data_7287 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and side chain 1H, 13C and 15N Chemical Shift Assignments for human BRD7 bromodomain ; _BMRB_accession_number 7287 _BMRB_flat_file_name bmr7287.str _Entry_type original _Submission_date 2006-09-02 _Accession_date 2006-09-05 _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 Sun Hongbin . . 2 Liu Jiangxin . . 3 Zhang Jiahai . . 4 Huang Hongda . . 5 Xu Chao . . 6 Dai Haiming . . 7 Wu Jihui . . 8 Shi Yunyu . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 674 "13C chemical shifts" 440 "15N chemical shifts" 116 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-07-17 update BMRB 'complete entry citation' 2007-01-10 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of BRD7 bromodomain and its interaction with acetylated peptides from histone H3 and H4. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17498659 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sun Hongbin . . 2 Liu Jiangxin . . 3 Zhang Jiahai . . 4 Shen Weiqun . . 5 Huang Hongda . . 6 Xu Chao . . 7 Dai Haiming . . 8 Wu Jihui . . 9 Shi Yunyu . . stop_ _Journal_abbreviation 'Biochem. Biophys. Res. Commun.' _Journal_volume 358 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 435 _Page_last 441 _Year 2007 _Details . loop_ _Keyword 'NMR Structure' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'BRD7 Bromodomain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label bromodomain $bromodomain stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_bromodomain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common bromodomain _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'transcription regulator' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 117 _Mol_residue_sequence ; MEEVEQTPLQEALNQLMRQL QRKDPSAFFSFPVTDFIAPG YSMIIKHPMDFSTMKEKIKN NDYQSIEELKDNFKLMCTNA MIYNKPETIYYKAAKKLLHS GMKILSQERLEHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 0 MET 2 1 GLU 3 2 GLU 4 3 VAL 5 4 GLU 6 5 GLN 7 6 THR 8 7 PRO 9 8 LEU 10 9 GLN 11 10 GLU 12 11 ALA 13 12 LEU 14 13 ASN 15 14 GLN 16 15 LEU 17 16 MET 18 17 ARG 19 18 GLN 20 19 LEU 21 20 GLN 22 21 ARG 23 22 LYS 24 23 ASP 25 24 PRO 26 25 SER 27 26 ALA 28 27 PHE 29 28 PHE 30 29 SER 31 30 PHE 32 31 PRO 33 32 VAL 34 33 THR 35 34 ASP 36 35 PHE 37 36 ILE 38 37 ALA 39 38 PRO 40 39 GLY 41 40 TYR 42 41 SER 43 42 MET 44 43 ILE 45 44 ILE 46 45 LYS 47 46 HIS 48 47 PRO 49 48 MET 50 49 ASP 51 50 PHE 52 51 SER 53 52 THR 54 53 MET 55 54 LYS 56 55 GLU 57 56 LYS 58 57 ILE 59 58 LYS 60 59 ASN 61 60 ASN 62 61 ASP 63 62 TYR 64 63 GLN 65 64 SER 66 65 ILE 67 66 GLU 68 67 GLU 69 68 LEU 70 69 LYS 71 70 ASP 72 71 ASN 73 72 PHE 74 73 LYS 75 74 LEU 76 75 MET 77 76 CYS 78 77 THR 79 78 ASN 80 79 ALA 81 80 MET 82 81 ILE 83 82 TYR 84 83 ASN 85 84 LYS 86 85 PRO 87 86 GLU 88 87 THR 89 88 ILE 90 89 TYR 91 90 TYR 92 91 LYS 93 92 ALA 94 93 ALA 95 94 LYS 96 95 LYS 97 96 LEU 98 97 LEU 99 98 HIS 100 99 SER 101 100 GLY 102 101 MET 103 102 LYS 104 103 ILE 105 104 LEU 106 105 SER 107 106 GLN 108 107 GLU 109 108 ARG 110 109 LEU 111 110 GLU 112 111 HIS 113 112 HIS 114 113 HIS 115 114 HIS 116 115 HIS 117 116 HIS 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 PDB 2I7K "Solution Structure Of The Bromodomain Of Human Brd7 Protein" 100.00 117 100.00 100.00 1.84e-80 DBJ BAE23823 "unnamed protein product [Mus musculus]" 81.20 150 97.89 100.00 1.49e-62 DBJ BAI45636 "bromodomain containing 7 [synthetic construct]" 94.02 652 98.18 100.00 1.58e-68 EMBL CAB72445 "bromodomain containing protein [Homo sapiens]" 94.02 651 98.18 100.00 1.48e-68 EMBL CAH92000 "hypothetical protein [Pongo abelii]" 94.02 651 98.18 100.00 1.30e-68 GB AAC33302 "bromodomain-containing protein BP75 [Mus musculus]" 94.02 651 98.18 100.00 5.53e-69 GB AAF19526 "bromodomain protein CELTIX1 [Homo sapiens]" 94.02 652 98.18 100.00 1.37e-68 GB AAF75126 "bromodomain-containing protein [Homo sapiens]" 94.02 651 98.18 100.00 1.48e-68 GB AAH50728 "Bromodomain containing 7 [Homo sapiens]" 94.02 651 98.18 100.00 1.48e-68 GB AAH94706 "Bromodomain containing 7 [Homo sapiens]" 94.02 651 97.27 100.00 6.24e-68 REF NP_001096730 "bromodomain-containing protein 7 [Bos taurus]" 94.02 651 98.18 100.00 1.15e-68 REF NP_001167455 "bromodomain-containing protein 7 isoform 1 [Homo sapiens]" 94.02 652 98.18 100.00 1.58e-68 REF NP_036177 "bromodomain-containing protein 7 [Mus musculus]" 94.02 651 98.18 100.00 5.53e-69 REF NP_037395 "bromodomain-containing protein 7 isoform 2 [Homo sapiens]" 94.02 651 98.18 100.00 1.48e-68 REF XP_001083389 "PREDICTED: bromodomain-containing protein 7 isoform 1 [Macaca mulatta]" 94.02 652 98.18 100.00 1.55e-68 SP O88665 "RecName: Full=Bromodomain-containing protein 7; AltName: Full=75 kDa bromodomain protein [Mus musculus]" 94.02 651 98.18 100.00 5.53e-69 SP Q5R8B0 "RecName: Full=Bromodomain-containing protein 7 [Pongo abelii]" 94.02 651 98.18 100.00 1.30e-68 SP Q9NPI1 "RecName: Full=Bromodomain-containing protein 7; AltName: Full=75 kDa bromodomain protein; AltName: Full=Protein CELTIX-1 [Homo " 94.02 651 98.18 100.00 1.48e-68 TPG DAA20095 "TPA: bromodomain containing 7 [Bos taurus]" 94.02 651 98.18 100.00 1.15e-68 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $bromodomain Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $bromodomain '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 $bromodomain 0.6 mM 0.2 0.6 '[U-13C; U-15N]' 'phosphate buffer' 50 mM . . . NaCl 50 mM . . . DTT 1 mM . . . EDTA 5 mM . . . H2O 90 % . . . D2O 10 % . . . stop_ save_ ############################ # Computer software used # ############################ save_XWIN-NMR _Saveframe_category software _Name XWIN-NMR _Version 3.5 _Details 'The software was used to collect data.' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600M _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H15N HSQC' _Sample_label $sample_1 save_ save_15N_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '15N TOCSY' _Sample_label $sample_1 save_ save_CBCACONH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label $sample_1 save_ save_CBCANH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _Sample_label $sample_1 save_ save_C(CO)NH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH-TOCSY _Sample_label $sample_1 save_ save_H(CCO)NH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCO)NH-TOCSY _Sample_label $sample_1 save_ save_HBHA(CBCACO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CBCACO)NH _Sample_label $sample_1 save_ save_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_HN(CA)CO_9 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label $sample_1 save_ save_3D15N-separted_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D15N-separted NOESY' _Sample_label $sample_1 save_ save_3D3C-separted_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D3C-separted NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_1H15N_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '1H15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_15N_TOCSY _Saveframe_category NMR_applied_experiment _Experiment_name '15N TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_CBCACONH _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_CBCANH _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _BMRB_pulse_sequence_accession_number . _Details . save_ save_C(CO)NH-TOCSY _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_H(CCO)NH-TOCSY _Saveframe_category NMR_applied_experiment _Experiment_name H(CCO)NH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_HBHA(CBCACO)NH _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CBCACO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCO _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_HN(CA)CO _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D15N-separted_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D15N-separted NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D3C-separted_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D3C-separted NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_HCCH-TOCSY _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_HCCH-COSY _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details ; BRD7 bromodomain U_15N 0.6mM. 50mM phosphate buffer (pH 6.1), 50mM NaCl, 1mM DTT, and 5mM EDTA in 90% H2O / 10% D2O. ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.1 . pH temperature 293 0.2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label H2O C 13 protons ppm . . . . . . 0.251449530 $entry_citation $entry_citation H2O H 1 protons ppm 4.81 internal indirect . . . 1.0 $entry_citation $entry_citation H2O N 15 protons ppm . . . . . . 0.101329118 $entry_citation $entry_citation 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '1H15N HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name bromodomain _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 0 1 MET HA H 4.085 0.01 1 2 0 1 MET HB2 H 2.124 0.01 1 3 0 1 MET HB3 H 2.124 0.01 1 4 0 1 MET C C 172.502 0.1 1 5 0 1 MET CA C 55.232 0.1 1 6 0 1 MET CB C 32.882 0.1 1 7 1 2 GLU H H 8.81 0.01 1 8 1 2 GLU HA H 4.57 0.01 1 9 1 2 GLU HB2 H 3.094 0.01 1 10 1 2 GLU HB3 H 3.094 0.01 1 11 1 2 GLU C C 173.85 0.1 1 12 1 2 GLU CA C 55.882 0.1 1 13 1 2 GLU CB C 30.024 0.1 1 14 1 2 GLU N N 123.664 0.1 1 15 2 3 GLU H H 8.264 0.01 1 16 2 3 GLU HA H 4.266 0.01 1 17 2 3 GLU HB2 H 1.976 0.01 1 18 2 3 GLU HB3 H 1.897 0.01 1 19 2 3 GLU CA C 56.766 0.1 1 20 2 3 GLU CB C 30.284 0.1 1 21 2 3 GLU N N 125.406 0.1 1 22 3 4 VAL H H 8.256 0.01 1 23 3 4 VAL HA H 4.104 0.01 1 24 3 4 VAL HB H 2.031 0.01 1 25 3 4 VAL HG1 H 0.913 0.01 1 26 3 4 VAL HG2 H 0.908 0.01 1 27 3 4 VAL C C 177.112 0.1 1 28 3 4 VAL CA C 61.973 0.1 1 29 3 4 VAL CB C 32.932 0.1 1 30 3 4 VAL CG1 C 21.018 0.1 1 31 3 4 VAL CG2 C 20.672 0.1 1 32 3 4 VAL N N 121.281 0.1 1 33 4 5 GLU H H 8.545 0.01 1 34 4 5 GLU HA H 4.25 0.01 1 35 4 5 GLU HB2 H 1.956 0.01 1 36 4 5 GLU HB3 H 1.956 0.01 1 37 4 5 GLU C C 176.303 0.1 1 38 4 5 GLU CA C 56.495 0.1 1 39 4 5 GLU CB C 30.309 0.1 1 40 4 5 GLU N N 125.373 0.1 1 41 5 6 GLN H H 8.513 0.01 1 42 5 6 GLN HA H 4.535 0.01 1 43 5 6 GLN HB2 H 2.025 0.01 1 44 5 6 GLN HB3 H 1.919 0.01 1 45 5 6 GLN HG2 H 2.236 0.01 1 46 5 6 GLN HG3 H 2.315 0.01 1 47 5 6 GLN HE21 H 7.504 0.01 1 48 5 6 GLN HE22 H 6.758 0.01 1 49 5 6 GLN C C 176.335 0.1 1 50 5 6 GLN CA C 55.477 0.1 1 51 5 6 GLN CB C 30.673 0.1 1 52 5 6 GLN CG C 34.247 0.1 1 53 5 6 GLN N N 122.403 0.1 1 54 5 6 GLN NE2 N 110.916 0.1 1 55 6 7 THR H H 8.887 0.01 1 56 6 7 THR HA H 4.63 0.01 1 57 6 7 THR HB H 4.655 0.01 1 58 6 7 THR HG2 H 1.361 0.01 1 59 6 7 THR CA C 60.394 0.1 1 60 6 7 THR CB C 68.703 0.1 1 61 6 7 THR CG2 C 21.6 0.1 1 62 6 7 THR N N 115.824 0.1 1 63 7 8 PRO HA H 4.327 0.01 1 64 7 8 PRO HB2 H 2.368 0.01 1 65 7 8 PRO HB3 H 1.898 0.01 1 66 7 8 PRO HD2 H 3.899 0.01 1 67 7 8 PRO HD3 H 3.812 0.01 1 68 7 8 PRO C C 179.436 0.1 1 69 7 8 PRO CA C 65.39 0.1 1 70 7 8 PRO CB C 31.694 0.1 1 71 8 9 LEU H H 8.093 0.01 1 72 8 9 LEU HA H 4.176 0.01 1 73 8 9 LEU HB2 H 1.74 0.01 1 74 8 9 LEU HB3 H 1.52 0.01 1 75 8 9 LEU HG H 1.413 0.01 1 76 8 9 LEU HD1 H 0.77 0.01 1 77 8 9 LEU HD2 H 0.736 0.01 1 78 8 9 LEU C C 178.092 0.1 1 79 8 9 LEU CA C 58.075 0.1 1 80 8 9 LEU CB C 40.971 0.1 1 81 8 9 LEU CD1 C 22.96 0.1 1 82 8 9 LEU CD2 C 25.841 0.1 1 83 8 9 LEU N N 119.76 0.1 1 84 9 10 GLN H H 7.985 0.01 1 85 9 10 GLN HA H 3.749 0.01 1 86 9 10 GLN HB2 H 2.343 0.01 1 87 9 10 GLN HB3 H 2.343 0.01 1 88 9 10 GLN HG2 H 2.481 0.01 1 89 9 10 GLN HG3 H 2.481 0.01 1 90 9 10 GLN HE21 H 6.805 0.01 1 91 9 10 GLN HE22 H 7.771 0.01 1 92 9 10 GLN C C 178.274 0.1 1 93 9 10 GLN CA C 60.385 0.1 1 94 9 10 GLN CB C 29.556 0.1 1 95 9 10 GLN CG C 35.622 0.1 1 96 9 10 GLN N N 118.177 0.1 1 97 9 10 GLN NE2 N 112.34 0.1 1 98 10 11 GLU H H 8.204 0.01 1 99 10 11 GLU HA H 4.079 0.01 1 100 10 11 GLU HB2 H 2.02 0.01 1 101 10 11 GLU HB3 H 2.02 0.01 1 102 10 11 GLU HG2 H 2.296 0.01 1 103 10 11 GLU HG3 H 2.142 0.01 1 104 10 11 GLU C C 179.176 0.1 1 105 10 11 GLU CA C 59.691 0.1 1 106 10 11 GLU CB C 29.442 0.1 1 107 10 11 GLU CG C 35.887 0.1 1 108 10 11 GLU N N 117.798 0.1 1 109 11 12 ALA H H 7.98 0.01 1 110 11 12 ALA HA H 4.092 0.01 1 111 11 12 ALA HB H 1.459 0.01 1 112 11 12 ALA C C 181.036 0.1 1 113 11 12 ALA CA C 55.258 0.1 1 114 11 12 ALA CB C 18.27 0.1 1 115 11 12 ALA N N 122.804 0.1 1 116 12 13 LEU H H 8.848 0.01 1 117 12 13 LEU HA H 3.859 0.01 1 118 12 13 LEU HB2 H 1.982 0.01 1 119 12 13 LEU HB3 H 1.166 0.01 1 120 12 13 LEU HG H 1.96 0.01 1 121 12 13 LEU HD1 H 0.809 0.01 1 122 12 13 LEU HD2 H 0.575 0.01 1 123 12 13 LEU C C 178.888 0.1 1 124 12 13 LEU CA C 58.18 0.1 1 125 12 13 LEU CB C 41.294 0.1 1 126 12 13 LEU CD1 C 27.835 0.1 1 127 12 13 LEU CD2 C 23.622 0.1 1 128 12 13 LEU N N 118.108 0.1 1 129 13 14 ASN H H 8.643 0.01 1 130 13 14 ASN HA H 4.396 0.01 1 131 13 14 ASN HB2 H 2.931 0.01 1 132 13 14 ASN HB3 H 2.931 0.01 1 133 13 14 ASN HD21 H 7.373 0.01 1 134 13 14 ASN HD22 H 6.96 0.01 1 135 13 14 ASN C C 178.403 0.1 1 136 13 14 ASN CA C 56.433 0.1 1 137 13 14 ASN CB C 38.348 0.1 1 138 13 14 ASN N N 117.94 0.1 1 139 13 14 ASN ND2 N 113.117 0.1 1 140 14 15 GLN H H 8.022 0.01 1 141 14 15 GLN HA H 4.019 0.01 1 142 14 15 GLN HB2 H 2.148 0.01 1 143 14 15 GLN HB3 H 2.148 0.01 1 144 14 15 GLN HG2 H 2.479 0.01 1 145 14 15 GLN HG3 H 2.419 0.01 1 146 14 15 GLN HE21 H 6.84 0.01 1 147 14 15 GLN HE22 H 7.567 0.01 1 148 14 15 GLN C C 179.121 0.1 1 149 14 15 GLN CA C 59.309 0.1 1 150 14 15 GLN CB C 27.814 0.1 1 151 14 15 GLN CG C 33.351 0.1 1 152 14 15 GLN N N 120.19 0.1 1 153 14 15 GLN NE2 N 111.562 0.1 1 154 15 16 LEU H H 7.928 0.01 1 155 15 16 LEU HA H 3.944 0.01 1 156 15 16 LEU HB2 H 1.036 0.01 1 157 15 16 LEU HB3 H 1.839 0.01 1 158 15 16 LEU HG H 2.242 0.01 1 159 15 16 LEU HD1 H 0.721 0.01 1 160 15 16 LEU HD2 H 0.551 0.01 1 161 15 16 LEU C C 178.932 0.1 1 162 15 16 LEU CA C 57.943 0.1 1 163 15 16 LEU CB C 41.765 0.1 1 164 15 16 LEU CG C 26.689 0.1 1 165 15 16 LEU CD1 C 25.505 0.1 1 166 15 16 LEU CD2 C 23.351 0.1 1 167 15 16 LEU N N 120.574 0.1 1 168 16 17 MET H H 8.603 0.01 1 169 16 17 MET HA H 4.141 0.01 1 170 16 17 MET HB2 H 2.139 0.01 1 171 16 17 MET HB3 H 2.139 0.01 1 172 16 17 MET HG2 H 2.472 0.01 1 173 16 17 MET HG3 H 2.549 0.01 1 174 16 17 MET HE H 2.122 0.01 1 175 16 17 MET C C 178.032 0.1 1 176 16 17 MET CA C 57.735 0.1 1 177 16 17 MET CB C 30.412 0.1 1 178 16 17 MET CG C 32.344 0.1 1 179 16 17 MET N N 118.141 0.1 1 180 17 18 ARG H H 7.803 0.1 1 181 17 18 ARG HA H 3.976 0.01 1 182 17 18 ARG HB2 H 1.897 0.01 1 183 17 18 ARG HB3 H 1.811 0.01 1 184 17 18 ARG HG2 H 1.504 0.01 1 185 17 18 ARG HG3 H 1.504 0.01 1 186 17 18 ARG HD2 H 3.138 0.01 1 187 17 18 ARG HD3 H 3.138 0.01 1 188 17 18 ARG C C 179.514 0.1 1 189 17 18 ARG CA C 59.626 0.1 1 190 17 18 ARG CB C 30.023 0.1 1 191 17 18 ARG CG C 27.674 0.1 1 192 17 18 ARG CD C 43.599 0.1 1 193 17 18 ARG N N 118.291 0.1 1 194 18 19 GLN H H 7.361 0.01 1 195 18 19 GLN HA H 3.92 0.01 1 196 18 19 GLN HB2 H 2.001 0.01 1 197 18 19 GLN HB3 H 2.227 0.01 1 198 18 19 GLN HG2 H 2.539 0.01 1 199 18 19 GLN HG3 H 2.275 0.01 1 200 18 19 GLN HE21 H 7.186 0.01 1 201 18 19 GLN HE22 H 6.888 0.01 1 202 18 19 GLN C C 178.91 0.1 1 203 18 19 GLN CA C 59.177 0.1 1 204 18 19 GLN CB C 29.782 0.1 1 205 18 19 GLN CG C 34.408 0.1 1 206 18 19 GLN N N 116.717 0.1 1 207 18 19 GLN NE2 N 110.816 0.1 1 208 19 20 LEU H H 8.463 0.01 1 209 19 20 LEU HA H 3.743 0.01 1 210 19 20 LEU HB2 H 1.715 0.01 1 211 19 20 LEU HB3 H 1.715 0.01 1 212 19 20 LEU HG H 1.21 0.01 1 213 19 20 LEU HD1 H 0.433 0.01 1 214 19 20 LEU HD2 H 0.128 0.01 1 215 19 20 LEU C C 178.981 0.1 1 216 19 20 LEU CA C 57.925 0.1 1 217 19 20 LEU CB C 42.512 0.1 1 218 19 20 LEU CG C 21.897 0.1 1 219 19 20 LEU CD1 C 24.397 0.1 1 220 19 20 LEU CD2 C 22.789 0.1 1 221 19 20 LEU N N 118.802 0.1 1 222 20 21 GLN H H 8.227 0.01 1 223 20 21 GLN HA H 3.477 0.01 1 224 20 21 GLN HB2 H 1.747 0.01 1 225 20 21 GLN HB3 H 1.492 0.01 1 226 20 21 GLN HG2 H 1.025 0.01 1 227 20 21 GLN HG3 H 1.744 0.01 1 228 20 21 GLN HE21 H 6.814 0.01 1 229 20 21 GLN HE22 H 7.047 0.01 1 230 20 21 GLN C C 179.302 0.1 1 231 20 21 GLN CA C 59.756 0.1 1 232 20 21 GLN CB C 28.646 0.1 1 233 20 21 GLN CG C 34.964 0.1 1 234 20 21 GLN N N 115.424 0.1 1 235 20 21 GLN NE2 N 110.192 0.1 1 236 21 22 ARG H H 7.173 0.01 1 237 21 22 ARG HA H 4.007 0.01 1 238 21 22 ARG HB2 H 1.859 0.01 1 239 21 22 ARG HB3 H 1.92 0.01 1 240 21 22 ARG HG2 H 1.662 0.01 1 241 21 22 ARG HG3 H 1.662 0.01 1 242 21 22 ARG HD2 H 3.148 0.01 1 243 21 22 ARG HD3 H 3.148 0.01 1 244 21 22 ARG C C 177.659 0.1 1 245 21 22 ARG CA C 58.242 0.1 1 246 21 22 ARG CB C 29.957 0.1 1 247 21 22 ARG CG C 27.34 0.1 1 248 21 22 ARG CD C 43.499 0.1 1 249 21 22 ARG N N 118.194 0.1 1 250 22 23 LYS H H 7.316 0.01 1 251 22 23 LYS HA H 4.417 0.01 1 252 22 23 LYS HB2 H 2.202 0.01 1 253 22 23 LYS HB3 H 2.202 0.01 1 254 22 23 LYS HG2 H 1.245 0.01 1 255 22 23 LYS HG3 H 1.245 0.01 1 256 22 23 LYS HD2 H 1.568 0.01 1 257 22 23 LYS HD3 H 1.568 0.01 1 258 22 23 LYS HE2 H 2.934 0.01 1 259 22 23 LYS HE3 H 2.934 0.01 1 260 22 23 LYS C C 174.126 0.1 1 261 22 23 LYS CA C 54.038 0.1 1 262 22 23 LYS CB C 30.786 0.1 1 263 22 23 LYS CG C 22.33 0.1 1 264 22 23 LYS CD C 26.821 0.1 1 265 22 23 LYS CE C 38.951 0.1 1 266 22 23 LYS N N 114.81 0.1 1 267 23 24 ASP H H 7.53 0.01 1 268 23 24 ASP HA H 5.432 0.01 1 269 23 24 ASP HB2 H 3.103 0.01 1 270 23 24 ASP HB3 H 3.103 0.01 1 271 23 24 ASP CA C 51.514 0.1 1 272 23 24 ASP CB C 43.22 0.1 1 273 23 24 ASP N N 118.297 0.1 1 274 24 25 PRO HA H 4.34 0.01 1 275 24 25 PRO HB2 H 2.273 0.01 1 276 24 25 PRO HB3 H 2.021 0.01 1 277 24 25 PRO HG2 H 2.152 0.01 1 278 24 25 PRO HG3 H 2.007 0.01 1 279 24 25 PRO HD2 H 3.885 0.01 1 280 24 25 PRO HD3 H 3.313 0.01 1 281 24 25 PRO C C 178.641 0.1 1 282 24 25 PRO CA C 65.257 0.1 1 283 24 25 PRO CB C 31.597 0.1 1 284 24 25 PRO CG C 27.586 0.1 1 285 24 25 PRO CD C 51.679 0.1 1 286 25 26 SER H H 8.271 0.01 1 287 25 26 SER HA H 4.139 0.01 1 288 25 26 SER HB2 H 3.062 0.01 1 289 25 26 SER HB3 H 2.64 0.01 1 290 25 26 SER HG H 4.399 0.01 1 291 25 26 SER C C 172.228 0.1 1 292 25 26 SER CA C 58.802 0.1 1 293 25 26 SER CB C 62.072 0.1 1 294 25 26 SER N N 114.345 0.1 1 295 26 27 ALA H H 8.011 0.01 1 296 26 27 ALA HA H 4.091 0.01 1 297 26 27 ALA HB H 1.383 0.01 1 298 26 27 ALA C C 178.326 0.1 1 299 26 27 ALA CA C 52.928 0.1 1 300 26 27 ALA CB C 16.196 0.1 1 301 26 27 ALA N N 122.2 0.1 1 302 27 28 PHE H H 9.282 0.01 1 303 27 28 PHE HA H 4.491 0.01 1 304 27 28 PHE HB2 H 2.312 0.01 1 305 27 28 PHE HB3 H 2.312 0.01 1 306 27 28 PHE HD1 H 7.015 0.01 1 307 27 28 PHE HD2 H 7.159 0.01 1 308 27 28 PHE HE1 H 6.608 0.01 1 309 27 28 PHE HE2 H 6.608 0.01 1 310 27 28 PHE C C 179.451 0.1 1 311 27 28 PHE CA C 57.945 0.1 1 312 27 28 PHE CB C 38.079 0.1 1 313 27 28 PHE N N 120.535 0.1 1 314 28 29 PHE H H 10.107 0.01 1 315 28 29 PHE HA H 5.192 0.01 1 316 28 29 PHE HB2 H 2.64 0.01 1 317 28 29 PHE HB3 H 3.888 0.01 1 318 28 29 PHE HD1 H 7.293 0.01 1 319 28 29 PHE HD2 H 7.293 0.01 1 320 28 29 PHE C C 175.541 0.1 1 321 28 29 PHE CA C 57.749 0.1 1 322 28 29 PHE CB C 38.271 0.1 1 323 28 29 PHE N N 119.937 0.1 1 324 29 30 SER H H 7.033 0.01 1 325 29 30 SER HA H 4.196 0.01 1 326 29 30 SER HB2 H 3.207 0.01 1 327 29 30 SER HB3 H 3.526 0.01 1 328 29 30 SER C C 172.713 0.1 1 329 29 30 SER CA C 62.241 0.1 1 330 29 30 SER CB C 64.281 0.1 1 331 29 30 SER N N 113.775 0.1 1 332 30 31 PHE H H 8.054 0.01 1 333 30 31 PHE HA H 5.288 0.01 1 334 30 31 PHE HB2 H 3.257 0.01 1 335 30 31 PHE HB3 H 2.591 0.01 1 336 30 31 PHE HD1 H 7.301 0.01 1 337 30 31 PHE HD2 H 7.301 0.01 1 338 30 31 PHE C C 172.417 0.1 1 339 30 31 PHE CA C 55.282 0.1 1 340 30 31 PHE CB C 39.989 0.1 1 341 30 31 PHE N N 117.486 0.1 1 342 31 32 PRO HA H 4.158 0.01 1 343 31 32 PRO HB2 H 2.079 0.01 1 344 31 32 PRO HB3 H 1.619 0.01 1 345 31 32 PRO HG2 H 2.545 0.01 1 346 31 32 PRO HG3 H 2.214 0.01 1 347 31 32 PRO HD2 H 3.692 0.01 1 348 31 32 PRO HD3 H 3.92 0.01 1 349 31 32 PRO C C 175.989 0.1 1 350 31 32 PRO CA C 61.978 0.1 1 351 31 32 PRO CB C 32.788 0.1 1 352 31 32 PRO CD C 50.809 0.1 1 353 32 33 VAL H H 8.556 0.01 1 354 32 33 VAL HA H 3.634 0.01 1 355 32 33 VAL HB H 1.105 0.01 1 356 32 33 VAL HG1 H 0.662 0.01 1 357 32 33 VAL HG2 H -0.099 0.01 1 358 32 33 VAL C C 175.604 0.1 1 359 32 33 VAL CA C 63.534 0.1 1 360 32 33 VAL CB C 32.018 0.1 1 361 32 33 VAL CG1 C 21.472 0.1 1 362 32 33 VAL CG2 C 22.285 0.1 1 363 32 33 VAL N N 125.133 0.1 1 364 33 34 THR H H 6.567 0.01 1 365 33 34 THR HA H 4.62 0.01 1 366 33 34 THR HB H 4.536 0.01 1 367 33 34 THR HG2 H 1.16 0.01 1 368 33 34 THR C C 174.361 0.1 1 369 33 34 THR CA C 59.138 0.1 1 370 33 34 THR CB C 71.964 0.1 1 371 33 34 THR CG2 C 21.064 0.1 1 372 33 34 THR N N 114.332 0.1 1 373 34 35 ASP H H 8.727 0.01 1 374 34 35 ASP HA H 4.77 0.01 1 375 34 35 ASP HB2 H 2.407 0.01 1 376 34 35 ASP HB3 H 2.713 0.01 1 377 34 35 ASP C C 177.206 0.1 1 378 34 35 ASP CA C 55.72 0.1 1 379 34 35 ASP CB C 39.698 0.1 1 380 34 35 ASP N N 121.027 0.1 1 381 35 36 PHE H H 7.436 0.01 1 382 35 36 PHE HA H 4.261 0.01 1 383 35 36 PHE HB2 H 2.992 0.01 1 384 35 36 PHE HB3 H 2.992 0.01 1 385 35 36 PHE HD1 H 7.186 0.01 1 386 35 36 PHE HD2 H 7.186 0.01 1 387 35 36 PHE C C 176.938 0.1 1 388 35 36 PHE CA C 59.913 0.1 1 389 35 36 PHE CB C 39.014 0.1 1 390 35 36 PHE N N 116.237 0.1 1 391 36 37 ILE H H 7 0.01 1 392 36 37 ILE HA H 4.064 0.01 1 393 36 37 ILE HB H 1.864 0.01 1 394 36 37 ILE HG12 H 1.248 0.01 1 395 36 37 ILE HG13 H 1.248 0.01 1 396 36 37 ILE HG2 H 0.921 0.01 1 397 36 37 ILE HD1 H 1.477 0.01 1 398 36 37 ILE C C 175.589 0.1 1 399 36 37 ILE CA C 61.556 0.1 1 400 36 37 ILE CB C 39.156 0.1 1 401 36 37 ILE CG1 C 27.122 0.1 1 402 36 37 ILE CG2 C 13.801 0.1 1 403 36 37 ILE CD1 C 17.757 0.1 1 404 36 37 ILE N N 114.932 0.1 1 405 37 38 ALA H H 7.876 0.01 1 406 37 38 ALA HA H 4.794 0.01 1 407 37 38 ALA HB H 0.884 0.01 1 408 37 38 ALA C C 171.674 0.1 1 409 37 38 ALA CA C 49.127 0.1 1 410 37 38 ALA CB C 19.878 0.1 1 411 37 38 ALA N N 126.374 0.1 1 412 38 39 PRO HA H 4.497 0.01 1 413 38 39 PRO HB2 H 1.889 0.01 1 414 38 39 PRO HB3 H 2.275 0.01 1 415 38 39 PRO HG2 H 1.647 0.01 1 416 38 39 PRO HG3 H 1.307 0.01 1 417 38 39 PRO HD2 H 3.636 0.01 1 418 38 39 PRO HD3 H 3.433 0.01 1 419 38 39 PRO C C 179.89 0.1 1 420 38 39 PRO CA C 63.945 0.1 1 421 38 39 PRO CB C 31.333 0.1 1 422 38 39 PRO CG C 26.966 0.1 1 423 38 39 PRO CD C 49.617 0.1 1 424 39 40 GLY H H 9.037 0.01 1 425 39 40 GLY HA2 H 3.832 0.01 1 426 39 40 GLY HA3 H 4.195 0.01 1 427 39 40 GLY C C 175.18 0.1 1 428 39 40 GLY CA C 45.918 0.1 1 429 39 40 GLY N N 114.09 0.1 1 430 40 41 TYR H H 8.353 0.01 1 431 40 41 TYR HA H 3.579 0.01 1 432 40 41 TYR HB2 H 2.788 0.01 1 433 40 41 TYR HB3 H 3.246 0.01 1 434 40 41 TYR HD1 H 6.759 0.01 1 435 40 41 TYR HD2 H 5.829 0.01 1 436 40 41 TYR HE1 H 6.634 0.01 1 437 40 41 TYR HE2 H 6.165 0.01 1 438 40 41 TYR C C 178.046 0.1 1 439 40 41 TYR CA C 63.69 0.1 1 440 40 41 TYR CB C 38.189 0.1 1 441 40 41 TYR N N 125.771 0.1 1 442 41 42 SER H H 9.848 0.01 1 443 41 42 SER HA H 4.206 0.01 1 444 41 42 SER HB2 H 4.027 0.01 1 445 41 42 SER HB3 H 3.896 0.01 1 446 41 42 SER C C 175.734 0.1 1 447 41 42 SER CA C 60.333 0.1 1 448 41 42 SER CB C 62.087 0.1 1 449 41 42 SER N N 112.673 0.1 1 450 42 43 MET H H 7.43 0.01 1 451 42 43 MET HA H 4.278 0.01 1 452 42 43 MET HB2 H 2.095 0.01 1 453 42 43 MET HB3 H 2.095 0.01 1 454 42 43 MET HG2 H 2.576 0.01 1 455 42 43 MET HG3 H 2.503 0.01 1 456 42 43 MET HE H 2.096 0.01 1 457 42 43 MET C C 176.563 0.1 1 458 42 43 MET CA C 56.396 0.1 1 459 42 43 MET CB C 32.318 0.1 1 460 42 43 MET CG C 32.172 0.1 1 461 42 43 MET N N 118.796 0.1 1 462 43 44 ILE H H 7.374 0.01 1 463 43 44 ILE HA H 4.006 0.01 1 464 43 44 ILE HB H 1.69 0.01 1 465 43 44 ILE HG12 H 1.223 0.01 1 466 43 44 ILE HG13 H 1.558 0.01 1 467 43 44 ILE HG2 H 0.873 0.01 1 468 43 44 ILE HD1 H 1.197 0.01 1 469 43 44 ILE C C 175.017 0.1 1 470 43 44 ILE CA C 61.794 0.1 1 471 43 44 ILE CB C 40.342 0.1 1 472 43 44 ILE CG1 C 27.832 0.1 1 473 43 44 ILE CG2 C 12.594 0.1 1 474 43 44 ILE CD1 C 17.383 0.1 1 475 43 44 ILE N N 118.525 0.1 1 476 44 45 ILE H H 8.307 0.01 1 477 44 45 ILE HA H 3.91 0.01 1 478 44 45 ILE HB H 1.117 0.01 1 479 44 45 ILE HG2 H 0.436 0.01 1 480 44 45 ILE HD1 H 0.618 0.01 1 481 44 45 ILE C C 174.036 0.1 1 482 44 45 ILE CA C 56.849 0.1 1 483 44 45 ILE CB C 34.465 0.1 1 484 44 45 ILE CG2 C 16.153 0.1 1 485 44 45 ILE CD1 C 9.235 0.1 1 486 44 45 ILE N N 122.475 0.1 1 487 45 46 LYS H H 7.986 0.01 1 488 45 46 LYS HA H 4.028 0.01 1 489 45 46 LYS HB2 H 1.406 0.01 1 490 45 46 LYS HB3 H 1.406 0.01 1 491 45 46 LYS HG2 H 1.162 0.01 1 492 45 46 LYS HG3 H 1.277 0.01 1 493 45 46 LYS HD2 H 1.473 0.01 1 494 45 46 LYS HD3 H 1.473 0.01 1 495 45 46 LYS HE2 H 2.845 0.01 1 496 45 46 LYS HE3 H 2.845 0.01 1 497 45 46 LYS C C 176.756 0.1 1 498 45 46 LYS CA C 56.203 0.1 1 499 45 46 LYS CB C 32.484 0.1 1 500 45 46 LYS CG C 24.631 0.1 1 501 45 46 LYS CD C 27.869 0.1 1 502 45 46 LYS CE C 42.202 0.1 1 503 45 46 LYS N N 123.976 0.1 1 504 46 47 HIS H H 8.011 0.01 1 505 46 47 HIS HA H 5.103 0.01 1 506 46 47 HIS HB2 H 3.173 0.01 1 507 46 47 HIS HB3 H 3.173 0.01 1 508 46 47 HIS HD2 H 7.113 0.01 1 509 46 47 HIS C C 170.653 0.1 1 510 46 47 HIS CA C 52.002 0.1 1 511 46 47 HIS CB C 29.424 0.1 1 512 46 47 HIS N N 116.054 0.1 1 513 47 48 PRO HA H 4.1 0.01 1 514 47 48 PRO HB2 H 2.115 0.01 1 515 47 48 PRO HB3 H 2.297 0.01 1 516 47 48 PRO HG2 H 1.906 0.01 1 517 47 48 PRO HG3 H 2.035 0.01 1 518 47 48 PRO HD2 H 3.302 0.01 1 519 47 48 PRO HD3 H 3.643 0.01 1 520 47 48 PRO C C 175.144 0.1 1 521 47 48 PRO CA C 62.755 0.1 1 522 47 48 PRO CB C 32.554 0.1 1 523 47 48 PRO CG C 26.989 0.1 1 524 47 48 PRO CD C 50.498 0.1 1 525 48 49 MET H H 8.708 0.01 1 526 48 49 MET HA H 4.957 0.01 1 527 48 49 MET HB2 H 2.086 0.01 1 528 48 49 MET HB3 H 2.086 0.01 1 529 48 49 MET HG2 H 2.954 0.01 1 530 48 49 MET HG3 H 2.954 0.01 1 531 48 49 MET HE H 2.045 0.01 1 532 48 49 MET C C 172.288 0.1 1 533 48 49 MET CA C 53.922 0.1 1 534 48 49 MET CB C 31.388 0.1 1 535 48 49 MET N N 119.21 0.1 1 536 49 50 ASP H H 7.314 0.01 1 537 49 50 ASP HA H 4.856 0.01 1 538 49 50 ASP HB2 H 2.463 0.01 1 539 49 50 ASP HB3 H 2.436 0.01 1 540 49 50 ASP C C 174.918 0.1 1 541 49 50 ASP CA C 53.847 0.1 1 542 49 50 ASP CB C 43.774 0.1 1 543 49 50 ASP N N 119.427 0.1 1 544 50 51 PHE H H 8.927 0.01 1 545 50 51 PHE HA H 4.639 0.01 1 546 50 51 PHE HB2 H 3.076 0.01 1 547 50 51 PHE HB3 H 3.076 0.01 1 548 50 51 PHE HD1 H 7.412 0.01 1 549 50 51 PHE HD2 H 7.412 0.01 1 550 50 51 PHE HE1 H 7.057 0.01 1 551 50 51 PHE HE2 H 7.057 0.01 1 552 50 51 PHE C C 177.889 0.1 1 553 50 51 PHE CA C 62.147 0.1 1 554 50 51 PHE CB C 39.369 0.1 1 555 50 51 PHE N N 118.419 0.1 1 556 51 52 SER H H 8.703 0.01 1 557 51 52 SER HA H 4.011 0.01 1 558 51 52 SER HB2 H 4.229 0.01 1 559 51 52 SER HB3 H 4.229 0.01 1 560 51 52 SER C C 177.053 0.1 1 561 51 52 SER CA C 60.978 0.1 1 562 51 52 SER CB C 61.88 0.1 1 563 51 52 SER N N 119.299 0.1 1 564 52 53 THR H H 8.148 0.01 1 565 52 53 THR HA H 3.965 0.01 1 566 52 53 THR HB H 4.195 0.01 1 567 52 53 THR HG2 H 1.216 0.01 1 568 52 53 THR C C 176.697 0.1 1 569 52 53 THR CA C 66.981 0.1 1 570 52 53 THR CB C 68.511 0.1 1 571 52 53 THR CG2 C 21.2 0.1 1 572 52 53 THR N N 124.268 0.1 1 573 53 54 MET H H 7.695 0.01 1 574 53 54 MET HA H 4.303 0.01 1 575 53 54 MET HB2 H 2.429 0.01 1 576 53 54 MET HB3 H 2.429 0.01 1 577 53 54 MET HG2 H 2.833 0.01 1 578 53 54 MET HG3 H 2.833 0.01 1 579 53 54 MET HE H 2.011 0.01 1 580 53 54 MET C C 178.089 0.1 1 581 53 54 MET CA C 60.276 0.1 1 582 53 54 MET CB C 34.927 0.1 1 583 53 54 MET CG C 33.259 0.1 1 584 53 54 MET N N 121.182 0.1 1 585 54 55 LYS H H 8.595 0.01 1 586 54 55 LYS HA H 3.958 0.01 1 587 54 55 LYS HB2 H 1.997 0.01 1 588 54 55 LYS HB3 H 1.997 0.01 1 589 54 55 LYS HG2 H 1.475 0.01 1 590 54 55 LYS HG3 H 1.475 0.01 1 591 54 55 LYS HD2 H 1.792 0.01 1 592 54 55 LYS HD3 H 1.68 0.01 1 593 54 55 LYS HE2 H 2.872 0.01 1 594 54 55 LYS HE3 H 2.872 0.01 1 595 54 55 LYS C C 179.665 0.1 1 596 54 55 LYS CA C 60.834 0.1 1 597 54 55 LYS CB C 32.186 0.1 1 598 54 55 LYS CG C 26.003 0.1 1 599 54 55 LYS CD C 29.134 0.1 1 600 54 55 LYS CE C 41.79 0.1 1 601 54 55 LYS N N 118.2 0.1 1 602 55 56 GLU H H 8.01 0.01 1 603 55 56 GLU HA H 4.048 0.01 1 604 55 56 GLU HB2 H 2.175 0.01 1 605 55 56 GLU HB3 H 2.175 0.01 1 606 55 56 GLU HG2 H 2.335 0.01 1 607 55 56 GLU HG3 H 2.335 0.01 1 608 55 56 GLU C C 178.207 0.1 1 609 55 56 GLU CA C 59.311 0.1 1 610 55 56 GLU CB C 29.175 0.1 1 611 55 56 GLU CG C 35.518 0.1 1 612 55 56 GLU N N 121.864 0.1 1 613 56 57 LYS H H 8.054 0.01 1 614 56 57 LYS HA H 4.043 0.01 1 615 56 57 LYS HB2 H 0.812 0.01 1 616 56 57 LYS HB3 H 0.812 0.01 1 617 56 57 LYS C C 179.57 0.1 1 618 56 57 LYS CA C 59.982 0.1 1 619 56 57 LYS CB C 32.253 0.1 1 620 56 57 LYS CG C 25.515 0.1 1 621 56 57 LYS CD C 28.833 0.1 1 622 56 57 LYS CE C 41.809 0.1 1 623 56 57 LYS N N 119.672 0.1 1 624 57 58 ILE H H 8.145 0.01 1 625 57 58 ILE HA H 3.967 0.01 1 626 57 58 ILE HB H 1.97 0.01 1 627 57 58 ILE HG2 H 1.003 0.01 1 628 57 58 ILE HD1 H 0.839 0.01 1 629 57 58 ILE C C 180.093 0.1 1 630 57 58 ILE CA C 66.066 0.1 1 631 57 58 ILE CB C 39.052 0.1 1 632 57 58 ILE CG1 C 28.134 0.1 1 633 57 58 ILE CG2 C 18.173 0.1 1 634 57 58 ILE CD1 C 15.21 0.1 1 635 57 58 ILE N N 119.121 0.1 1 636 58 59 LYS H H 7.966 0.01 1 637 58 59 LYS HA H 3.982 0.01 1 638 58 59 LYS HB2 H 1.937 0.01 1 639 58 59 LYS HB3 H 1.937 0.01 1 640 58 59 LYS HG2 H 1.406 0.01 1 641 58 59 LYS HG3 H 1.516 0.01 1 642 58 59 LYS HD2 H 1.654 0.01 1 643 58 59 LYS HD3 H 1.654 0.01 1 644 58 59 LYS HE2 H 2.93 0.01 1 645 58 59 LYS HE3 H 2.93 0.01 1 646 58 59 LYS C C 177.519 0.1 1 647 58 59 LYS CA C 59.248 0.1 1 648 58 59 LYS CB C 32.165 0.1 1 649 58 59 LYS CG C 24.248 0.1 1 650 58 59 LYS CD C 29.06 0.1 1 651 58 59 LYS CE C 41.983 0.1 1 652 58 59 LYS N N 122.588 0.1 1 653 59 60 ASN H H 8.079 0.01 1 654 59 60 ASN HA H 4.619 0.01 1 655 59 60 ASN HB2 H 2.911 0.01 1 656 59 60 ASN HB3 H 2.609 0.01 1 657 59 60 ASN HD21 H 6.911 0.01 1 658 59 60 ASN HD22 H 7.898 0.01 1 659 59 60 ASN C C 174.362 0.1 1 660 59 60 ASN CA C 53.023 0.1 1 661 59 60 ASN CB C 38.497 0.1 1 662 59 60 ASN N N 114.99 0.1 1 663 59 60 ASN ND2 N 113.992 0.1 1 664 60 61 ASN H H 8.065 0.01 1 665 60 61 ASN HA H 4.645 0.01 1 666 60 61 ASN HB2 H 3.256 0.01 1 667 60 61 ASN HB3 H 2.644 0.01 1 668 60 61 ASN HD21 H 7.529 0.01 1 669 60 61 ASN HD22 H 6.565 0.01 1 670 60 61 ASN C C 175.153 0.1 1 671 60 61 ASN CA C 53.934 0.1 1 672 60 61 ASN CB C 37.099 0.1 1 673 60 61 ASN N N 116.251 0.1 1 674 60 61 ASN ND2 N 110.648 0.1 1 675 61 62 ASP H H 8.492 0.01 1 676 61 62 ASP HA H 4.514 0.01 1 677 61 62 ASP HB2 H 2.057 0.01 1 678 61 62 ASP HB3 H 2.403 0.01 1 679 61 62 ASP C C 177.435 0.1 1 680 61 62 ASP CA C 55.796 0.1 1 681 61 62 ASP CB C 42.103 0.1 1 682 61 62 ASP N N 115.539 0.1 1 683 62 63 TYR H H 7.65 0.01 1 684 62 63 TYR HA H 4.894 0.01 1 685 62 63 TYR HB2 H 2.824 0.01 1 686 62 63 TYR HB3 H 2.824 0.01 1 687 62 63 TYR HD1 H 7.008 0.01 1 688 62 63 TYR HD2 H 7.015 0.01 1 689 62 63 TYR HE1 H 6.828 0.01 1 690 62 63 TYR HE2 H 6.807 0.01 1 691 62 63 TYR C C 176.679 0.1 1 692 62 63 TYR CA C 57.358 0.1 1 693 62 63 TYR CB C 39.5 0.1 1 694 62 63 TYR N N 116.561 0.1 1 695 63 64 GLN H H 9.585 0.01 1 696 63 64 GLN HA H 4.288 0.01 1 697 63 64 GLN HB2 H 2.014 0.01 1 698 63 64 GLN HB3 H 2.261 0.01 1 699 63 64 GLN HG2 H 2.368 0.01 1 700 63 64 GLN HG3 H 2.454 0.01 1 701 63 64 GLN HE21 H 7.51 0.01 1 702 63 64 GLN HE22 H 6.76 0.01 1 703 63 64 GLN C C 175.66 0.1 1 704 63 64 GLN CA C 55.377 0.1 1 705 63 64 GLN CB C 29.835 0.1 1 706 63 64 GLN CG C 34.165 0.1 1 707 63 64 GLN N N 119.369 0.1 1 708 63 64 GLN NE2 N 113.204 0.1 1 709 64 65 SER H H 7.535 0.01 1 710 64 65 SER HA H 4.595 0.01 1 711 64 65 SER HB2 H 4.185 0.01 1 712 64 65 SER HB3 H 3.929 0.01 1 713 64 65 SER C C 173.794 0.1 1 714 64 65 SER CA C 56.593 0.1 1 715 64 65 SER CB C 65.727 0.1 1 716 64 65 SER N N 109.85 0.1 1 717 65 66 ILE H H 8.938 0.01 1 718 65 66 ILE HA H 3.563 0.01 1 719 65 66 ILE HB H 1.726 0.01 1 720 65 66 ILE HG12 H 1.493 0.01 1 721 65 66 ILE HG13 H 1.493 0.01 1 722 65 66 ILE HG2 H 0.763 0.01 1 723 65 66 ILE HD1 H 0.928 0.01 1 724 65 66 ILE C C 177.29 0.1 1 725 65 66 ILE CA C 64.11 0.1 1 726 65 66 ILE CB C 37.675 0.1 1 727 65 66 ILE CG1 C 28.834 0.1 1 728 65 66 ILE CG2 C 13.234 0.1 1 729 65 66 ILE CD1 C 17.386 0.1 1 730 65 66 ILE N N 120.878 0.1 1 731 66 67 GLU H H 8.271 0.01 1 732 66 67 GLU HA H 3.772 0.01 1 733 66 67 GLU HB2 H 1.995 0.01 1 734 66 67 GLU HB3 H 1.995 0.01 1 735 66 67 GLU HG2 H 2.314 0.01 1 736 66 67 GLU HG3 H 2.255 0.01 1 737 66 67 GLU C C 177.92 0.1 1 738 66 67 GLU CA C 59.907 0.1 1 739 66 67 GLU CB C 28.738 0.1 1 740 66 67 GLU CG C 36.243 0.1 1 741 66 67 GLU N N 120.641 0.1 1 742 67 68 GLU H H 7.444 0.01 1 743 67 68 GLU HA H 4.121 0.01 1 744 67 68 GLU HB2 H 2.284 0.01 1 745 67 68 GLU HB3 H 2.284 0.01 1 746 67 68 GLU HG2 H 2.449 0.01 1 747 67 68 GLU HG3 H 2.357 0.01 1 748 67 68 GLU C C 179.236 0.1 1 749 67 68 GLU CA C 59.323 0.1 1 750 67 68 GLU CB C 30.991 0.1 1 751 67 68 GLU CG C 36.886 0.1 1 752 67 68 GLU N N 117.614 0.1 1 753 68 69 LEU H H 6.615 0.01 1 754 68 69 LEU HA H 3.599 0.01 1 755 68 69 LEU HB2 H 1.625 0.01 1 756 68 69 LEU HB3 H 1.625 0.01 1 757 68 69 LEU HG H 1.382 0.01 1 758 68 69 LEU HD1 H 0.775 0.01 1 759 68 69 LEU HD2 H 0.594 0.01 1 760 68 69 LEU C C 178.424 0.1 1 761 68 69 LEU CA C 58.888 0.1 1 762 68 69 LEU CB C 40.723 0.1 1 763 68 69 LEU CG C 27.222 0.1 1 764 68 69 LEU CD1 C 16.958 0.1 1 765 68 69 LEU N N 121.799 0.1 1 766 69 70 LYS H H 8.427 0.01 1 767 69 70 LYS HA H 4.336 0.01 1 768 69 70 LYS HB2 H 2.093 0.01 1 769 69 70 LYS HB3 H 1.726 0.01 1 770 69 70 LYS HG2 H 1.416 0.01 1 771 69 70 LYS HG3 H 1.372 0.01 1 772 69 70 LYS HD2 H 1.989 0.01 1 773 69 70 LYS HD3 H 1.989 0.01 1 774 69 70 LYS HE2 H 2.806 0.01 1 775 69 70 LYS HE3 H 2.827 0.01 1 776 69 70 LYS C C 177.804 0.1 1 777 69 70 LYS CA C 60.237 0.1 1 778 69 70 LYS CB C 31.686 0.1 1 779 69 70 LYS CG C 24.61 0.1 1 780 69 70 LYS CD C 29.377 0.1 1 781 69 70 LYS CE C 41.871 0.1 1 782 69 70 LYS N N 120.51 0.1 1 783 70 71 ASP H H 8.357 0.01 1 784 70 71 ASP HA H 4.401 0.01 1 785 70 71 ASP HB2 H 2.732 0.01 1 786 70 71 ASP HB3 H 2.732 0.01 1 787 70 71 ASP C C 179.652 0.1 1 788 70 71 ASP CA C 57.92 0.1 1 789 70 71 ASP CB C 40.191 0.1 1 790 70 71 ASP N N 118.984 0.1 1 791 71 72 ASN H H 7.874 0.01 1 792 71 72 ASN HA H 4.411 0.01 1 793 71 72 ASN HB2 H 2.99 0.01 1 794 71 72 ASN HB3 H 3.161 0.01 1 795 71 72 ASN HD21 H 7.874 0.01 1 796 71 72 ASN HD22 H 8.024 0.01 1 797 71 72 ASN C C 175.399 0.1 1 798 71 72 ASN CA C 56.368 0.1 1 799 71 72 ASN CB C 38.558 0.1 1 800 71 72 ASN N N 119.217 0.1 1 801 71 72 ASN ND2 N 113.371 0.1 1 802 72 73 PHE H H 9.003 0.01 1 803 72 73 PHE HA H 3.873 0.01 1 804 72 73 PHE HB2 H 2.856 0.01 1 805 72 73 PHE HB3 H 2.856 0.01 1 806 72 73 PHE HD1 H 6.859 0.01 1 807 72 73 PHE HD2 H 6.859 0.01 1 808 72 73 PHE HE1 H 7.095 0.01 1 809 72 73 PHE HE2 H 7.095 0.01 1 810 72 73 PHE HZ H 7.404 0.01 1 811 72 73 PHE C C 176.279 0.1 1 812 72 73 PHE CA C 61.835 0.1 1 813 72 73 PHE CB C 39.154 0.1 1 814 72 73 PHE N N 122.671 0.1 1 815 73 74 LYS H H 8.66 0.01 1 816 73 74 LYS HA H 3.393 0.01 1 817 73 74 LYS HB2 H 1.828 0.01 1 818 73 74 LYS HB3 H 1.901 0.01 1 819 73 74 LYS HG2 H 1.513 0.01 1 820 73 74 LYS HG3 H 1.317 0.01 1 821 73 74 LYS HD2 H 1.695 0.01 1 822 73 74 LYS HD3 H 1.695 0.01 1 823 73 74 LYS HE2 H 2.894 0.01 1 824 73 74 LYS HE3 H 2.894 0.01 1 825 73 74 LYS C C 178.919 0.1 1 826 73 74 LYS CA C 60.395 0.1 1 827 73 74 LYS CB C 32.087 0.1 1 828 73 74 LYS CG C 25.416 0.1 1 829 73 74 LYS CD C 29.628 0.1 1 830 73 74 LYS CE C 41.766 0.1 1 831 73 74 LYS N N 120.383 0.1 1 832 74 75 LEU H H 7.856 0.01 1 833 74 75 LEU HA H 3.987 0.01 1 834 74 75 LEU HB2 H 2.068 0.01 1 835 74 75 LEU HB3 H 1.593 0.01 1 836 74 75 LEU HG H 1.419 0.01 1 837 74 75 LEU HD1 H 0.976 0.01 1 838 74 75 LEU HD2 H 0.827 0.01 1 839 74 75 LEU C C 176.786 0.1 1 840 74 75 LEU CA C 57.929 0.1 1 841 74 75 LEU CB C 42.415 0.1 1 842 74 75 LEU CD1 C 22.71 0.1 1 843 74 75 LEU CD2 C 25.837 0.1 1 844 74 75 LEU N N 122.759 0.1 1 845 75 76 MET H H 7.747 0.01 1 846 75 76 MET HA H 3.639 0.01 1 847 75 76 MET HB2 H 1.612 0.01 1 848 75 76 MET HB3 H 1.612 0.01 1 849 75 76 MET HG2 H 2.455 0.01 1 850 75 76 MET HG3 H 2.455 0.01 1 851 75 76 MET HE H 0.919 0.01 1 852 75 76 MET C C 179.029 0.1 1 853 75 76 MET CA C 59.689 0.1 1 854 75 76 MET CB C 34.027 0.1 1 855 75 76 MET CG C 30.414 0.1 1 856 75 76 MET N N 116.871 0.1 1 857 76 77 CYS H H 7.218 0.01 1 858 76 77 CYS HA H 3.543 0.01 1 859 76 77 CYS HB2 H 2.194 0.01 1 860 76 77 CYS HB3 H 2.529 0.01 1 861 76 77 CYS C C 176.213 0.1 1 862 76 77 CYS CA C 63.668 0.1 1 863 76 77 CYS CB C 28.361 0.1 1 864 76 77 CYS N N 116.135 0.1 1 865 77 78 THR H H 8.672 0.01 1 866 77 78 THR HA H 3.712 0.01 1 867 77 78 THR HB H 4.177 0.01 1 868 77 78 THR HG2 H 1.175 0.01 1 869 77 78 THR C C 177.103 0.1 1 870 77 78 THR CA C 66.734 0.1 1 871 77 78 THR CB C 68.446 0.1 1 872 77 78 THR CG2 C 20.854 0.1 1 873 77 78 THR N N 115.824 0.1 1 874 78 79 ASN H H 8.807 0.01 1 875 78 79 ASN HA H 4.327 0.01 1 876 78 79 ASN HB2 H 2.955 0.01 1 877 78 79 ASN HB3 H 2.585 0.01 1 878 78 79 ASN HD21 H 7.151 0.01 1 879 78 79 ASN HD22 H 7.299 0.01 1 880 78 79 ASN C C 177.499 0.1 1 881 78 79 ASN CA C 55.256 0.1 1 882 78 79 ASN CB C 38.2 0.1 1 883 78 79 ASN N N 120.486 0.1 1 884 78 79 ASN ND2 N 112.09 0.1 1 885 79 80 ALA H H 6.929 0.01 1 886 79 80 ALA HA H 4.463 0.01 1 887 79 80 ALA HB H 1.546 0.01 1 888 79 80 ALA C C 180.485 0.1 1 889 79 80 ALA CA C 54.652 0.1 1 890 79 80 ALA CB C 19.405 0.1 1 891 79 80 ALA N N 119.404 0.1 1 892 80 81 MET H H 7.508 0.01 1 893 80 81 MET HA H 4.318 0.01 1 894 80 81 MET HB2 H 2.328 0.01 1 895 80 81 MET HB3 H 1.945 0.01 1 896 80 81 MET HG2 H 1.308 0.01 1 897 80 81 MET HG3 H 1.308 0.01 1 898 80 81 MET HE H 1.746 0.01 1 899 80 81 MET C C 175.604 0.1 1 900 80 81 MET CA C 57.6 0.1 1 901 80 81 MET CB C 33.882 0.1 1 902 80 81 MET CG C 32.343 0.1 1 903 80 81 MET N N 117.014 0.1 1 904 81 82 ILE H H 7.823 0.01 1 905 81 82 ILE HA H 4.082 0.01 1 906 81 82 ILE HB H 1.882 0.01 1 907 81 82 ILE HG12 H 1.093 0.01 1 908 81 82 ILE HG13 H 1.093 0.01 1 909 81 82 ILE HG2 H 0.803 0.01 1 910 81 82 ILE HD1 H 0.764 0.01 1 911 81 82 ILE C C 177.923 0.1 1 912 81 82 ILE CA C 63.271 0.1 1 913 81 82 ILE CB C 38.653 0.1 1 914 81 82 ILE CG1 C 32.509 0.1 1 915 81 82 ILE CG2 C 13.38 0.1 1 916 81 82 ILE CD1 C 17.302 0.1 1 917 81 82 ILE N N 119.815 0.1 1 918 82 83 TYR H H 8.143 0.01 1 919 82 83 TYR HA H 4.026 0.01 1 920 82 83 TYR HB2 H 2.84 0.01 1 921 82 83 TYR HB3 H 2.765 0.01 1 922 82 83 TYR HD1 H 6.774 0.01 1 923 82 83 TYR HD2 H 6.847 0.01 1 924 82 83 TYR HE1 H 6.148 0.01 1 925 82 83 TYR HE2 H 6.148 0.01 1 926 82 83 TYR C C 175.281 0.1 1 927 82 83 TYR CA C 61.801 0.1 1 928 82 83 TYR CB C 40.269 0.1 1 929 82 83 TYR N N 116.954 0.1 1 930 83 84 ASN H H 7.335 0.01 1 931 83 84 ASN HA H 4.598 0.01 1 932 83 84 ASN HB2 H 2.933 0.01 1 933 83 84 ASN HB3 H 3.125 0.01 1 934 83 84 ASN C C 174.077 0.1 1 935 83 84 ASN CA C 52.511 0.1 1 936 83 84 ASN CB C 40.918 0.1 1 937 83 84 ASN N N 113.157 0.1 1 938 84 85 LYS H H 8.669 0.01 1 939 84 85 LYS HA H 4.323 0.01 1 940 84 85 LYS HB2 H 1.644 0.01 1 941 84 85 LYS HB3 H 1.644 0.01 1 942 84 85 LYS HG2 H 1.483 0.01 1 943 84 85 LYS HG3 H 1.483 0.01 1 944 84 85 LYS C C 175.455 0.1 1 945 84 85 LYS N N 120.457 0.1 1 946 85 86 PRO HA H 2.562 0.01 1 947 85 86 PRO HB2 H 1.536 0.01 1 948 85 86 PRO HB3 H 1.536 0.01 1 949 85 86 PRO HG2 H 2.091 0.01 1 950 85 86 PRO HG3 H 1.921 0.01 1 951 85 86 PRO HD2 H 3.711 0.01 1 952 85 86 PRO HD3 H 3.494 0.01 1 953 85 86 PRO C C 176.233 0.1 1 954 85 86 PRO CA C 63.892 0.1 1 955 85 86 PRO CB C 31.344 0.1 1 956 85 86 PRO CG C 27.243 0.1 1 957 85 86 PRO CD C 50.464 0.1 1 958 86 87 GLU H H 8.239 0.01 1 959 86 87 GLU HA H 4.16 0.01 1 960 86 87 GLU HB2 H 2.037 0.01 1 961 86 87 GLU HB3 H 2.037 0.01 1 962 86 87 GLU HG2 H 2.191 0.01 1 963 86 87 GLU HG3 H 2.191 0.01 1 964 86 87 GLU C C 177.362 0.1 1 965 86 87 GLU CA C 57.25 0.1 1 966 86 87 GLU CB C 28.27 0.1 1 967 86 87 GLU CG C 35.86 0.1 1 968 86 87 GLU N N 112.808 0.1 1 969 87 88 THR H H 7.985 0.01 1 970 87 88 THR HA H 4.507 0.01 1 971 87 88 THR HB H 4.431 0.01 1 972 87 88 THR HG1 H 5.537 0.01 1 973 87 88 THR HG2 H 1.472 0.01 1 974 87 88 THR C C 175.903 0.1 1 975 87 88 THR CA C 61.642 0.1 1 976 87 88 THR CB C 73.327 0.1 1 977 87 88 THR CG2 C 22.655 0.1 1 978 87 88 THR N N 110.69 0.1 1 979 88 89 ILE H H 8.644 0.01 1 980 88 89 ILE HA H 3.922 0.01 1 981 88 89 ILE HB H 1.759 0.01 1 982 88 89 ILE HG12 H 1.116 0.01 1 983 88 89 ILE HG13 H 1.116 0.01 1 984 88 89 ILE HG2 H 0.881 0.01 1 985 88 89 ILE HD1 H 0.738 0.01 1 986 88 89 ILE C C 178.349 0.1 1 987 88 89 ILE CA C 63.811 0.1 1 988 88 89 ILE CB C 37.611 0.1 1 989 88 89 ILE CG2 C 17.134 0.1 1 990 88 89 ILE N N 118.946 0.1 1 991 89 90 TYR H H 6.95 0.01 1 992 89 90 TYR HA H 3.892 0.01 1 993 89 90 TYR HB2 H 3.088 0.01 1 994 89 90 TYR HB3 H 2.572 0.01 1 995 89 90 TYR HD1 H 6.605 0.01 1 996 89 90 TYR HD2 H 6.605 0.01 1 997 89 90 TYR C C 177.577 0.1 1 998 89 90 TYR CA C 60.377 0.1 1 999 89 90 TYR CB C 38.681 0.1 1 1000 89 90 TYR N N 118.876 0.1 1 1001 90 91 TYR H H 7.486 0.01 1 1002 90 91 TYR HA H 3.75 0.01 1 1003 90 91 TYR HB2 H 2.573 0.01 1 1004 90 91 TYR HB3 H 3.172 0.01 1 1005 90 91 TYR HD1 H 6.98 0.01 1 1006 90 91 TYR HD2 H 6.98 0.01 1 1007 90 91 TYR C C 177.342 0.1 1 1008 90 91 TYR CA C 62.078 0.1 1 1009 90 91 TYR CB C 39.383 0.1 1 1010 90 91 TYR N N 119.428 0.1 1 1011 91 92 LYS H H 7.974 0.01 1 1012 91 92 LYS HA H 3.946 0.01 1 1013 91 92 LYS HB2 H 1.992 0.01 1 1014 91 92 LYS HB3 H 1.992 0.01 1 1015 91 92 LYS C C 179.732 0.1 1 1016 91 92 LYS CA C 60.297 0.1 1 1017 91 92 LYS CB C 32.739 0.1 1 1018 91 92 LYS CG C 21.478 0.1 1 1019 91 92 LYS CD C 26.493 0.1 1 1020 91 92 LYS CE C 42.242 0.1 1 1021 91 92 LYS N N 117.107 0.1 1 1022 92 93 ALA H H 8.56 0.01 1 1023 92 93 ALA HA H 4.346 0.01 1 1024 92 93 ALA HB H 1.885 0.01 1 1025 92 93 ALA C C 180.63 0.1 1 1026 92 93 ALA CA C 54.879 0.1 1 1027 92 93 ALA CB C 19.241 0.1 1 1028 92 93 ALA N N 120.939 0.1 1 1029 93 94 ALA H H 8.294 0.01 1 1030 93 94 ALA HA H 3.856 0.01 1 1031 93 94 ALA HB H 1.515 0.01 1 1032 93 94 ALA C C 178.177 0.1 1 1033 93 94 ALA CA C 55.4 0.1 1 1034 93 94 ALA CB C 20.054 0.1 1 1035 93 94 ALA N N 122.959 0.1 1 1036 94 95 LYS H H 8.199 0.01 1 1037 94 95 LYS HA H 3.794 0.01 1 1038 94 95 LYS HB2 H 1.679 0.01 1 1039 94 95 LYS HB3 H 1.879 0.01 1 1040 94 95 LYS HG2 H 1.336 0.01 1 1041 94 95 LYS HG3 H 1.336 0.01 1 1042 94 95 LYS HE2 H 3.016 0.01 1 1043 94 95 LYS HE3 H 3.016 0.01 1 1044 94 95 LYS C C 179.142 0.1 1 1045 94 95 LYS CA C 60.231 0.1 1 1046 94 95 LYS CB C 32.941 0.1 1 1047 94 95 LYS CG C 25.087 0.1 1 1048 94 95 LYS CD C 29.876 0.1 1 1049 94 95 LYS CE C 42.311 0.1 1 1050 94 95 LYS N N 119.489 0.1 1 1051 95 96 LYS H H 7.717 0.01 1 1052 95 96 LYS HA H 4.216 0.01 1 1053 95 96 LYS HB2 H 2.019 0.01 1 1054 95 96 LYS HB3 H 2.019 0.01 1 1055 95 96 LYS HG2 H 1.644 0.01 1 1056 95 96 LYS HG3 H 1.644 0.01 1 1057 95 96 LYS HD2 H 1.796 0.01 1 1058 95 96 LYS HD3 H 1.796 0.01 1 1059 95 96 LYS HE2 H 3.046 0.01 1 1060 95 96 LYS HE3 H 3.046 0.01 1 1061 95 96 LYS C C 179.168 0.1 1 1062 95 96 LYS CA C 59.464 0.1 1 1063 95 96 LYS CB C 32.864 0.1 1 1064 95 96 LYS CG C 24.979 0.1 1 1065 95 96 LYS CD C 29.115 0.1 1 1066 95 96 LYS N N 119.096 0.1 1 1067 96 97 LEU H H 8.428 0.01 1 1068 96 97 LEU HA H 4.246 0.01 1 1069 96 97 LEU HB2 H 1.719 0.01 1 1070 96 97 LEU HB3 H 1.719 0.01 1 1071 96 97 LEU HG H 1.59 0.01 1 1072 96 97 LEU HD1 H 1.156 0.01 1 1073 96 97 LEU HD2 H 0.666 0.01 1 1074 96 97 LEU C C 178.658 0.1 1 1075 96 97 LEU CA C 57.905 0.1 1 1076 96 97 LEU CB C 42.059 0.1 1 1077 96 97 LEU CG C 26.872 0.1 1 1078 96 97 LEU CD1 C 23.767 0.1 1 1079 96 97 LEU CD2 C 28.272 0.1 1 1080 96 97 LEU N N 122.232 0.1 1 1081 97 98 LEU H H 8.587 0.01 1 1082 97 98 LEU HA H 4.183 0.01 1 1083 97 98 LEU HB2 H 1.276 0.01 1 1084 97 98 LEU HB3 H 1.276 0.01 1 1085 97 98 LEU HG H 1.517 0.01 1 1086 97 98 LEU HD1 H 0.835 0.01 1 1087 97 98 LEU HD2 H 0.785 0.01 1 1088 97 98 LEU C C 178.553 0.1 1 1089 97 98 LEU CA C 58.585 0.1 1 1090 97 98 LEU CB C 41.72 0.1 1 1091 97 98 LEU CG C 26.328 0.1 1 1092 97 98 LEU CD1 C 17.982 0.1 1 1093 97 98 LEU CD2 C 23.117 0.1 1 1094 97 98 LEU N N 121.465 0.1 1 1095 98 99 HIS H H 7.653 0.01 1 1096 98 99 HIS HA H 4.286 0.01 1 1097 98 99 HIS HB2 H 3.315 0.01 1 1098 98 99 HIS HB3 H 3.315 0.01 1 1099 98 99 HIS HD2 H 7.156 0.01 1 1100 98 99 HIS C C 178.801 0.1 1 1101 98 99 HIS CA C 59.804 0.1 1 1102 98 99 HIS CB C 29.797 0.1 1 1103 98 99 HIS N N 116.102 0.1 1 1104 99 100 SER H H 8.729 0.01 1 1105 99 100 SER HA H 4.215 0.01 1 1106 99 100 SER HB2 H 3.971 0.01 1 1107 99 100 SER HB3 H 3.971 0.01 1 1108 99 100 SER C C 178.003 0.1 1 1109 99 100 SER CA C 62.024 0.1 1 1110 99 100 SER CB C 63.538 0.1 1 1111 99 100 SER N N 115.28 0.1 1 1112 100 101 GLY H H 9.744 0.01 1 1113 100 101 GLY HA2 H 3.778 0.01 1 1114 100 101 GLY HA3 H 3.55 0.01 1 1115 100 101 GLY C C 175.348 0.1 1 1116 100 101 GLY CA C 46.978 0.1 1 1117 100 101 GLY N N 112.337 0.1 1 1118 101 102 MET H H 8.523 0.01 1 1119 101 102 MET HA H 4.427 0.01 1 1120 101 102 MET HB2 H 2.002 0.01 1 1121 101 102 MET HB3 H 2.296 0.01 1 1122 101 102 MET HG2 H 2.999 0.01 1 1123 101 102 MET HG3 H 2.828 0.01 1 1124 101 102 MET C C 179.349 0.1 1 1125 101 102 MET CA C 57.14 0.1 1 1126 101 102 MET CB C 30.14 0.1 1 1127 101 102 MET CG C 33.201 0.1 1 1128 101 102 MET N N 119.316 0.1 1 1129 102 103 LYS H H 7.068 0.01 1 1130 102 103 LYS HA H 4.037 0.01 1 1131 102 103 LYS HB2 H 1.88 0.01 1 1132 102 103 LYS HB3 H 1.88 0.01 1 1133 102 103 LYS HG2 H 1.327 0.01 1 1134 102 103 LYS HG3 H 1.511 0.01 1 1135 102 103 LYS HD2 H 1.635 0.01 1 1136 102 103 LYS HD3 H 1.635 0.01 1 1137 102 103 LYS HE2 H 2.861 0.01 1 1138 102 103 LYS HE3 H 2.861 0.01 1 1139 102 103 LYS C C 179.244 0.1 1 1140 102 103 LYS CA C 59.636 0.1 1 1141 102 103 LYS CB C 31.921 0.1 1 1142 102 103 LYS CG C 24.676 0.1 1 1143 102 103 LYS CD C 28.957 0.1 1 1144 102 103 LYS CE C 41.838 0.1 1 1145 102 103 LYS N N 119.244 0.1 1 1146 103 104 ILE H H 7.156 0.01 1 1147 103 104 ILE HA H 3.655 0.01 1 1148 103 104 ILE HB H 1.838 0.01 1 1149 103 104 ILE HG12 H 1.085 0.01 1 1150 103 104 ILE HG13 H 1.085 0.01 1 1151 103 104 ILE HG2 H 0.685 0.01 1 1152 103 104 ILE HD1 H 0.667 0.01 1 1153 103 104 ILE C C 177.827 0.1 1 1154 103 104 ILE CA C 64.615 0.1 1 1155 103 104 ILE CB C 38.291 0.1 1 1156 103 104 ILE CG2 C 17.551 0.1 1 1157 103 104 ILE N N 120.084 0.1 1 1158 104 105 LEU C C 176.699 0.1 1 1159 104 105 LEU H H 7.94 0.01 1 1160 104 105 LEU HA H 3.966 0.01 1 1161 104 105 LEU HB2 H 1.372 0.01 1 1162 104 105 LEU HB3 H 1.701 0.01 1 1163 104 105 LEU HG H 1.429 0.01 1 1164 104 105 LEU HD1 H 0.454 0.01 1 1165 104 105 LEU HD2 H 0.634 0.01 1 1166 104 105 LEU CA C 56.115 0.1 1 1167 104 105 LEU CB C 41.84 0.1 1 1168 104 105 LEU CD1 C 26.227 0.1 1 1169 104 105 LEU CD2 C 23.903 0.1 1 1170 104 105 LEU N N 116.915 0.1 1 1171 105 106 SER H H 7.511 0.01 1 1172 105 106 SER HA H 4.405 0.01 1 1173 105 106 SER HB2 H 3.953 0.01 1 1174 105 106 SER HB3 H 3.953 0.01 1 1175 105 106 SER C C 174.581 0.1 1 1176 105 106 SER CA C 58.848 0.1 1 1177 105 106 SER CB C 63.789 0.1 1 1178 105 106 SER N N 113.757 0.1 1 1179 106 107 GLN H H 7.813 0.01 1 1180 106 107 GLN HA H 4.149 0.01 1 1181 106 107 GLN HB2 H 2.074 0.01 1 1182 106 107 GLN HB3 H 2.047 0.01 1 1183 106 107 GLN HG2 H 2.377 0.01 1 1184 106 107 GLN HG3 H 2.377 0.01 1 1185 106 107 GLN HE21 H 7.609 0.01 1 1186 106 107 GLN HE22 H 6.92 0.01 1 1187 106 107 GLN C C 176.269 0.1 1 1188 106 107 GLN CA C 56.746 0.1 1 1189 106 107 GLN CB C 29.262 0.1 1 1190 106 107 GLN CG C 33.865 0.1 1 1191 106 107 GLN N N 121.292 0.1 1 1192 106 107 GLN NE2 N 112.237 0.1 1 1193 107 108 GLU H H 8.343 0.01 1 1194 107 108 GLU HA H 4.133 0.01 1 1195 107 108 GLU HB2 H 1.951 0.01 1 1196 107 108 GLU HB3 H 1.951 0.01 1 1197 107 108 GLU HG2 H 2.212 0.01 1 1198 107 108 GLU HG3 H 2.212 0.01 1 1199 107 108 GLU C C 176.244 0.1 1 1200 107 108 GLU CA C 56.568 0.1 1 1201 107 108 GLU CB C 30.203 0.1 1 1202 107 108 GLU CG C 35.948 0.1 1 1203 107 108 GLU N N 121.31 0.1 1 1204 108 109 ARG H H 8.288 0.01 1 1205 108 109 ARG HA H 4.548 0.01 1 1206 108 109 ARG HB2 H 3.026 0.01 1 1207 108 109 ARG HB3 H 3.026 0.01 1 1208 108 109 ARG HG2 H 1.848 0.01 1 1209 108 109 ARG HG3 H 1.848 0.01 1 1210 108 109 ARG C C 176.406 0.1 1 1211 108 109 ARG CA C 55.995 0.1 1 1212 108 109 ARG CB C 30.252 0.1 1 1213 108 109 ARG N N 119.461 0.1 1 1214 109 110 LEU H H 8.191 0.01 1 1215 109 110 LEU HA H 4.223 0.01 1 1216 109 110 LEU HB2 H 1.578 0.01 1 1217 109 110 LEU HB3 H 1.462 0.01 1 1218 109 110 LEU HD1 H 0.794 0.01 1 1219 109 110 LEU C C 177.406 0.1 1 1220 109 110 LEU CA C 55.513 0.1 1 1221 109 110 LEU CB C 42.127 0.1 1 1222 109 110 LEU N N 122.662 0.1 1 1223 110 111 GLU H H 8.304 0.01 1 1224 110 111 GLU HA H 4.323 0.01 1 1225 110 111 GLU HB2 H 2.038 0.01 1 1226 110 111 GLU HB3 H 1.887 0.01 1 1227 110 111 GLU C C 175.917 0.1 1 1228 110 111 GLU CA C 56.341 0.1 1 1229 110 111 GLU CB C 30.239 0.1 1 1230 110 111 GLU N N 120.731 0.1 1 stop_ save_