 0.01 2 305 32 32 SER C C 176.760 0.10 1 306 32 32 SER CA C 61.250 0.10 1 307 32 32 SER CB C 61.630 0.10 1 308 32 32 SER N N 117.510 0.10 1 309 33 33 GLU H H 7.059 0.01 1 310 33 33 GLU HA H 4.247 0.01 1 311 33 33 GLU HB2 H 2.169 0.01 1 312 33 33 GLU HB3 H 2.366 0.01 1 313 33 33 GLU HG2 H 2.429 0.01 1 314 33 33 GLU HG3 H 2.429 0.01 1 315 33 33 GLU C C 179.840 0.10 1 316 33 33 GLU CA C 58.900 0.10 1 317 33 33 GLU CB C 29.460 0.10 1 318 33 33 GLU N N 121.540 0.10 1 319 34 34 VAL H H 8.080 0.01 1 320 34 34 VAL HA H 3.541 0.01 1 321 34 34 VAL HB H 2.158 0.01 1 322 34 34 VAL HG1 H 0.835 0.01 2 323 34 34 VAL HG2 H 1.071 0.01 2 324 34 34 VAL C C 177.220 0.10 1 325 34 34 VAL CA C 67.000 0.10 1 326 34 34 VAL CB C 31.080 0.10 1 327 34 34 VAL N N 121.900 0.10 1 328 35 35 GLY H H 8.736 0.01 1 329 35 35 GLY HA2 H 3.527 0.01 2 330 35 35 GLY HA3 H 3.962 0.01 2 331 35 35 GLY C C 175.330 0.10 1 332 35 35 GLY CA C 48.100 0.10 1 333 35 35 GLY N N 105.370 0.10 1 334 36 36 ASN H H 8.048 0.01 1 335 36 36 ASN HA H 4.393 0.01 1 336 36 36 ASN HB2 H 2.970 0.01 2 337 36 36 ASN HB3 H 3.035 0.01 2 338 36 36 ASN HD21 H 6.931 0.01 1 339 36 36 ASN HD22 H 7.858 0.01 1 340 36 36 ASN C C 177.900 0.10 1 341 36 36 ASN CA C 56.140 0.10 1 342 36 36 ASN CB C 37.890 0.10 1 343 36 36 ASN N N 119.200 0.10 1 344 37 37 TYR H H 7.939 0.01 1 345 37 37 TYR HA H 4.833 0.01 1 346 37 37 TYR HB2 H 3.094 0.01 1 347 37 37 TYR HB3 H 3.319 0.01 1 348 37 37 TYR HD1 H 6.922 0.01 1 349 37 37 TYR HD2 H 6.922 0.01 1 350 37 37 TYR HE1 H 6.732 0.01 1 351 37 37 TYR HE2 H 6.732 0.01 1 352 37 37 TYR C C 176.130 0.10 1 353 37 37 TYR CA C 59.880 0.10 1 354 37 37 TYR CB C 39.150 0.10 1 355 37 37 TYR N N 121.260 0.10 1 356 38 38 LEU H H 7.630 0.01 1 357 38 38 LEU HA H 4.166 0.01 1 358 38 38 LEU HB2 H 1.648 0.01 1 359 38 38 LEU HB3 H 1.571 0.01 1 360 38 38 LEU HG H 1.796 0.01 1 361 38 38 LEU HD1 H 0.792 0.01 2 362 38 38 LEU HD2 H 0.754 0.01 2 363 38 38 LEU C C 175.180 0.10 1 364 38 38 LEU CA C 54.030 0.10 1 365 38 38 LEU CB C 42.030 0.10 1 366 38 38 LEU N N 114.140 0.10 1 367 39 39 ARG H H 7.701 0.01 1 368 39 39 ARG HA H 3.058 0.01 1 369 39 39 ARG HB2 H 1.870 0.01 1 370 39 39 ARG HB3 H 1.708 0.01 1 371 39 39 ARG HG2 H 1.374 0.01 2 372 39 39 ARG HG3 H 1.416 0.01 2 373 39 39 ARG HD2 H 3.247 0.01 1 374 39 39 ARG HD3 H 3.247 0.01 1 375 39 39 ARG HE H 6.978 0.01 1 376 39 39 ARG C C 174.370 0.10 1 377 39 39 ARG CA C 56.630 0.10 1 378 39 39 ARG CB C 26.300 0.10 1 379 39 39 ARG N N 115.540 0.10 1 380 40 40 MET H H 8.279 0.01 1 381 40 40 MET HA H 4.270 0.01 1 382 40 40 MET HB2 H 1.506 0.01 2 383 40 40 MET HB3 H 1.566 0.01 2 384 40 40 MET HG2 H 2.244 0.01 2 385 40 40 MET HG3 H 2.283 0.01 2 386 40 40 MET HE H 1.972 0.01 1 387 40 40 MET C C 174.900 0.10 1 388 40 40 MET CA C 54.200 0.10 1 389 40 40 MET CB C 32.820 0.10 1 390 40 40 MET N N 118.490 0.10 1 391 41 41 PHE H H 8.172 0.01 1 392 41 41 PHE HA H 4.722 0.01 1 393 41 41 PHE HB2 H 3.340 0.01 1 394 41 41 PHE HB3 H 2.809 0.01 1 395 41 41 PHE HD1 H 7.261 0.01 1 396 41 41 PHE HD2 H 7.261 0.01 1 397 41 41 PHE HE1 H 7.322 0.01 1 398 41 41 PHE HE2 H 7.322 0.01 1 399 41 41 PHE HZ H 7.164 0.01 1 400 41 41 PHE C C 177.400 0.10 1 401 41 41 PHE CA C 56.650 0.10 1 402 41 41 PHE CB C 40.570 0.10 1 403 41 41 PHE N N 121.430 0.10 1 404 42 42 ARG H H 9.520 0.01 1 405 42 42 ARG HA H 4.039 0.01 1 406 42 42 ARG HB2 H 2.016 0.01 2 407 42 42 ARG HB3 H 1.869 0.01 2 408 42 42 ARG HG2 H 1.613 0.01 1 409 42 42 ARG HG3 H 1.613 0.01 1 410 42 42 ARG HD2 H 3.254 0.01 2 411 42 42 ARG HD3 H 3.196 0.01 2 412 42 42 ARG HE H 7.258 0.01 1 413 42 42 ARG C C 176.090 0.10 1 414 42 42 ARG CA C 57.170 0.10 1 415 42 42 ARG CB C 27.720 0.10 1 416 42 42 ARG N N 119.150 0.10 1 417 43 43 GLY H H 8.492 0.01 1 418 43 43 GLY HA2 H 3.730 0.01 2 419 43 43 GLY HA3 H 4.300 0.01 2 420 43 43 GLY C C 176.200 0.10 1 421 43 43 GLY CA C 45.790 0.10 1 422 43 43 GLY N N 107.890 0.10 1 423 44 44 SER H H 8.085 0.01 1 424 44 44 SER HA H 3.941 0.01 1 425 44 44 SER HB2 H 3.861 0.01 1 426 44 44 SER HB3 H 3.861 0.01 1 427 44 44 SER C C 176.280 0.10 1 428 44 44 SER CA C 61.260 0.10 1 429 44 44 SER CB C 62.810 0.10 1 430 44 44 SER N N 117.950 0.10 1 431 45 45 LEU H H 8.286 0.01 1 432 45 45 LEU HA H 3.936 0.01 1 433 45 45 LEU HB2 H 0.693 0.01 1 434 45 45 LEU HB3 H 1.178 0.01 1 435 45 45 LEU HG H 1.171 0.01 1 436 45 45 LEU HD1 H 0.893 0.01 2 437 45 45 LEU HD2 H 0.563 0.01 2 438 45 45 LEU C C 176.380 0.10 1 439 45 45 LEU CA C 58.100 0.10 1 440 45 45 LEU CB C 42.780 0.10 1 441 45 45 LEU N N 124.390 0.10 1 442 46 46 TYR H H 6.163 0.01 1 443 46 46 TYR HA H 4.223 0.01 1 444 46 46 TYR HB2 H 3.327 0.01 1 445 46 46 TYR HB3 H 2.622 0.01 1 446 46 46 TYR HD1 H 7.002 0.01 1 447 46 46 TYR HD2 H 7.002 0.01 1 448 46 46 TYR HE1 H 6.777 0.01 1 449 46 46 TYR HE2 H 6.777 0.01 1 450 46 46 TYR C C 177.080 0.10 1 451 46 46 TYR CA C 57.070 0.10 1 452 46 46 TYR CB C 36.590 0.10 1 453 46 46 TYR N N 113.230 0.10 1 454 47 47 LYS H H 7.064 0.01 1 455 47 47 LYS HA H 4.123 0.01 1 456 47 47 LYS HB2 H 1.827 0.01 2 457 47 47 LYS HB3 H 1.777 0.01 2 458 47 47 LYS HG2 H 1.473 0.01 2 459 47 47 LYS HG3 H 1.381 0.01 2 460 47 47 LYS HD2 H 1.628 0.01 1 461 47 47 LYS HD3 H 1.628 0.01 1 462 47 47 LYS HE2 H 2.947 0.01 1 463 47 47 LYS HE3 H 2.947 0.01 1 464 47 47 LYS C C 177.730 0.10 1 465 47 47 LYS CA C 57.270 0.10 1 466 47 47 LYS CB C 32.240 0.10 1 467 47 47 LYS N N 116.550 0.10 1 468 48 48 ARG H H 7.501 0.01 1 469 48 48 ARG HA H 3.872 0.01 1 470 48 48 ARG HB2 H 1.548 0.01 2 471 48 48 ARG HB3 H 1.203 0.01 2 472 48 48 ARG HG2 H 0.733 0.01 2 473 48 48 ARG HG3 H 0.936 0.01 2 474 48 48 ARG HD2 H 2.864 0.01 2 475 48 48 ARG HD3 H 2.918 0.01 2 476 48 48 ARG HE H 7.024 0.01 1 477 48 48 ARG C C 176.100 0.10 1 478 48 48 ARG CA C 57.430 0.10 1 479 48 48 ARG CB C 30.050 0.10 1 480 48 48 ARG N N 118.660 0.10 1 481 49 49 TYR H H 7.434 0.01 1 482 49 49 TYR HA H 5.332 0.01 1 483 49 49 TYR HB2 H 2.907 0.01 2 484 49 49 TYR HB3 H 2.928 0.01 2 485 49 49 TYR HD1 H 6.949 0.01 1 486 49 49 TYR HD2 H 6.949 0.01 1 487 49 49 TYR HE1 H 6.572 0.01 1 488 49 49 TYR HE2 H 6.572 0.01 1 489 49 49 TYR C C 173.450 0.10 1 490 49 49 TYR CA C 54.010 0.10 1 491 49 49 TYR CB C 38.180 0.10 1 492 49 49 TYR N N 113.920 0.10 1 493 50 50 PRO HA H 4.742 0.01 1 494 50 50 PRO HB2 H 2.107 0.01 2 495 50 50 PRO HB3 H 2.420 0.01 2 496 50 50 PRO HG2 H 1.947 0.01 2 497 50 50 PRO HG3 H 1.863 0.01 2 498 50 50 PRO HD2 H 3.790 0.01 2 499 50 50 PRO HD3 H 3.354 0.01 2 500 50 50 PRO C C 178.700 0.10 1 501 50 50 PRO CA C 64.490 0.10 1 502 50 50 PRO CB C 31.810 0.10 1 503 51 51 SER H H 7.972 0.01 1 504 51 51 SER HA H 4.776 0.01 1 505 51 51 SER HB2 H 3.999 0.01 2 506 51 51 SER HB3 H 4.171 0.01 2 507 51 51 SER C C 174.350 0.10 1 508 51 51 SER CA C 58.900 0.10 1 509 51 51 SER CB C 63.410 0.10 1 510 51 51 SER N N 110.890 0.10 1 511 52 52 LEU H H 7.588 0.01 1 512 52 52 LEU HA H 4.303 0.01 1 513 52 52 LEU HB2 H 1.650 0.01 1 514 52 52 LEU HB3 H 1.904 0.01 1 515 52 52 LEU HG H 1.769 0.01 1 516 52 52 LEU HD1 H 0.768 0.01 2 517 52 52 LEU HD2 H 0.690 0.01 2 518 52 52 LEU C C 176.870 0.10 1 519 52 52 LEU CA C 55.780 0.10 1 520 52 52 LEU CB C 43.370 0.10 1 521 52 52 LEU N N 123.460 0.10 1 522 53 53 TRP H H 10.421 0.01 1 523 53 53 TRP HA H 4.272 0.01 1 524 53 53 TRP HB2 H 3.365 0.01 1 525 53 53 TRP HB3 H 3.544 0.01 1 526 53 53 TRP HD1 H 7.427 0.01 1 527 53 53 TRP HE1 H 10.052 0.01 1 528 53 53 TRP HE3 H 7.581 0.01 1 529 53 53 TRP HZ2 H 7.481 0.01 1 530 53 53 TRP HZ3 H 6.652 0.01 1 531 53 53 TRP HH2 H 6.873 0.01 1 532 53 53 TRP C C 175.570 0.10 1 533 53 53 TRP CA C 59.480 0.10 1 534 53 53 TRP CB C 29.160 0.10 1 535 53 53 TRP N N 132.500 0.10 1 536 54 54 ARG H H 7.220 0.01 1 537 54 54 ARG HA H 5.112 0.01 1 538 54 54 ARG HB2 H 1.749 0.01 2 539 54 54 ARG HB3 H 1.285 0.01 2 540 54 54 ARG HG2 H 1.058 0.01 2 541 54 54 ARG HG3 H 1.214 0.01 2 542 54 54 ARG HD2 H 2.358 0.01 2 543 54 54 ARG HD3 H 2.545 0.01 2 544 54 54 ARG HE H 6.780 0.01 1 545 54 54 ARG C C 174.480 0.10 1 546 54 54 ARG CA C 55.040 0.10 1 547 54 54 ARG CB C 31.960 0.10 1 548 54 54 ARG N N 120.530 0.10 1 549 55 55 ARG H H 7.560 0.01 1 550 55 55 ARG HA H 4.224 0.01 1 551 55 55 ARG HB2 H 1.320 0.01 1 552 55 55 ARG HB3 H 1.320 0.01 1 553 55 55 ARG HG2 H 1.306 0.01 2 554 55 55 ARG HG3 H 1.116 0.01 2 555 55 55 ARG HD2 H 3.138 0.01 2 556 55 55 ARG HD3 H 3.056 0.01 2 557 55 55 ARG HE H 7.402 0.01 1 558 55 55 ARG C C 173.490 0.10 1 559 55 55 ARG CA C 54.570 0.10 1 560 55 55 ARG CB C 32.590 0.10 1 561 55 55 ARG N N 114.760 0.10 1 562 56 56 LEU H H 8.427 0.01 1 563 56 56 LEU HA H 4.776 0.01 1 564 56 56 LEU HB2 H 1.379 0.01 1 565 56 56 LEU HB3 H 1.564 0.01 1 566 56 56 LEU HG H 1.567 0.01 1 567 56 56 LEU HD1 H 0.833 0.01 2 568 56 56 LEU HD2 H 0.710 0.01 2 569 56 56 LEU C C 178.140 0.10 1 570 56 56 LEU CA C 54.260 0.10 1 571 56 56 LEU CB C 41.700 0.10 1 572 56 56 LEU N N 121.640 0.10 1 573 57 57 ALA H H 8.834 0.01 1 574 57 57 ALA HA H 4.634 0.01 1 575 57 57 ALA HB H 1.254 0.01 1 576 57 57 ALA C C 178.930 0.10 1 577 57 57 ALA CA C 50.780 0.10 1 578 57 57 ALA CB C 18.680 0.10 1 579 57 57 ALA N N 125.680 0.10 1 580 58 58 THR H H 9.663 0.01 1 581 58 58 THR HA H 4.404 0.01 1 582 58 58 THR HB H 4.812 0.01 1 583 58 58 THR HG1 H 5.765 0.01 1 584 58 58 THR HG2 H 1.299 0.01 1 585 58 58 THR C C 175.110 0.10 1 586 58 58 THR CA C 60.820 0.10 1 587 58 58 THR CB C 70.570 0.10 1 588 58 58 THR N N 116.340 0.10 1 589 59 59 VAL H H 8.705 0.01 1 590 59 59 VAL HA H 3.588 0.01 1 591 59 59 VAL HB H 2.079 0.01 1 592 59 59 VAL HG1 H 0.958 0.01 2 593 59 59 VAL HG2 H 1.098 0.01 2 594 59 59 VAL C C 178.290 0.10 1 595 59 59 VAL CA C 66.850 0.10 1 596 59 59 VAL CB C 31.580 0.10 1 597 59 59 VAL N N 120.660 0.10 1 598 60 60 GLU H H 8.421 0.01 1 599 60 60 GLU HA H 3.960 0.01 1 600 60 60 GLU HB2 H 1.978 0.01 1 601 60 60 GLU HB3 H 1.978 0.01 1 602 60 60 GLU HG2 H 2.314 0.01 2 603 60 60 GLU HG3 H 2.366 0.01 2 604 60 60 GLU C C 179.750 0.10 1 605 60 60 GLU CA C 59.560 0.10 1 606 60 60 GLU CB C 28.870 0.10 1 607 60 60 GLU N N 118.580 0.10 1 608 61 61 GLU H H 7.802 0.01 1 609 61 61 GLU HA H 3.859 0.01 1 610 61 61 GLU HB2 H 1.688 0.01 1 611 61 61 GLU HB3 H 2.456 0.01 1 612 61 61 GLU HG2 H 2.242 0.01 1 613 61 61 GLU HG3 H 2.242 0.01 1 614 61 61 GLU C C 178.670 0.10 1 615 61 61 GLU CA C 59.000 0.10 1 616 61 61 GLU CB C 29.650 0.10 1 617 61 61 GLU N N 120.280 0.10 1 618 62 62 ARG H H 8.752 0.01 1 619 62 62 ARG HA H 3.719 0.01 1 620 62 62 ARG HB2 H 1.927 0.01 2 621 62 62 ARG HB3 H 1.887 0.01 2 622 62 62 ARG HG2 H 1.718 0.01 1 623 62 62 ARG HG3 H 1.718 0.01 1 624 62 62 ARG HD2 H 2.967 0.01 1 625 62 62 ARG HD3 H 2.967 0.01 1 626 62 62 ARG HE H 6.949 0.01 1 627 62 62 ARG C C 178.140 0.10 1 628 62 62 ARG CA C 60.310 0.10 1 629 62 62 ARG CB C 29.680 0.10 1 630 62 62 ARG N N 118.070 0.10 1 631 63 63 LYS H H 7.675 0.01 1 632 63 63 LYS HA H 3.905 0.01 1 633 63 63 LYS HB2 H 1.885 0.01 1 634 63 63 LYS HB3 H 1.885 0.01 1 635 63 63 LYS HG2 H 1.370 0.01 1 636 63 63 LYS HG3 H 1.370 0.01 1 637 63 63 LYS HD2 H 1.651 0.01 1 638 63 63 LYS HD3 H 1.651 0.01 1 639 63 63 LYS HE2 H 2.842 0.01 2 640 63 63 LYS HE3 H 2.905 0.01 2 641 63 63 LYS C C 179.000 0.10 1 642 63 63 LYS CA C 59.610 0.10 1 643 63 63 LYS CB C 32.090 0.10 1 644 63 63 LYS N N 117.430 0.10 1 645 64 64 LYS H H 7.470 0.01 1 646 64 64 LYS HA H 4.067 0.01 1 647 64 64 LYS HB2 H 1.976 0.01 1 648 64 64 LYS HB3 H 1.976 0.01 1 649 64 64 LYS HG2 H 1.612 0.01 2 650 64 64 LYS HG3 H 1.451 0.01 2 651 64 64 LYS HD2 H 1.684 0.01 2 652 64 64 LYS HD3 H 1.758 0.01 2 653 64 64 LYS HE2 H 2.970 0.01 1 654 64 64 LYS HE3 H 2.970 0.01 1 655 64 64 LYS C C 178.840 0.10 1 656 64 64 LYS CA C 58.920 0.10 1 657 64 64 LYS CB C 32.390 0.10 1 658 64 64 LYS N N 119.480 0.10 1 659 65 65 ILE H H 8.077 0.01 1 660 65 65 ILE HA H 3.253 0.01 1 661 65 65 ILE HB H 1.687 0.01 1 662 65 65 ILE HG12 H 1.696 0.01 2 663 65 65 ILE HG13 H 0.341 0.01 2 664 65 65 ILE HG2 H 0.376 0.01 1 665 65 65 ILE HD1 H 0.599 0.01 1 666 65 65 ILE C C 178.680 0.10 1 667 65 65 ILE CA C 64.880 0.10 1 668 65 65 ILE CB C 38.120 0.10 1 669 65 65 ILE N N 121.050 0.10 1 670 66 66 VAL H H 7.990 0.01 1 671 66 66 VAL HA H 3.679 0.01 1 672 66 66 VAL HB H 2.065 0.01 1 673 66 66 VAL HG1 H 0.884 0.01 2 674 66 66 VAL HG2 H 0.964 0.01 2 675 66 66 VAL C C 177.560 0.10 1 676 66 66 VAL CA C 65.250 0.10 1 677 66 66 VAL CB C 31.650 0.10 1 678 66 66 VAL N N 119.490 0.10 1 679 67 67 ALA H H 7.745 0.01 1 680 67 67 ALA HA H 4.198 0.01 1 681 67 67 ALA HB H 1.452 0.01 1 682 67 67 ALA C C 178.780 0.10 1 683 67 67 ALA CA C 53.770 0.10 1 684 67 67 ALA CB C 18.540 0.10 1 685 67 67 ALA N N 121.670 0.10 1 686 68 68 SER H H 7.849 0.01 1 687 68 68 SER HA H 4.435 0.01 1 688 68 68 SER HB2 H 3.955 0.01 2 689 68 68 SER HB3 H 3.988 0.01 2 690 68 68 SER C C 174.740 0.10 1 691 68 68 SER CA C 59.260 0.10 1 692 68 68 SER CB C 63.640 0.10 1 693 68 68 SER N N 113.100 0.10 1 694 69 69 SER H H 8.054 0.01 1 695 69 69 SER HA H 4.351 0.01 1 696 69 69 SER HB2 H 3.866 0.01 2 697 69 69 SER HB3 H 3.917 0.01 2 698 69 69 SER C C 174.640 0.10 1 699 69 69 SER CA C 59.180 0.10 1 700 69 69 SER CB C 63.260 0.10 1 701 69 69 SER N N 115.880 0.10 1 702 70 70 HIS H H 8.147 0.01 1 703 70 70 HIS HA H 4.521 0.01 1 704 70 70 HIS HB2 H 3.136 0.01 2 705 70 70 HIS HB3 H 3.043 0.01 2 706 70 70 HIS HD2 H 7.134 0.01 1 707 70 70 HIS HE1 H 8.188 0.01 1 708 70 70 HIS C C 175.600 0.10 1 709 70 70 HIS CA C 56.880 0.10 1 710 70 70 HIS CB C 29.640 0.10 1 711 70 70 HIS N N 120.200 0.10 1 712 71 71 GLY H H 8.270 0.01 1 713 71 71 GLY HA2 H 3.942 0.10 1 714 71 71 GLY HA3 H 3.942 0.10 1 715 71 71 GLY C C 174.090 0.10 1 716 71 71 GLY CA C 45.260 0.10 1 717 71 71 GLY N N 108.690 0.10 1 718 72 72 LYS H H 8.052 0.01 1 719 72 72 LYS HA H 4.309 0.01 1 720 72 72 LYS HB2 H 1.762 0.01 2 721 72 72 LYS HB3 H 1.842 0.01 2 722 72 72 LYS HG2 H 1.451 0.01 1 723 72 72 LYS HG3 H 1.451 0.01 1 724 72 72 LYS HD2 H 1.660 0.01 1 725 72 72 LYS HD3 H 1.660 0.01 1 726 72 72 LYS HE2 H 2.969 0.01 1 727 72 72 LYS HE3 H 2.969 0.01 1 728 72 72 LYS C C 176.600 0.10 1 729 72 72 LYS CA C 56.160 0.10 1 730 72 72 LYS CB C 32.830 0.10 1 731 72 72 LYS N N 120.190 0.10 1 732 73 73 LYS H H 8.362 0.01 1 733 73 73 LYS HA H 4.364 0.01 1 734 73 73 LYS HB2 H 1.846 0.01 1 735 73 73 LYS HB3 H 1.753 0.01 1 736 73 73 LYS HG2 H 1.451 0.01 1 737 73 73 LYS HG3 H 1.451 0.01 1 738 73 73 LYS HD2 H 1.656 0.01 1 739 73 73 LYS HD3 H 1.656 0.01 1 740 73 73 LYS HE2 H 2.972 0.01 1 741 73 73 LYS HE3 H 2.972 0.01 1 742 73 73 LYS C C 176.540 0.10 1 743 73 73 LYS CA C 56.310 0.10 1 744 73 73 LYS CB C 32.710 0.10 1 745 73 73 LYS N N 121.410 0.10 1 746 74 74 THR H H 8.050 0.01 1 747 74 74 THR HA H 4.279 0.01 1 748 74 74 THR HB H 4.144 0.01 1 749 74 74 THR HG2 H 1.150 0.01 1 750 74 74 THR C C 174.020 0.10 1 751 74 74 THR CA C 61.490 0.10 1 752 74 74 THR CB C 69.620 0.10 1 753 74 74 THR N N 114.800 0.10 1 754 75 75 LYS H H 8.318 0.01 1 755 75 75 LYS HA H 4.586 0.01 1 756 75 75 LYS HB2 H 1.702 0.01 2 757 75 75 LYS HB3 H 1.813 0.01 2 758 75 75 LYS HG2 H 1.459 0.01 2 759 75 75 LYS HG3 H 1.422 0.01 2 760 75 75 LYS HD2 H 1.662 0.01 1 761 75 75 LYS HD3 H 1.662 0.01 1 762 75 75 LYS HE2 H 2.971 0.01 1 763 75 75 LYS HE3 H 2.971 0.01 1 764 75 75 LYS C C 174.310 0.10 1 765 75 75 LYS CA C 54.060 0.10 1 766 75 75 LYS CB C 32.350 0.10 1 767 75 75 LYS N N 124.310 0.10 1 768 76 76 PRO HA H 4.354 0.01 1 769 76 76 PRO HB2 H 1.858 0.01 2 770 76 76 PRO HB3 H 2.236 0.01 2 771 76 76 PRO HG2 H 1.955 0.01 2 772 76 76 PRO HG3 H 1.980 0.01 2 773 76 76 PRO HD2 H 3.777 0.01 2 774 76 76 PRO HD3 H 3.623 0.01 2 775 76 76 PRO C C 176.450 0.10 1 776 76 76 PRO CA C 63.150 0.10 1 777 76 76 PRO CB C 31.930 0.10 1 778 77 77 ASN H H 8.615 0.01 1 779 77 77 ASN HA H 4.687 0.01 1 780 77 77 ASN HB2 H 2.813 0.01 2 781 77 77 ASN HB3 H 2.863 0.01 2 782 77 77 ASN HD21 H 6.953 0.01 1 783 77 77 ASN HD22 H 7.624 0.01 1 784 77 77 ASN C C 175.210 0.10 1 785 77 77 ASN CA C 53.190 0.10 1 786 77 77 ASN CB C 38.330 0.10 1 787 77 77 ASN N N 117.890 0.10 1 788 78 78 THR H H 7.987 0.01 1 789 78 78 THR HA H 4.279 0.01 1 790 78 78 THR HB H 4.231 0.01 1 791 78 78 THR HG2 H 1.153 0.01 1 792 78 78 THR C C 174.470 0.10 1 793 78 78 THR CA C 61.700 0.10 1 794 78 78 THR CB C 69.650 0.10 1 795 78 78 THR N N 113.220 0.10 1 796 79 79 LYS H H 8.350 0.01 1 797 79 79 LYS HA H 4.233 0.01 1 798 79 79 LYS HB2 H 1.771 0.01 2 799 79 79 LYS HB3 H 1.711 0.01 2 800 79 79 LYS HG2 H 1.378 0.01 1 801 79 79 LYS HG3 H 1.378 0.01 1 802 79 79 LYS HD2 H 1.628 0.01 1 803 79 79 LYS HD3 H 1.628 0.01 1 804 79 79 LYS HE2 H 2.948 0.01 1 805 79 79 LYS HE3 H 2.948 0.01 1 806 79 79 LYS C C 176.120 0.10 1 807 79 79 LYS CA C 56.390 0.10 1 808 79 79 LYS CB C 32.470 0.10 1 809 79 79 LYS N N 122.240 0.10 1 810 80 80 ASP H H 8.148 0.01 1 811 80 80 ASP HA H 4.511 0.01 1 812 80 80 ASP HB2 H 2.565 0.01 2 813 80 80 ASP HB3 H 2.622 0.01 2 814 80 80 ASP C C 175.780 0.10 1 815 80 80 ASP CA C 54.110 0.10 1 816 80 80 ASP CB C 41.010 0.10 1 817 80 80 ASP N N 120.130 0.10 1 818 81 81 HIS H H 8.236 0.01 1 819 81 81 HIS HA H 4.565 0.01 1 820 81 81 HIS HB2 H 3.166 0.01 2 821 81 81 HIS HB3 H 3.042 0.01 2 822 81 81 HIS HD2 H 7.110 0.01 1 823 81 81 HIS HE1 H 8.201 0.01 1 824 81 81 HIS C C 175.280 0.10 1 825 81 81 HIS CA C 55.890 0.10 1 826 81 81 HIS CB C 29.680 0.10 1 827 81 81 HIS N N 119.390 0.10 1 828 82 82 GLY H H 8.407 0.01 1 829 82 82 GLY HA2 H 3.856 0.10 1 830 82 82 GLY HA3 H 3.856 0.10 1 831 82 82 GLY C C 173.820 0.10 1 832 82 82 GLY CA C 45.200 0.10 1 833 82 82 GLY N N 109.040 0.10 1 834 83 83 TYR H H 8.125 0.01 1 835 83 83 TYR HA H 4.589 0.01 1 836 83 83 TYR HB2 H 2.936 0.01 2 837 83 83 TYR HB3 H 3.039 0.01 2 838 83 83 TYR HD1 H 7.055 0.01 1 839 83 83 TYR HD2 H 7.055 0.01 1 840 83 83 TYR HE1 H 6.763 0.01 1 841 83 83 TYR HE2 H 6.763 0.01 1 842 83 83 TYR C C 175.930 0.10 1 843 83 83 TYR CA C 57.890 0.10 1 844 83 83 TYR CB C 38.560 0.10 1 845 83 83 TYR N N 119.850 0.10 1 846 84 84 THR H H 8.139 0.01 1 847 84 84 THR HA H 4.320 0.01 1 848 84 84 THR HB H 4.159 0.01 1 849 84 84 THR HG2 H 1.141 0.01 1 850 84 84 THR C C 174.200 0.10 1 851 84 84 THR CA C 61.730 0.10 1 852 84 84 THR CB C 69.440 0.10 1 853 84 84 THR N N 115.480 0.10 1 854 85 85 THR H H 8.078 0.01 1 855 85 85 THR HA H 4.309 0.01 1 856 85 85 THR HB H 4.206 0.01 1 857 85 85 THR HG2 H 1.171 0.01 1 858 85 85 THR C C 174.180 0.10 1 859 85 85 THR CA C 61.500 0.10 1 860 85 85 THR CB C 69.440 0.10 1 861 85 85 THR N N 116.080 0.10 1 862 86 86 LEU H H 8.159 0.01 1 863 86 86 LEU HA H 4.258 0.01 1 864 86 86 LEU HB2 H 1.545 0.01 1 865 86 86 LEU HB3 H 1.545 0.01 1 866 86 86 LEU HG H 1.450 0.01 1 867 86 86 LEU HD1 H 0.848 0.01 2 868 86 86 LEU HD2 H 0.788 0.01 2 869 86 86 LEU C C 176.690 0.10 1 870 86 86 LEU CA C 55.110 0.10 1 871 86 86 LEU CB C 42.290 0.10 1 872 86 86 LEU N N 124.030 0.10 1 873 87 87 ALA H H 8.247 0.01 1 874 87 87 ALA HA H 4.286 0.01 1 875 87 87 ALA HB H 1.407 0.01 1 876 87 87 ALA C C 177.560 0.10 1 877 87 87 ALA CA C 52.270 0.10 1 878 87 87 ALA CB C 19.180 0.10 1 879 87 87 ALA N N 124.320 0.10 1 880 88 88 THR H H 8.072 0.01 1 881 88 88 THR HA H 4.091 0.01 1 882 88 88 THR HB H 4.202 0.01 1 883 88 88 THR HG2 H 1.211 0.01 1 884 88 88 THR C C 174.210 0.10 1 885 88 88 THR CA C 63.150 0.10 1 886 88 88 THR CB C 69.180 0.10 1 887 88 88 THR N N 112.950 0.10 1 888 89 89 SER H H 7.949 0.01 1 889 89 89 SER HA H 4.478 0.01 1 890 89 89 SER HB2 H 3.749 0.01 1 891 89 89 SER HB3 H 3.749 0.01 1 892 89 89 SER C C 173.050 0.10 1 893 89 89 SER CA C 57.460 0.10 1 894 89 89 SER CB C 63.680 0.10 1 895 89 89 SER N N 116.220 0.10 1 896 90 90 VAL H H 8.776 0.01 1 897 90 90 VAL HA H 4.285 0.01 1 898 90 90 VAL HB H 1.778 0.01 1 899 90 90 VAL HG1 H 0.895 0.01 1 900 90 90 VAL HG2 H 0.895 0.01 1 901 90 90 VAL C C 173.940 0.10 1 902 90 90 VAL CA C 61.490 0.10 1 903 90 90 VAL CB C 35.250 0.10 1 904 90 90 VAL N N 125.180 0.10 1 905 91 91 THR H H 8.968 0.01 1 906 91 91 THR HA H 4.436 0.01 1 907 91 91 THR HB H 4.116 0.01 1 908 91 91 THR HG2 H 0.945 0.01 1 909 91 91 THR C C 172.910 0.10 1 910 91 91 THR CA C 63.040 0.10 1 911 91 91 THR CB C 69.670 0.10 1 912 91 91 THR N N 126.090 0.10 1 913 92 92 LEU H H 9.328 0.01 1 914 92 92 LEU HA H 4.929 0.01 1 915 92 92 LEU HB2 H 1.173 0.01 1 916 92 92 LEU HB3 H 1.773 0.01 1 917 92 92 LEU HG H 1.513 0.01 1 918 92 92 LEU HD1 H 0.330 0.01 2 919 92 92 LEU HD2 H 0.750 0.01 2 920 92 92 LEU C C 174.060 0.10 1 921 92 92 LEU CA C 53.840 0.10 1 922 92 92 LEU CB C 43.330 0.10 1 923 92 92 LEU N N 128.020 0.10 1 924 93 93 LEU H H 8.716 0.01 1 925 93 93 LEU HA H 5.294 0.01 1 926 93 93 LEU HB2 H 1.858 0.01 1 927 93 93 LEU HB3 H 1.284 0.01 1 928 93 93 LEU HG H 1.654 0.01 1 929 93 93 LEU HD1 H 0.929 0.01 1 930 93 93 LEU HD2 H 0.929 0.01 1 931 93 93 LEU C C 177.910 0.10 1 932 93 93 LEU CA C 52.450 0.10 1 933 93 93 LEU CB C 44.630 0.10 1 934 93 93 LEU N N 116.960 0.10 1 935 94 94 LYS H H 10.730 0.01 1 936 94 94 LYS HA H 4.232 0.01 1 937 94 94 LYS HB2 H 1.795 0.01 1 938 94 94 LYS HB3 H 1.615 0.01 1 939 94 94 LYS HG2 H 1.150 0.01 2 940 94 94 LYS HG3 H 0.711 0.01 2 941 94 94 LYS HD2 H 0.886 0.01 2 942 94 94 LYS HD3 H 0.765 0.01 2 943 94 94 LYS HE2 H 1.834 0.01 2 944 94 94 LYS HE3 H 0.925 0.01 2 945 94 94 LYS C C 177.010 0.10 1 946 94 94 LYS CA C 56.640 0.10 1 947 94 94 LYS CB C 32.890 0.10 1 948 94 94 LYS N N 122.150 0.10 1 949 95 95 ALA H H 8.464 0.01 1 950 95 95 ALA HA H 3.931 0.01 1 951 95 95 ALA HB H 1.106 0.01 1 952 95 95 ALA C C 178.090 0.10 1 953 95 95 ALA CA C 54.700 0.10 1 954 95 95 ALA CB C 19.450 0.10 1 955 95 95 ALA N N 128.120 0.10 1 956 96 96 SER H H 9.043 0.01 1 957 96 96 SER HA H 3.793 0.01 1 958 96 96 SER HB2 H 3.965 0.01 1 959 96 96 SER HB3 H 3.965 0.01 1 960 96 96 SER C C 176.760 0.10 1 961 96 96 SER CA C 61.260 0.10 1 962 96 96 SER CB C 61.530 0.10 1 963 96 96 SER N N 110.790 0.10 1 964 97 97 GLU H H 6.558 0.01 1 965 97 97 GLU HA H 4.111 0.01 1 966 97 97 GLU HB2 H 2.240 0.01 2 967 97 97 GLU HB3 H 2.541 0.01 2 968 97 97 GLU HG2 H 2.432 0.01 1 969 97 97 GLU HG3 H 2.432 0.01 1 970 97 97 GLU C C 177.760 0.10 1 971 97 97 GLU CA C 58.890 0.10 1 972 97 97 GLU CB C 29.210 0.10 1 973 97 97 GLU N N 121.460 0.10 1 974 98 98 VAL H H 7.567 0.01 1 975 98 98 VAL HA H 3.118 0.01 1 976 98 98 VAL HB H 2.116 0.01 1 977 98 98 VAL HG1 H 0.777 0.01 2 978 98 98 VAL HG2 H 0.925 0.01 2 979 98 98 VAL C C 177.960 0.10 1 980 98 98 VAL CA C 66.510 0.10 1 981 98 98 VAL CB C 31.370 0.10 1 982 98 98 VAL N N 117.760 0.10 1 983 99 99 GLU H H 8.797 0.01 1 984 99 99 GLU HA H 3.718 0.01 1 985 99 99 GLU HB2 H 1.904 0.01 1 986 99 99 GLU HB3 H 1.904 0.01 1 987 99 99 GLU HG2 H 2.066 0.01 2 988 99 99 GLU HG3 H 2.345 0.01 2 989 99 99 GLU C C 178.760 0.10 1 990 99 99 GLU CA C 59.670 0.10 1 991 99 99 GLU CB C 28.340 0.10 1 992 99 99 GLU N N 116.810 0.10 1 993 100 100 GLU H H 7.137 0.01 1 994 100 100 GLU HA H 4.211 0.01 1 995 100 100 GLU HB2 H 2.437 0.01 1 996 100 100 GLU HB3 H 2.437 0.01 1 997 100 100 GLU HG2 H 2.498 0.01 2 998 100 100 GLU HG3 H 2.789 0.01 2 999 100 100 GLU C C 178.920 0.10 1 1000 100 100 GLU CA C 59.930 0.10 1 1001 100 100 GLU CB C 28.940 0.10 1 1002 100 100 GLU N N 118.210 0.10 1 1003 101 101 ILE H H 7.490 0.01 1 1004 101 101 ILE HA H 3.219 0.01 1 1005 101 101 ILE HB H 1.910 0.01 1 1006 101 101 ILE HG12 H 1.475 0.01 2 1007 101 101 ILE HG13 H 0.325 0.01 2 1008 101 101 ILE HG2 H 0.595 0.01 1 1009 101 101 ILE HD1 H -0.120 0.01 1 1010 101 101 ILE C C 180.180 0.10 1 1011 101 101 ILE CA C 66.290 0.10 1 1012 101 101 ILE CB C 37.190 0.10 1 1013 101 101 ILE N N 120.200 0.10 1 1014 102 102 LEU H H 8.797 0.01 1 1015 102 102 LEU HA H 4.010 0.01 1 1016 102 102 LEU HB2 H 1.557 0.01 1 1017 102 102 LEU HB3 H 1.943 0.01 1 1018 102 102 LEU HG H 1.997 0.01 1 1019 102 102 LEU HD1 H 0.816 0.01 2 1020 102 102 LEU HD2 H 0.916 0.01 2 1021 102 102 LEU C C 178.240 0.10 1 1022 102 102 LEU CA C 57.280 0.10 1 1023 102 102 LEU CB C 39.950 0.10 1 1024 102 102 LEU N N 120.700 0.10 1 1025 103 103 ASP H H 7.661 0.01 1 1026 103 103 ASP HA H 4.723 0.01 1 1027 103 103 ASP HB2 H 2.786 0.01 1 1028 103 103 ASP HB3 H 2.786 0.01 1 1029 103 103 ASP C C 176.280 0.10 1 1030 103 103 ASP CA C 54.270 0.10 1 1031 103 103 ASP CB C 41.240 0.10 1 1032 103 103 ASP N N 117.890 0.10 1 1033 104 104 GLY H H 7.980 0.01 1 1034 104 104 GLY HA2 H 3.757 0.01 2 1035 104 104 GLY HA3 H 4.307 0.01 2 1036 104 104 GLY C C 173.790 0.10 1 1037 104 104 GLY CA C 44.950 0.10 1 1038 104 104 GLY N N 106.630 0.10 1 1039 105 105 ASN H H 8.323 0.01 1 1040 105 105 ASN HA H 5.199 0.01 1 1041 105 105 ASN HB2 H 2.660 0.01 2 1042 105 105 ASN HB3 H 2.974 0.01 2 1043 105 105 ASN HD21 H 6.880 0.01 1 1044 105 105 ASN HD22 H 7.737 0.01 1 1045 105 105 ASN C C 174.140 0.10 1 1046 105 105 ASN CA C 51.220 0.10 1 1047 105 105 ASN CB C 37.470 0.10 1 1048 105 105 ASN N N 122.280 0.10 1 1049 106 106 ASP H H 8.109 0.01 1 1050 106 106 ASP HA H 4.625 0.01 1 1051 106 106 ASP HB2 H 2.434 0.01 1 1052 106 106 ASP HB3 H 3.172 0.01 1 1053 106 106 ASP C C 177.770 0.10 1 1054 106 106 ASP CA C 53.170 0.10 1 1055 106 106 ASP CB C 42.600 0.10 1 1056 106 106 ASP N N 115.520 0.10 1 1057 107 107 GLU H H 8.417 0.01 1 1058 107 107 GLU HA H 3.779 0.01 1 1059 107 107 GLU HB2 H 1.982 0.01 2 1060 107 107 GLU HB3 H 2.152 0.01 2 1061 107 107 GLU HG2 H 2.329 0.01 2 1062 107 107 GLU HG3 H 2.236 0.01 2 1063 107 107 GLU C C 179.380 0.10 1 1064 107 107 GLU CA C 60.450 0.10 1 1065 107 107 GLU CB C 29.160 0.10 1 1066 107 107 GLU N N 122.540 0.10 1 1067 108 108 LYS H H 8.402 0.01 1 1068 108 108 LYS HA H 3.943 0.01 1 1069 108 108 LYS HB2 H 1.407 0.01 2 1070 108 108 LYS HB3 H 1.201 0.01 2 1071 108 108 LYS HG2 H 0.757 0.01 2 1072 108 108 LYS HG3 H 0.403 0.01 2 1073 108 108 LYS HD2 H 1.411 0.01 1 1074 108 108 LYS HD3 H 1.411 0.01 1 1075 108 108 LYS HE2 H 2.741 0.01 1 1076 108 108 LYS HE3 H 2.741 0.01 1 1077 108 108 LYS C C 176.950 0.10 1 1078 108 108 LYS CA C 57.830 0.10 1 1079 108 108 LYS CB C 31.000 0.10 1 1080 108 108 LYS N N 115.920 0.10 1 1081 109 109 TYR H H 7.118 0.01 1 1082 109 109 TYR HA H 4.310 0.01 1 1083 109 109 TYR HB2 H 3.133 0.01 1 1084 109 109 TYR HB3 H 2.610 0.01 1 1085 109 109 TYR HD1 H 6.683 0.01 1 1086 109 109 TYR HD2 H 6.683 0.01 1 1087 109 109 TYR HE1 H 6.828 0.01 1 1088 109 109 TYR HE2 H 6.828 0.01 1 1089 109 109 TYR C C 175.480 0.10 1 1090 109 109 TYR CA C 59.060 0.10 1 1091 109 109 TYR CB C 38.310 0.10 1 1092 109 109 TYR N N 115.780 0.10 1 1093 110 110 LYS H H 7.518 0.01 1 1094 110 110 LYS HA H 4.715 0.01 1 1095 110 110 LYS HB2 H 2.071 0.01 1 1096 110 110 LYS HB3 H 1.934 0.01 1 1097 110 110 LYS HG2 H 1.553 0.01 2 1098 110 110 LYS HG3 H 1.852 0.01 2 1099 110 110 LYS HD2 H 1.716 0.01 1 1100 110 110 LYS HD3 H 1.716 0.01 1 1101 110 110 LYS HE2 H 2.884 0.01 2 1102 110 110 LYS HE3 H 2.819 0.01 2 1103 110 110 LYS C C 175.790 0.10 1 1104 110 110 LYS CA C 57.150 0.10 1 1105 110 110 LYS CB C 33.950 0.10 1 1106 110 110 LYS N N 117.810 0.10 1 1107 111 111 ALA H H 7.375 0.01 1 1108 111 111 ALA HA H 4.268 0.01 1 1109 111 111 ALA HB H 1.367 0.01 1 1110 111 111 ALA C C 177.110 0.10 1 1111 111 111 ALA CA C 52.210 0.10 1 1112 111 111 ALA CB C 19.190 0.10 1 1113 111 111 ALA N N 120.850 0.10 1 1114 112 112 VAL H H 8.282 0.01 1 1115 112 112 VAL HA H 4.005 0.01 1 1116 112 112 VAL HB H 2.042 0.01 1 1117 112 112 VAL HG1 H 0.950 0.01 2 1118 112 112 VAL HG2 H 0.956 0.01 2 1119 112 112 VAL C C 175.940 0.10 1 1120 112 112 VAL CA C 62.120 0.10 1 1121 112 112 VAL CB C 32.550 0.10 1 1122 112 112 VAL N N 119.700 0.10 1 1123 113 113 SER H H 8.360 0.01 1 1124 113 113 SER HA H 4.507 0.01 1 1125 113 113 SER HB2 H 3.811 0.01 1 1126 113 113 SER HB3 H 3.811 0.01 1 1127 113 113 SER C C 174.200 0.10 1 1128 113 113 SER CA C 57.690 0.10 1 1129 113 113 SER CB C 63.620 0.10 1 1130 113 113 SER N N 119.470 0.10 1 1131 114 114 ILE H H 8.348 0.01 1 1132 114 114 ILE HA H 4.270 0.01 1 1133 114 114 ILE HB H 1.902 0.01 1 1134 114 114 ILE HG12 H 1.174 0.01 1 1135 114 114 ILE HG13 H 1.174 0.01 1 1136 114 114 ILE HG2 H 0.912 0.01 1 1137 114 114 ILE HD1 H 0.845 0.01 1 1138 114 114 ILE C C 175.350 0.10 1 1139 114 114 ILE CA C 61.130 0.10 1 1140 114 114 ILE CB C 38.770 0.10 1 1141 114 114 ILE N N 123.270 0.10 1 1142 115 115 SER H H 7.973 0.01 1 1143 115 115 SER HA H 4.266 0.01 1 1144 115 115 SER HB2 H 3.810 0.01 1 1145 115 115 SER HB3 H 3.810 0.01 1 1146 115 115 SER C C 178.390 0.10 1 1147 115 115 SER CA C 59.620 0.10 1 1148 115 115 SER CB C 64.620 0.10 1 1149 115 115 SER N N 124.930 0.10 1 stop_ save_