data_16063 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of ILK/PINCH complex ; _BMRB_accession_number 16063 _BMRB_flat_file_name bmr16063.str _Entry_type original _Submission_date 2008-12-17 _Accession_date 2008-12-17 _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 Qin Jun . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1426 "13C chemical shifts" 787 "15N chemical shifts" 265 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-27 update BMRB 'edit entity/assembly name' 2009-04-16 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural Basis of Focal Adhesion Localization of LIM-only Adaptor PINCH by Integrin-linked Kinase ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19117955 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yang Yanwu . . 2 Wang Xiaoxia . . 3 Hawkins Cheryl A. . 4 Chen Kan . . 5 Vaynberg Julia . . 6 Mao Xian . . 7 Tu Yizeng . . 8 Zuo Xiaobing . . 9 Wang Jinbu . . 10 Wang Yun-xing . . 11 Wu Chuanyue . . 12 Tjandra Nico . . 13 Qin Jun . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 284 _Journal_issue 9 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5836 _Page_last 5844 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'ILK/PINCH complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label ILK $entity_1 PINCH $entity_2 'ZINC ION_1' $ZN 'ZINC ION_2' $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ILK _Molecular_mass 19380.070 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 171 _Mol_residue_sequence ; MDDIFTQCREGNAVAVRLWL DNTENDLNQGDDHGFSPLHW ACREGRSAVVEMLIMRGARI NVMNRGDDTPLHLAASHGHR DIVQKLLQYKADINAVNEHG NVPLHYACFWGQDQVAEDLV ANGALVSICNKYGEMPVDKA KAPLRELLRERAEKMGQNLN RIPYKDTFWKG ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASP 3 ASP 4 ILE 5 PHE 6 THR 7 GLN 8 CYS 9 ARG 10 GLU 11 GLY 12 ASN 13 ALA 14 VAL 15 ALA 16 VAL 17 ARG 18 LEU 19 TRP 20 LEU 21 ASP 22 ASN 23 THR 24 GLU 25 ASN 26 ASP 27 LEU 28 ASN 29 GLN 30 GLY 31 ASP 32 ASP 33 HIS 34 GLY 35 PHE 36 SER 37 PRO 38 LEU 39 HIS 40 TRP 41 ALA 42 CYS 43 ARG 44 GLU 45 GLY 46 ARG 47 SER 48 ALA 49 VAL 50 VAL 51 GLU 52 MET 53 LEU 54 ILE 55 MET 56 ARG 57 GLY 58 ALA 59 ARG 60 ILE 61 ASN 62 VAL 63 MET 64 ASN 65 ARG 66 GLY 67 ASP 68 ASP 69 THR 70 PRO 71 LEU 72 HIS 73 LEU 74 ALA 75 ALA 76 SER 77 HIS 78 GLY 79 HIS 80 ARG 81 ASP 82 ILE 83 VAL 84 GLN 85 LYS 86 LEU 87 LEU 88 GLN 89 TYR 90 LYS 91 ALA 92 ASP 93 ILE 94 ASN 95 ALA 96 VAL 97 ASN 98 GLU 99 HIS 100 GLY 101 ASN 102 VAL 103 PRO 104 LEU 105 HIS 106 TYR 107 ALA 108 CYS 109 PHE 110 TRP 111 GLY 112 GLN 113 ASP 114 GLN 115 VAL 116 ALA 117 GLU 118 ASP 119 LEU 120 VAL 121 ALA 122 ASN 123 GLY 124 ALA 125 LEU 126 VAL 127 SER 128 ILE 129 CYS 130 ASN 131 LYS 132 TYR 133 GLY 134 GLU 135 MET 136 PRO 137 VAL 138 ASP 139 LYS 140 ALA 141 LYS 142 ALA 143 PRO 144 LEU 145 ARG 146 GLU 147 LEU 148 LEU 149 ARG 150 GLU 151 ARG 152 ALA 153 GLU 154 LYS 155 MET 156 GLY 157 GLN 158 ASN 159 LEU 160 ASN 161 ARG 162 ILE 163 PRO 164 TYR 165 LYS 166 ASP 167 THR 168 PHE 169 TRP 170 LYS 171 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 2KBX "Solution Structure Of Ilk-Pinch Complex" 100.00 171 100.00 100.00 1.23e-123 PDB 3F6Q "Crystal Structure Of Integrin-Linked Kinase Ankyrin Repeat Domain In Complex With Pinch1 Lim1 Domain" 100.00 179 100.00 100.00 1.03e-123 PDB 3IXE "Structural Basis Of Competition Between Pinch1 And Pinch2 For Binding To The Ankyrin Repeat Domain Of Integrin-Linked Kinase" 100.00 179 100.00 100.00 1.03e-123 PDB 4HI8 "Structure Of Integrin-linked Kinase Ankyrin Repeat Domain In Complex With Pinch1 Lim1 Domain Collected At High Energy, Waveleng" 100.00 179 100.00 100.00 1.03e-123 PDB 4HI9 "1.2 Structure Of Integrin-linked Kinase Ankyrin Repeat Domain In Complex With Pinch1 Lim1 Domain Collected At Wavelength 0.9197" 100.00 179 100.00 100.00 1.03e-123 DBJ BAG73298 "integrin-linked kinase [synthetic construct]" 100.00 452 100.00 100.00 1.02e-120 DBJ BAH12404 "unnamed protein product [Homo sapiens]" 69.01 391 99.15 99.15 4.41e-78 DBJ BAH56666 "integrin-linked kinase [Cricetulus griseus]" 100.00 452 100.00 100.00 9.37e-121 EMBL CAB94832 "integrin-linked kinase-2 [Homo sapiens]" 100.00 452 100.00 100.00 8.23e-121 EMBL CAB99253 "integrin-linked kinase 1 [Homo sapiens]" 100.00 452 100.00 100.00 1.02e-120 EMBL CAG28601 "ILK [Homo sapiens]" 100.00 452 100.00 100.00 1.02e-120 EMBL CAH18077 "hypothetical protein [Homo sapiens]" 100.00 452 100.00 100.00 1.02e-120 EMBL CAH92862 "hypothetical protein [Pongo abelii]" 100.00 452 100.00 100.00 1.37e-120 GB AAB94646 "integrin binding protein kinase [Mus musculus]" 100.00 452 99.42 99.42 5.81e-120 GB AAC16892 "integrin-linked kinase [Homo sapiens]" 100.00 452 100.00 100.00 1.02e-120 GB AAF70501 "beta-integrin-linked kinase [Cavia porcellus]" 100.00 451 99.42 100.00 5.11e-120 GB AAF74449 "integrin-linked kinase 1 [Homo sapiens]" 100.00 452 100.00 100.00 1.02e-120 GB AAH01554 "Integrin-linked kinase [Homo sapiens]" 100.00 452 100.00 100.00 1.02e-120 PRF 2202330A "beta integrin-linked protein kinase" 100.00 451 100.00 100.00 8.70e-121 REF NP_001014794 "integrin-linked protein kinase isoform 1 [Homo sapiens]" 100.00 452 100.00 100.00 1.02e-120 REF NP_001014795 "integrin-linked protein kinase isoform 1 [Homo sapiens]" 100.00 452 100.00 100.00 1.02e-120 REF NP_001029865 "integrin-linked protein kinase [Bos taurus]" 100.00 452 99.42 99.42 5.10e-120 REF NP_001126674 "integrin-linked protein kinase [Pongo abelii]" 100.00 452 100.00 100.00 1.37e-120 REF NP_001155196 "integrin-linked protein kinase [Mus musculus]" 100.00 452 100.00 100.00 1.12e-120 SP O55222 "RecName: Full=Integrin-linked protein kinase" 100.00 452 100.00 100.00 1.12e-120 SP P57044 "RecName: Full=Integrin-linked protein kinase; AltName: Full=Beta-integrin-linked kinase" 100.00 451 99.42 100.00 5.11e-120 SP Q13418 "RecName: Full=Integrin-linked protein kinase; AltName: Full=59 kDa serine/threonine-protein kinase; AltName: Full=ILK-1; AltNam" 100.00 452 100.00 100.00 1.02e-120 SP Q3SWY2 "RecName: Full=Integrin-linked protein kinase" 100.00 452 99.42 99.42 5.10e-120 SP Q5R5V4 "RecName: Full=Integrin-linked protein kinase" 100.00 452 100.00 100.00 1.37e-120 TPG DAA22142 "TPA: integrin-linked kinase [Bos taurus]" 100.00 452 99.42 99.42 6.41e-120 stop_ save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PINCH _Molecular_mass 7963.068 _Mol_thiol_state 'free and other bound' _Details . _Residue_count 70 _Mol_residue_sequence ; MANALASATCERCKGGFAPA EKIVNSNGELYHEQCFVCAQ CFQQFPEGLFYEFEGRKYCE HDFQMLFAPC ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 ASN 4 ALA 5 LEU 6 ALA 7 SER 8 ALA 9 THR 10 CYS 11 GLU 12 ARG 13 CYS 14 LYS 15 GLY 16 GLY 17 PHE 18 ALA 19 PRO 20 ALA 21 GLU 22 LYS 23 ILE 24 VAL 25 ASN 26 SER 27 ASN 28 GLY 29 GLU 30 LEU 31 TYR 32 HIS 33 GLU 34 GLN 35 CYS 36 PHE 37 VAL 38 CYS 39 ALA 40 GLN 41 CYS 42 PHE 43 GLN 44 GLN 45 PHE 46 PRO 47 GLU 48 GLY 49 LEU 50 PHE 51 TYR 52 GLU 53 PHE 54 GLU 55 GLY 56 ARG 57 LYS 58 TYR 59 CYS 60 GLU 61 HIS 62 ASP 63 PHE 64 GLN 65 MET 66 LEU 67 PHE 68 ALA 69 PRO 70 CYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 4884 LIM1 100.00 77 100.00 100.00 6.61e-43 PDB 1G47 "1st Lim Domain Of Pinch Protein" 100.00 77 100.00 100.00 6.61e-43 PDB 2KBX "Solution Structure Of Ilk-Pinch Complex" 100.00 70 100.00 100.00 1.11e-42 PDB 3F6Q "Crystal Structure Of Integrin-Linked Kinase Ankyrin Repeat Domain In Complex With Pinch1 Lim1 Domain" 90.00 72 100.00 100.00 2.89e-37 PDB 4HI8 "Structure Of Integrin-linked Kinase Ankyrin Repeat Domain In Complex With Pinch1 Lim1 Domain Collected At High Energy, Waveleng" 90.00 72 100.00 100.00 2.89e-37 PDB 4HI9 "1.2 Structure Of Integrin-linked Kinase Ankyrin Repeat Domain In Complex With Pinch1 Lim1 Domain Collected At Wavelength 0.9197" 90.00 72 100.00 100.00 2.89e-37 DBJ BAG35111 "unnamed protein product [Homo sapiens]" 74.29 117 98.08 98.08 2.33e-27 DBJ BAG60588 "unnamed protein product [Homo sapiens]" 100.00 248 98.57 98.57 3.34e-40 DBJ BAH14581 "unnamed protein product [Homo sapiens]" 100.00 248 98.57 98.57 3.34e-40 GB AAF99328 "pinch-2 protein [Homo sapiens]" 74.29 117 98.08 98.08 1.26e-27 GB AAH93812 "LIM and senescent cell antigen-like domains 3 [Homo sapiens]" 74.29 117 98.08 98.08 1.26e-27 GB AAI12234 "LIM and senescent cell antigen-like domains 3 [Homo sapiens]" 74.29 117 98.08 98.08 1.26e-27 GB AAY14903 "unknown [Homo sapiens]" 74.29 117 98.08 98.08 1.26e-27 GB AAY24131 "unknown [Homo sapiens]" 74.29 117 98.08 98.08 1.26e-27 REF NP_001192217 "LIM and senescent cell antigen-like-containing domain protein 3-like [Homo sapiens]" 74.29 117 98.08 98.08 1.26e-27 REF NP_277049 "LIM and senescent cell antigen-like-containing domain protein 3 [Homo sapiens]" 74.29 117 98.08 98.08 1.26e-27 REF XP_002811796 "PREDICTED: LIM and senescent cell antigen-like-containing domain protein 3-like [Pongo abelii]" 74.29 115 100.00 100.00 3.11e-28 REF XP_002929430 "PREDICTED: LIM and senescent cell antigen-like-containing domain protein 3-like [Ailuropoda melanoleuca]" 74.29 135 98.08 100.00 1.39e-27 REF XP_003309226 "PREDICTED: LIM and senescent cell antigen-like-containing domain protein 1 isoform X9 [Pan troglodytes]" 74.29 117 100.00 100.00 2.27e-28 SP P0CW19 "RecName: Full=LIM and senescent cell antigen-like-containing domain protein 3; AltName: Full=Particularly interesting new Cys-H" 74.29 117 98.08 98.08 1.26e-27 SP P0CW20 "RecName: Full=LIM and senescent cell antigen-like-containing domain protein 3-like [Homo sapiens]" 74.29 117 98.08 98.08 1.26e-27 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Nov 18 21:04:59 2008 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens $entity_2 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . . . . pGEX $entity_2 'recombinant technology' . . . . pGEX $ZN 'obtained from a vendor' . . . . none stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.1-0.5 mM '[U-100% 15N]' $entity_1 0.1-0.5 mM '[U-100% 13C; U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 303 . K pH 6.5 . pH pressure 1 . atm 'ionic strength' 50 . mM stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water H 1 protons ppm 4.71 internal direct . . . 1 water C 13 protons ppm 4.71 internal direct . . . 1 water N 15 protons ppm 4.71 internal direct . . . 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_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' 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 ILK _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET H H 7.6600 0.02 1 2 1 1 MET HA H 4.4770 0.02 1 3 1 1 MET HB2 H 2.0000 0.02 . 4 1 1 MET HB3 H 2.0000 0.02 . 5 1 1 MET HE H 1.7750 0.02 . 6 1 1 MET CA C 59.6300 0.15 1 7 1 1 MET CB C 32.7800 0.15 1 8 1 1 MET CE C 26.7400 0.15 1 9 1 1 MET CG C 30.5400 0.15 1 10 1 1 MET N N 118.8700 0.08 1 11 2 2 ASP H H 7.1750 0.02 1 12 2 2 ASP HA H 4.3100 0.02 1 13 2 2 ASP HB2 H 2.6700 0.02 . 14 2 2 ASP HB3 H 2.6700 0.02 . 15 2 2 ASP CA C 52.9700 0.15 1 16 2 2 ASP CB C 39.7990 0.15 1 17 2 2 ASP N N 114.5200 0.08 1 18 3 3 ASP H H 8.2000 0.02 1 19 3 3 ASP HA H 4.5400 0.02 1 20 3 3 ASP HB2 H 2.7400 0.02 . 21 3 3 ASP HB3 H 2.8700 0.02 2 22 3 3 ASP CA C 53.0600 0.15 1 23 3 3 ASP CB C 42.2400 0.15 1 24 3 3 ASP N N 120.7700 0.08 1 25 4 4 ILE H H 8.1460 0.02 1 26 4 4 ILE HA H 3.6330 0.02 1 27 4 4 ILE HB H -0.0690 0.02 1 28 4 4 ILE HD1 H 0.1400 0.02 . 29 4 4 ILE HG12 H -1.1760 0.02 . 30 4 4 ILE HG13 H -1.1760 0.02 . 31 4 4 ILE HG2 H -0.4900 0.02 . 32 4 4 ILE CA C 58.9200 0.15 1 33 4 4 ILE CB C 36.2500 0.15 1 34 4 4 ILE CD1 C 15.0500 0.15 1 35 4 4 ILE CG1 C 32.6000 0.15 1 36 4 4 ILE CG2 C 16.6200 0.15 1 37 4 4 ILE N N 118.7600 0.08 1 38 5 5 PHE H H 6.6200 0.02 1 39 5 5 PHE HA H 3.7200 0.02 1 40 5 5 PHE HB2 H 2.9500 0.02 . 41 5 5 PHE HB3 H 3.0900 0.02 2 42 5 5 PHE HD1 H 7.3200 0.02 3 43 5 5 PHE HD2 H 7.3200 0.02 3 44 5 5 PHE HE1 H 7.2000 0.02 3 45 5 5 PHE HE2 H 7.2000 0.02 3 46 5 5 PHE HZ H 6.9200 0.02 1 47 5 5 PHE CA C 61.2400 0.15 1 48 5 5 PHE CB C 36.9700 0.15 1 49 5 5 PHE CD1 C 130.7900 0.15 3 50 5 5 PHE CD2 C 130.7900 0.15 3 51 5 5 PHE CE1 C 130.9100 0.15 3 52 5 5 PHE CE2 C 130.9100 0.15 3 53 5 5 PHE CZ C 129.2200 0.15 1 54 5 5 PHE N N 122.8500 0.08 1 55 6 6 THR H H 8.0600 0.02 1 56 6 6 THR HA H 3.4400 0.02 1 57 6 6 THR HB H 4.1000 0.02 1 58 6 6 THR HG2 H 1.0700 0.02 . 59 6 6 THR CA C 66.5600 0.15 1 60 6 6 THR CB C 67.9200 0.15 1 61 6 6 THR CG2 C 21.6300 0.15 1 62 6 6 THR N N 117.1400 0.08 1 63 7 7 GLN H H 8.0000 0.02 1 64 7 7 GLN HA H 3.5800 0.02 1 65 7 7 GLN HB2 H 2.2200 0.02 . 66 7 7 GLN HB3 H 1.9500 0.02 2 67 7 7 GLN HE21 H 7.7100 0.02 2 68 7 7 GLN HE22 H 6.8500 0.02 2 69 7 7 GLN HG2 H 2.7300 0.02 . 70 7 7 GLN HG3 H 2.3600 0.02 2 71 7 7 GLN CA C 58.0900 0.15 1 72 7 7 GLN CB C 26.7800 0.15 1 73 7 7 GLN CG C 31.7400 0.15 1 74 7 7 GLN N N 119.3500 0.08 1 75 7 7 GLN NE2 N 114.4100 0.08 1 76 8 8 CYS H H 8.0500 0.02 1 77 8 8 CYS HA H 3.9700 0.02 1 78 8 8 CYS HB2 H 2.5200 0.02 . 79 8 8 CYS HB3 H 2.7300 0.02 2 80 8 8 CYS CA C 64.9500 0.15 1 81 8 8 CYS CB C 27.8400 0.15 1 82 8 8 CYS N N 117.1200 0.08 1 83 9 9 ARG H H 8.0200 0.02 1 84 9 9 ARG HA H 4.7800 0.02 1 85 9 9 ARG HB2 H 1.7600 0.02 . 86 9 9 ARG HB3 H 1.5900 0.02 2 87 9 9 ARG HD2 H 3.1700 0.02 . 88 9 9 ARG HD3 H 3.2500 0.02 2 89 9 9 ARG HG2 H 1.5600 0.02 . 90 9 9 ARG HG3 H 1.5600 0.02 . 91 9 9 ARG CA C 59.8100 0.15 1 92 9 9 ARG CB C 30.5300 0.15 1 93 9 9 ARG CD C 43.6300 0.15 1 94 9 9 ARG CG C 26.1600 0.15 1 95 9 9 ARG N N 118.7700 0.08 1 96 10 10 GLU H H 8.2800 0.02 1 97 10 10 GLU HA H 4.1200 0.02 1 98 10 10 GLU HB2 H 1.8400 0.02 . 99 10 10 GLU HB3 H 1.7600 0.02 2 100 10 10 GLU HG2 H 2.4000 0.02 . 101 10 10 GLU HG3 H 2.1900 0.02 2 102 10 10 GLU CA C 56.4800 0.15 1 103 10 10 GLU CB C 29.8500 0.15 1 104 10 10 GLU CG C 36.2900 0.15 1 105 10 10 GLU N N 114.8100 0.08 1 106 11 11 GLY H H 7.6600 0.02 1 107 11 11 GLY HA2 H 3.9500 0.02 . 108 11 11 GLY HA3 H 3.3500 0.02 2 109 11 11 GLY CA C 46.0600 0.15 1 110 11 11 GLY N N 108.0200 0.08 1 111 12 12 ASN H H 8.2600 0.02 1 112 12 12 ASN HA H 5.0400 0.02 1 113 12 12 ASN HB2 H 2.9100 0.02 . 114 12 12 ASN HB3 H 2.8200 0.02 2 115 12 12 ASN HD21 H 7.6300 0.02 2 116 12 12 ASN HD22 H 6.7100 0.02 2 117 12 12 ASN CA C 51.3900 0.15 1 118 12 12 ASN CB C 37.8600 0.15 1 119 12 12 ASN N N 118.7400 0.08 1 120 12 12 ASN ND2 N 113.8900 0.08 1 121 13 13 ALA H H 8.0160 0.02 1 122 13 13 ALA HA H 3.6400 0.02 1 123 13 13 ALA HB H 1.3560 0.02 . 124 13 13 ALA CA C 55.2300 0.15 1 125 13 13 ALA CB C 18.2900 0.15 1 126 13 13 ALA N N 127.7500 0.08 1 127 14 14 VAL H H 8.0200 0.02 1 128 14 14 VAL HA H 3.5800 0.02 1 129 14 14 VAL HB H 2.0300 0.02 1 130 14 14 VAL HG1 H 1.0400 0.02 . 131 14 14 VAL HG2 H 0.9200 0.02 . 132 14 14 VAL CA C 66.0000 0.15 1 133 14 14 VAL CB C 31.4300 0.15 1 134 14 14 VAL CG1 C 22.1500 0.15 2 135 14 14 VAL CG2 C 20.5100 0.15 2 136 14 14 VAL N N 118.1300 0.08 1 137 15 15 ALA H H 7.0300 0.02 1 138 15 15 ALA HA H 4.0400 0.02 1 139 15 15 ALA HB H 1.2350 0.02 . 140 15 15 ALA CA C 54.1500 0.15 1 141 15 15 ALA CB C 18.5400 0.15 1 142 15 15 ALA N N 121.2700 0.08 1 143 16 16 VAL H H 8.0600 0.02 1 144 16 16 VAL HA H 3.4200 0.02 1 145 16 16 VAL HB H 1.9200 0.02 1 146 16 16 VAL HG1 H 0.8500 0.02 . 147 16 16 VAL HG2 H 0.8600 0.02 . 148 16 16 VAL CA C 66.4300 0.15 1 149 16 16 VAL CB C 31.2500 0.15 1 150 16 16 VAL CG1 C 20.6000 0.15 2 151 16 16 VAL CG2 C 23.5400 0.15 2 152 16 16 VAL N N 119.0400 0.08 1 153 17 17 ARG H H 8.0900 0.02 1 154 17 17 ARG HA H 3.8300 0.02 1 155 17 17 ARG HB2 H 1.8000 0.02 . 156 17 17 ARG HB3 H 1.8000 0.02 . 157 17 17 ARG HD2 H 3.2140 0.02 . 158 17 17 ARG HD3 H 3.2140 0.02 . 159 17 17 ARG HG2 H 1.6400 0.02 . 160 17 17 ARG HG3 H 1.6400 0.02 . 161 17 17 ARG CA C 59.6100 0.15 1 162 17 17 ARG CB C 29.5500 0.15 1 163 17 17 ARG CD C 42.9000 0.15 1 164 17 17 ARG CG C 26.1600 0.15 1 165 17 17 ARG N N 120.7800 0.08 1 166 18 18 LEU H H 7.4600 0.02 1 167 18 18 LEU HA H 4.1100 0.02 1 168 18 18 LEU HB2 H 1.6200 0.02 . 169 18 18 LEU HB3 H 1.7900 0.02 2 170 18 18 LEU HD1 H 0.9100 0.02 . 171 18 18 LEU HD2 H 0.8900 0.02 . 172 18 18 LEU HG H 1.1000 0.02 1 173 18 18 LEU CA C 57.4400 0.15 1 174 18 18 LEU CB C 41.9100 0.15 1 175 18 18 LEU CD1 C 24.5500 0.15 2 176 18 18 LEU CD2 C 23.5000 0.15 2 177 18 18 LEU CG C 25.4000 0.15 1 178 18 18 LEU N N 117.1100 0.08 1 179 19 19 TRP H H 7.9500 0.02 1 180 19 19 TRP HA H 4.0800 0.02 1 181 19 19 TRP HB2 H 3.5300 0.02 . 182 19 19 TRP HB3 H 3.2900 0.02 2 183 19 19 TRP HD1 H 6.9400 0.02 1 184 19 19 TRP HE1 H 10.1100 0.02 1 185 19 19 TRP HE3 H 7.0400 0.02 1 186 19 19 TRP HZ2 H 7.2900 0.02 1 187 19 19 TRP HZ3 H 7.1200 0.02 1 188 19 19 TRP CA C 62.0000 0.15 1 189 19 19 TRP CB C 29.7200 0.15 1 190 19 19 TRP CD1 C 126.6300 0.15 1 191 19 19 TRP CE3 C 130.0500 0.15 1 192 19 19 TRP CZ2 C 114.3500 0.15 1 193 19 19 TRP CZ3 C 112.1100 0.15 1 194 19 19 TRP N N 122.5400 0.08 1 195 19 19 TRP NE1 N 130.6400 0.08 1 196 20 20 LEU H H 8.7900 0.02 1 197 20 20 LEU HA H 4.0650 0.02 1 198 20 20 LEU HB2 H 1.4150 0.02 . 199 20 20 LEU HB3 H 1.4150 0.02 . 200 20 20 LEU HD1 H 1.0890 0.02 . 201 20 20 LEU HD2 H 0.7760 0.02 . 202 20 20 LEU HG H 1.1000 0.02 1 203 20 20 LEU CA C 56.1800 0.15 1 204 20 20 LEU CB C 41.8800 0.15 1 205 20 20 LEU CD1 C 23.9500 0.15 2 206 20 20 LEU CD2 C 26.7600 0.15 2 207 20 20 LEU CG C 25.4000 0.15 1 208 20 20 LEU N N 118.2200 0.08 1 209 21 21 ASP H H 7.7670 0.02 1 210 21 21 ASP HA H 4.4300 0.02 1 211 21 21 ASP HB2 H 2.6910 0.02 . 212 21 21 ASP HB3 H 2.7830 0.02 2 213 21 21 ASP CA C 55.4300 0.15 1 214 21 21 ASP CB C 40.5100 0.15 1 215 21 21 ASP N N 117.8800 0.08 1 216 22 22 ASN H H 7.1300 0.02 1 217 22 22 ASN HA H 4.7850 0.02 1 218 22 22 ASN HB2 H 3.0870 0.02 . 219 22 22 ASN HB3 H 2.6100 0.02 2 220 22 22 ASN HD21 H 7.3200 0.02 2 221 22 22 ASN HD22 H 6.9200 0.02 2 222 22 22 ASN CA C 51.8600 0.15 1 223 22 22 ASN CB C 37.3700 0.15 1 224 22 22 ASN N N 117.9500 0.08 1 225 22 22 ASN ND2 N 110.5800 0.08 1 226 23 23 THR H H 8.2900 0.02 1 227 23 23 THR HA H 4.0450 0.02 1 228 23 23 THR HB H 4.3700 0.02 1 229 23 23 THR HG2 H 1.2800 0.02 . 230 23 23 THR CA C 63.5100 0.15 1 231 23 23 THR CB C 68.1200 0.15 1 232 23 23 THR CG2 C 21.6200 0.15 1 233 23 23 THR N N 117.3200 0.08 1 234 24 24 GLU H H 8.0250 0.02 1 235 24 24 GLU HA H 4.1000 0.02 1 236 24 24 GLU HB2 H 2.0500 0.02 . 237 24 24 GLU HB3 H 1.7600 0.02 2 238 24 24 GLU HG2 H 2.2500 0.02 . 239 24 24 GLU HG3 H 2.1300 0.02 2 240 24 24 GLU CA C 56.9300 0.15 1 241 24 24 GLU CB C 29.3000 0.15 1 242 24 24 GLU CG C 36.1000 0.15 1 243 24 24 GLU N N 119.2400 0.08 1 244 25 25 ASN H H 7.2500 0.02 1 245 25 25 ASN HA H 4.2900 0.02 1 246 25 25 ASN HB2 H 0.7100 0.02 . 247 25 25 ASN HB3 H 1.8000 0.02 2 248 25 25 ASN HD21 H 6.9100 0.02 2 249 25 25 ASN HD22 H 6.3960 0.02 2 250 25 25 ASN CA C 52.4600 0.15 1 251 25 25 ASN CB C 36.1400 0.15 1 252 25 25 ASN N N 118.2900 0.08 1 253 25 25 ASN ND2 N 114.5100 0.08 1 254 26 26 ASP H H 8.7200 0.02 1 255 26 26 ASP HA H 4.7400 0.02 1 256 26 26 ASP HB2 H 2.6800 0.02 . 257 26 26 ASP HB3 H 3.0520 0.02 2 258 26 26 ASP CA C 52.2500 0.15 1 259 26 26 ASP CB C 41.3600 0.15 1 260 26 26 ASP N N 122.3600 0.08 1 261 27 27 LEU H H 8.3200 0.02 1 262 27 27 LEU HA H 4.4900 0.02 1 263 27 27 LEU HB2 H 1.6200 0.02 . 264 27 27 LEU HB3 H 1.9700 0.02 2 265 27 27 LEU HD1 H 0.9000 0.02 . 266 27 27 LEU HD2 H 0.9100 0.02 . 267 27 27 LEU HG H 1.6800 0.02 1 268 27 27 LEU CA C 57.3700 0.15 1 269 27 27 LEU CB C 41.5600 0.15 1 270 27 27 LEU CD1 C 26.1100 0.15 2 271 27 27 LEU CD2 C 25.1800 0.15 2 272 27 27 LEU CG C 27.9500 0.15 1 273 27 27 LEU N N 126.7900 0.08 1 274 28 28 ASN H H 8.4700 0.02 1 275 28 28 ASN HA H 4.9600 0.02 1 276 28 28 ASN HB2 H 2.8600 0.02 . 277 28 28 ASN HB3 H 2.8900 0.02 2 278 28 28 ASN HD21 H 8.2200 0.02 2 279 28 28 ASN HD22 H 7.6970 0.02 2 280 28 28 ASN CA C 53.0300 0.15 1 281 28 28 ASN CB C 40.1000 0.15 1 282 28 28 ASN N N 113.7700 0.08 1 283 28 28 ASN ND2 N 118.9000 0.08 1 284 29 29 GLN H H 7.3200 0.02 1 285 29 29 GLN HA H 4.1640 0.02 1 286 29 29 GLN HB2 H 2.3650 0.02 . 287 29 29 GLN HB3 H 2.3650 0.02 . 288 29 29 GLN HE21 H 6.9880 0.02 2 289 29 29 GLN HE22 H 7.8730 0.02 2 290 29 29 GLN HG2 H 2.7220 0.02 . 291 29 29 GLN HG3 H 2.5320 0.02 2 292 29 29 GLN CA C 56.3700 0.15 1 293 29 29 GLN CB C 29.2600 0.15 1 294 29 29 GLN CG C 33.3000 0.15 1 295 29 29 GLN N N 120.9600 0.08 1 296 29 29 GLN NE2 N 113.2500 0.08 1 297 30 30 GLY H H 8.4900 0.02 1 298 30 30 GLY HA2 H 4.4900 0.02 . 299 30 30 GLY HA3 H 3.2800 0.02 2 300 30 30 GLY CA C 43.1330 0.15 1 301 30 30 GLY N N 111.1500 0.08 1 302 31 31 ASP H H 7.6600 0.02 1 303 31 31 ASP HA H 4.0600 0.02 1 304 31 31 ASP HB2 H 2.6900 0.02 . 305 31 31 ASP HB3 H 2.2900 0.02 2 306 31 31 ASP CA C 52.2900 0.15 1 307 31 31 ASP CB C 38.7300 0.15 1 308 31 31 ASP N N 120.8400 0.08 1 309 32 32 ASP H H 8.2100 0.02 1 310 32 32 ASP HA H 4.2300 0.02 1 311 32 32 ASP HB2 H 2.7000 0.02 . 312 32 32 ASP HB3 H 2.3400 0.02 2 313 32 32 ASP CA C 56.8500 0.15 1 314 32 32 ASP CB C 39.9000 0.15 1 315 32 32 ASP N N 116.4700 0.08 1 316 33 33 HIS H H 8.4100 0.02 1 317 33 33 HIS HA H 3.6900 0.02 1 318 33 33 HIS HB2 H 3.0700 0.02 . 319 33 33 HIS HB3 H 3.0700 0.02 . 320 33 33 HIS HD2 H 7.3300 0.02 1 321 33 33 HIS HE1 H 8.3300 0.02 1 322 33 33 HIS CA C 55.4700 0.15 1 323 33 33 HIS CB C 28.7900 0.15 1 324 33 33 HIS CD2 C 119.1000 0.15 1 325 33 33 HIS CE1 C 136.6900 0.15 1 326 33 33 HIS N N 115.3000 0.08 1 327 34 34 GLY H H 8.4200 0.02 1 328 34 34 GLY HA2 H 3.9200 0.02 . 329 34 34 GLY HA3 H 3.7400 0.02 2 330 34 34 GLY CA C 45.9500 0.15 1 331 34 34 GLY N N 110.2700 0.08 1 332 35 35 PHE H H 8.9800 0.02 1 333 35 35 PHE HA H 4.5600 0.02 1 334 35 35 PHE HB2 H 3.4900 0.02 . 335 35 35 PHE HB3 H 3.3100 0.02 2 336 35 35 PHE HD1 H 6.1600 0.02 3 337 35 35 PHE HD2 H 6.1600 0.02 3 338 35 35 PHE HE1 H 7.1720 0.02 3 339 35 35 PHE HE2 H 7.1720 0.02 3 340 35 35 PHE HZ H 6.8200 0.02 1 341 35 35 PHE CA C 58.3200 0.15 1 342 35 35 PHE CB C 37.6100 0.15 1 343 35 35 PHE CD1 C 130.7900 0.15 3 344 35 35 PHE CD2 C 130.7900 0.15 3 345 35 35 PHE CE1 C 130.9100 0.15 3 346 35 35 PHE CE2 C 130.9100 0.15 3 347 35 35 PHE CZ C 129.2200 0.15 1 348 35 35 PHE N N 122.8100 0.08 1 349 36 36 SER H H 9.5300 0.02 1 350 36 36 SER HA H 3.3300 0.02 1 351 36 36 SER HB2 H 4.6400 0.02 . 352 36 36 SER HB3 H 4.1600 0.02 2 353 36 36 SER HG H 5.9500 0.02 1 354 36 36 SER CA C 58.4000 0.15 1 355 36 36 SER CB C 63.0580 0.15 1 356 36 36 SER N N 124.8000 0.08 1 357 37 37 PRO HA H 4.2500 0.02 1 358 37 37 PRO HB2 H 2.5200 0.02 . 359 37 37 PRO HB3 H 1.6600 0.02 2 360 37 37 PRO HD2 H 3.0500 0.02 . 361 37 37 PRO HD3 H 3.1800 0.02 2 362 37 37 PRO HG2 H 1.9000 0.02 . 363 37 37 PRO HG3 H 1.9000 0.02 . 364 37 37 PRO CA C 67.5200 0.15 1 365 37 37 PRO CB C 31.8600 0.15 1 366 37 37 PRO CD C 51.2100 0.15 1 367 37 37 PRO CG C 27.9700 0.15 1 368 38 38 LEU H H 9.1400 0.02 1 369 38 38 LEU HA H 3.9600 0.02 1 370 38 38 LEU HB2 H 1.7300 0.02 . 371 38 38 LEU HB3 H 1.5000 0.02 2 372 38 38 LEU HD1 H 0.7100 0.02 . 373 38 38 LEU HD2 H 0.8000 0.02 . 374 38 38 LEU HG H 1.1300 0.02 1 375 38 38 LEU CA C 57.7400 0.15 1 376 38 38 LEU CB C 41.0860 0.15 1 377 38 38 LEU CD1 C 26.3000 0.15 2 378 38 38 LEU CD2 C 24.9300 0.15 2 379 38 38 LEU CG C 25.4000 0.15 1 380 38 38 LEU N N 116.6700 0.08 1 381 39 39 HIS H H 8.5700 0.02 1 382 39 39 HIS HA H 3.6500 0.02 1 383 39 39 HIS HB2 H 3.2600 0.02 . 384 39 39 HIS HB3 H 3.2600 0.02 . 385 39 39 HIS HD1 H 11.9300 0.02 1 386 39 39 HIS HD2 H 6.1800 0.02 1 387 39 39 HIS HE1 H 6.2500 0.02 1 388 39 39 HIS CA C 64.3500 0.15 1 389 39 39 HIS CB C 31.3700 0.15 1 390 39 39 HIS CD2 C 113.3400 0.15 1 391 39 39 HIS CE1 C 136.6900 0.15 1 392 39 39 HIS N N 118.4900 0.08 1 393 40 40 TRP H H 7.8800 0.02 1 394 40 40 TRP HA H 3.2400 0.02 1 395 40 40 TRP HB2 H 2.5100 0.02 . 396 40 40 TRP HB3 H 3.1900 0.02 2 397 40 40 TRP HD1 H 7.1450 0.02 1 398 40 40 TRP HE1 H 9.9700 0.02 1 399 40 40 TRP HE3 H 7.7100 0.02 1 400 40 40 TRP HH2 H 7.3000 0.02 1 401 40 40 TRP HZ2 H 6.9100 0.02 1 402 40 40 TRP HZ3 H 7.1200 0.02 1 403 40 40 TRP CA C 60.0500 0.15 1 404 40 40 TRP CB C 29.3000 0.15 1 405 40 40 TRP CD1 C 126.6300 0.15 1 406 40 40 TRP CZ2 C 114.7800 0.15 1 407 40 40 TRP N N 116.8200 0.08 1 408 40 40 TRP NE1 N 130.1400 0.08 1 409 41 41 ALA H H 8.6800 0.02 1 410 41 41 ALA HA H 4.0200 0.02 1 411 41 41 ALA HB H 1.4100 0.02 . 412 41 41 ALA CA C 54.6200 0.15 1 413 41 41 ALA CB C 18.8300 0.15 1 414 41 41 ALA N N 119.2300 0.08 1 415 42 42 CYS H H 8.1400 0.02 1 416 42 42 CYS HA H 4.1000 0.02 1 417 42 42 CYS HB2 H 2.5200 0.02 . 418 42 42 CYS HB3 H 3.1800 0.02 2 419 42 42 CYS CA C 63.7600 0.15 1 420 42 42 CYS CB C 27.5500 0.15 1 421 42 42 CYS N N 113.5700 0.08 1 422 43 43 ARG H H 8.4360 0.02 1 423 43 43 ARG HA H 4.2200 0.02 1 424 43 43 ARG HB2 H 1.9300 0.02 . 425 43 43 ARG HB3 H 2.1700 0.02 2 426 43 43 ARG HD2 H 3.0200 0.02 . 427 43 43 ARG HD3 H 3.1700 0.02 2 428 43 43 ARG HG2 H 1.3900 0.02 . 429 43 43 ARG HG3 H 1.3900 0.02 . 430 43 43 ARG CA C 59.1800 0.15 1 431 43 43 ARG CB C 32.6200 0.15 1 432 43 43 ARG CD C 42.7700 0.15 1 433 43 43 ARG CG C 26.1600 0.15 1 434 43 43 ARG N N 119.4700 0.08 1 435 44 44 GLU H H 7.6100 0.02 1 436 44 44 GLU HA H 4.9200 0.02 1 437 44 44 GLU HB2 H 1.8700 0.02 . 438 44 44 GLU HB3 H 1.8700 0.02 . 439 44 44 GLU HG2 H 2.6400 0.02 . 440 44 44 GLU CA C 53.3900 0.15 1 441 44 44 GLU CB C 27.6010 0.15 1 442 44 44 GLU CG C 35.1900 0.15 1 443 44 44 GLU N N 109.2800 0.08 1 444 45 45 GLY H H 7.0700 0.02 1 445 45 45 GLY HA2 H 2.8420 0.02 . 446 45 45 GLY HA3 H 2.8700 0.02 2 447 45 45 GLY CA C 44.7100 0.15 1 448 45 45 GLY N N 108.7300 0.08 1 449 46 46 ARG H H 8.4900 0.02 1 450 46 46 ARG HA H 4.5100 0.02 1 451 46 46 ARG HB2 H 1.9700 0.02 . 452 46 46 ARG HB3 H 1.9700 0.02 . 453 46 46 ARG HD2 H 2.8000 0.02 . 454 46 46 ARG HD3 H 2.8000 0.02 . 455 46 46 ARG HE H 6.5300 0.02 1 456 46 46 ARG HG2 H 1.5500 0.02 . 457 46 46 ARG HG3 H 1.5500 0.02 . 458 46 46 ARG CA C 51.2400 0.15 1 459 46 46 ARG CB C 32.5900 0.15 1 460 46 46 ARG CD C 41.8500 0.15 1 461 46 46 ARG CG C 26.1600 0.15 1 462 46 46 ARG N N 117.7800 0.08 1 463 46 46 ARG NE N 83.9300 0.08 1 464 47 47 SER H H 8.0500 0.02 1 465 47 47 SER HA H 3.6300 0.02 1 466 47 47 SER HB2 H 4.7900 0.02 . 467 47 47 SER HB3 H 4.7900 0.02 . 468 47 47 SER CA C 62.8800 0.15 1 469 47 47 SER CB C 62.0700 0.15 1 470 47 47 SER N N 120.4600 0.08 1 471 48 48 ALA H H 8.5200 0.02 1 472 48 48 ALA HA H 4.1900 0.02 1 473 48 48 ALA HB H 1.4300 0.02 . 474 48 48 ALA CA C 54.8700 0.15 1 475 48 48 ALA CB C 17.6800 0.15 1 476 48 48 ALA N N 124.2800 0.08 1 477 49 49 VAL H H 7.2300 0.02 1 478 49 49 VAL HA H 3.6300 0.02 1 479 49 49 VAL HB H 2.1500 0.02 1 480 49 49 VAL HG1 H 0.8500 0.02 . 481 49 49 VAL HG2 H 1.0000 0.02 . 482 49 49 VAL CA C 65.7200 0.15 1 483 49 49 VAL CB C 31.4200 0.15 1 484 49 49 VAL CG1 C 22.5500 0.15 2 485 49 49 VAL CG2 C 23.8400 0.15 2 486 49 49 VAL N N 118.2000 0.08 1 487 50 50 VAL H H 8.1700 0.02 1 488 50 50 VAL HA H 3.1800 0.02 1 489 50 50 VAL HB H 2.1300 0.02 1 490 50 50 VAL HG1 H 0.7500 0.02 . 491 50 50 VAL HG2 H 0.9800 0.02 . 492 50 50 VAL CA C 67.6500 0.15 1 493 50 50 VAL CB C 31.5100 0.15 1 494 50 50 VAL CG1 C 20.4600 0.15 2 495 50 50 VAL CG2 C 25.0500 0.15 2 496 50 50 VAL N N 119.8900 0.08 1 497 51 51 GLU H H 7.8700 0.02 1 498 51 51 GLU HA H 3.6600 0.02 1 499 51 51 GLU HB2 H 2.0400 0.02 . 500 51 51 GLU HB3 H 2.2000 0.02 2 501 51 51 GLU HG2 H 2.4100 0.02 . 502 51 51 GLU HG3 H 2.5800 0.02 2 503 51 51 GLU CA C 59.7300 0.15 1 504 51 51 GLU CB C 29.5010 0.15 1 505 51 51 GLU CG C 35.7300 0.15 1 506 51 51 GLU N N 116.5700 0.08 1 507 52 52 MET H H 7.3900 0.02 1 508 52 52 MET HA H 4.0000 0.02 1 509 52 52 MET HB2 H 2.2100 0.02 . 510 52 52 MET HB3 H 2.0000 0.02 2 511 52 52 MET HE H 1.6000 0.02 . 512 52 52 MET HG2 H 2.6000 0.02 . 513 52 52 MET HG3 H 2.4400 0.02 2 514 52 52 MET CA C 58.8400 0.15 1 515 52 52 MET CB C 33.5900 0.15 1 516 52 52 MET CE C 30.0000 0.15 1 517 52 52 MET CG C 30.5400 0.15 1 518 52 52 MET N N 116.9800 0.08 1 519 53 53 LEU H H 8.1100 0.02 1 520 53 53 LEU HA H 3.9500 0.02 1 521 53 53 LEU HB2 H 1.9800 0.02 . 522 53 53 LEU HB3 H 1.9800 0.02 . 523 53 53 LEU HD1 H 0.8600 0.02 . 524 53 53 LEU HD2 H 0.7500 0.02 . 525 53 53 LEU HG H 1.1000 0.02 1 526 53 53 LEU CA C 57.7000 0.15 1 527 53 53 LEU CB C 41.3600 0.15 1 528 53 53 LEU CD1 C 26.5500 0.15 2 529 53 53 LEU CD2 C 22.6200 0.15 2 530 53 53 LEU CG C 25.4000 0.15 1 531 53 53 LEU N N 117.9700 0.08 1 532 54 54 ILE H H 8.3400 0.02 1 533 54 54 ILE HA H 3.4600 0.02 1 534 54 54 ILE HB H 1.4500 0.02 1 535 54 54 ILE HD1 H 0.3820 0.02 . 536 54 54 ILE HG12 H 1.8600 0.02 . 537 54 54 ILE HG13 H 1.8600 0.02 . 538 54 54 ILE HG2 H 0.0400 0.02 . 539 54 54 ILE CA C 65.9000 0.15 1 540 54 54 ILE CB C 37.1800 0.15 1 541 54 54 ILE CD1 C 13.8600 0.15 1 542 54 54 ILE CG1 C 31.7700 0.15 1 543 54 54 ILE CG2 C 15.2200 0.15 1 544 54 54 ILE N N 118.6700 0.08 1 545 55 55 MET H H 8.3600 0.02 1 546 55 55 MET HA H 4.2500 0.02 1 547 55 55 MET HB2 H 2.1600 0.02 . 548 55 55 MET HB3 H 2.1600 0.02 . 549 55 55 MET HE H 1.6000 0.02 . 550 55 55 MET HG2 H 2.6250 0.02 . 551 55 55 MET HG3 H 2.7560 0.02 2 552 55 55 MET CA C 57.7000 0.15 1 553 55 55 MET CB C 31.7300 0.15 1 554 55 55 MET CG C 32.3000 0.15 1 555 55 55 MET N N 120.2900 0.08 1 556 56 56 ARG H H 7.3970 0.02 1 557 56 56 ARG HA H 4.4000 0.02 1 558 56 56 ARG HB2 H 2.1800 0.02 . 559 56 56 ARG HB3 H 1.8500 0.02 2 560 56 56 ARG HD2 H 3.2800 0.02 . 561 56 56 ARG HD3 H 3.2800 0.02 . 562 56 56 ARG HG2 H 1.6000 0.02 . 563 56 56 ARG HG3 H 1.8300 0.02 2 564 56 56 ARG CA C 54.2800 0.15 1 565 56 56 ARG CB C 29.0200 0.15 1 566 56 56 ARG CD C 41.7400 0.15 1 567 56 56 ARG CG C 28.6400 0.15 1 568 56 56 ARG N N 117.6800 0.08 1 569 57 57 GLY H H 7.7300 0.02 1 570 57 57 GLY HA2 H 4.3000 0.02 . 571 57 57 GLY HA3 H 3.7900 0.02 2 572 57 57 GLY CA C 45.0900 0.15 1 573 57 57 GLY N N 105.2600 0.08 1 574 58 58 ALA H H 8.0100 0.02 1 575 58 58 ALA HA H 3.9820 0.02 1 576 58 58 ALA HB H 1.1600 0.02 . 577 58 58 ALA CA C 53.0600 0.15 1 578 58 58 ALA CB C 18.8630 0.15 1 579 58 58 ALA N N 124.4200 0.08 1 580 59 59 ARG H H 8.6200 0.02 1 581 59 59 ARG HA H 4.1400 0.02 1 582 59 59 ARG HB2 H 1.6000 0.02 . 583 59 59 ARG HB3 H 1.7900 0.02 2 584 59 59 ARG HD2 H 3.1700 0.02 . 585 59 59 ARG HD3 H 3.2400 0.02 2 586 59 59 ARG HG2 H 1.5600 0.02 . 587 59 59 ARG HG3 H 1.5600 0.02 . 588 59 59 ARG CA C 56.5600 0.15 1 589 59 59 ARG CB C 30.1700 0.15 1 590 59 59 ARG CD C 43.5400 0.15 1 591 59 59 ARG CG C 26.1600 0.15 1 592 59 59 ARG N N 122.1300 0.08 1 593 60 60 ILE H H 7.9600 0.02 1 594 60 60 ILE HA H 3.7500 0.02 1 595 60 60 ILE HB H 1.9700 0.02 1 596 60 60 ILE HD1 H 0.7200 0.02 . 597 60 60 ILE HG12 H 1.8600 0.02 . 598 60 60 ILE HG13 H 1.8600 0.02 . 599 60 60 ILE HG2 H 0.8200 0.02 . 600 60 60 ILE CA C 61.1600 0.15 1 601 60 60 ILE CB C 38.5500 0.15 1 602 60 60 ILE CD1 C 12.0500 0.15 1 603 60 60 ILE CG1 C 31.7700 0.15 1 604 60 60 ILE CG2 C 17.7900 0.15 1 605 60 60 ILE N N 119.6300 0.08 1 606 61 61 ASN H H 8.2700 0.02 1 607 61 61 ASN HA H 5.0600 0.02 1 608 61 61 ASN HB2 H 1.8300 0.02 . 609 61 61 ASN HB3 H 1.8300 0.02 . 610 61 61 ASN HD21 H 7.6400 0.02 2 611 61 61 ASN HD22 H 6.6800 0.02 2 612 61 61 ASN CA C 51.7600 0.15 1 613 61 61 ASN CB C 37.9700 0.15 1 614 61 61 ASN N N 118.2200 0.08 1 615 61 61 ASN ND2 N 113.9900 0.08 1 616 62 62 VAL H H 6.5400 0.02 1 617 62 62 VAL HA H 4.2300 0.02 1 618 62 62 VAL HB H 2.2100 0.02 1 619 62 62 VAL HG1 H 0.8900 0.02 . 620 62 62 VAL HG2 H 0.9300 0.02 . 621 62 62 VAL CA C 60.3700 0.15 1 622 62 62 VAL CB C 33.2700 0.15 1 623 62 62 VAL CG1 C 18.3700 0.15 2 624 62 62 VAL CG2 C 22.2800 0.15 2 625 62 62 VAL N N 113.6500 0.08 1 626 63 63 MET H H 8.4400 0.02 1 627 63 63 MET HA H 5.0100 0.02 1 628 63 63 MET HB2 H 2.1700 0.02 . 629 63 63 MET HB3 H 2.4700 0.02 2 630 63 63 MET HE H 1.6000 0.02 . 631 63 63 MET CA C 54.4200 0.15 1 632 63 63 MET CB C 32.4900 0.15 1 633 63 63 MET CG C 30.5400 0.15 1 634 63 63 MET N N 119.6100 0.08 1 635 64 64 ASN H H 7.6800 0.02 1 636 64 64 ASN HA H 4.7800 0.02 1 637 64 64 ASN HB2 H 2.8200 0.02 . 638 64 64 ASN HB3 H 2.9100 0.02 2 639 64 64 ASN HD21 H 7.6300 0.02 2 640 64 64 ASN HD22 H 6.7000 0.02 2 641 64 64 ASN CA C 50.2700 0.15 1 642 64 64 ASN CB C 37.7100 0.15 1 643 64 64 ASN N N 119.8400 0.08 1 644 64 64 ASN ND2 N 113.4800 0.08 1 645 65 65 ARG H H 7.8240 0.02 1 646 65 65 ARG HA H 3.9400 0.02 1 647 65 65 ARG HB2 H 1.9100 0.02 . 648 65 65 ARG HB3 H 1.6300 0.02 2 649 65 65 ARG HD2 H 3.2300 0.02 . 650 65 65 ARG HD3 H 3.2300 0.02 . 651 65 65 ARG HG2 H 1.3400 0.02 . 652 65 65 ARG HG3 H 1.3400 0.02 . 653 65 65 ARG CA C 58.8700 0.15 1 654 65 65 ARG CB C 35.8000 0.15 1 655 65 65 ARG CD C 42.9100 0.15 1 656 65 65 ARG CG C 27.0300 0.15 1 657 65 65 ARG N N 116.6100 0.08 1 658 66 66 GLY H H 6.8900 0.02 1 659 66 66 GLY HA2 H 4.2800 0.02 . 660 66 66 GLY HA3 H 3.7100 0.02 2 661 66 66 GLY CA C 44.7100 0.15 1 662 66 66 GLY N N 102.6700 0.08 1 663 67 67 ASP H H 8.4300 0.02 1 664 67 67 ASP HA H 4.2560 0.02 1 665 67 67 ASP HB2 H 3.2400 0.02 . 666 67 67 ASP HB3 H 2.7000 0.02 2 667 67 67 ASP CA C 55.5200 0.15 1 668 67 67 ASP CB C 37.9100 0.15 1 669 67 67 ASP N N 117.7800 0.08 1 670 68 68 ASP H H 7.2900 0.02 1 671 68 68 ASP HA H 4.6800 0.02 1 672 68 68 ASP HB2 H 2.3300 0.02 . 673 68 68 ASP HB3 H 2.0800 0.02 2 674 68 68 ASP CA C 54.0900 0.15 1 675 68 68 ASP CB C 40.3000 0.15 1 676 68 68 ASP N N 116.0500 0.08 1 677 69 69 THR H H 9.7600 0.02 1 678 69 69 THR HA H 4.7800 0.02 1 679 69 69 THR HB H 4.9900 0.02 1 680 69 69 THR HG2 H 1.4100 0.02 . 681 69 69 THR CA C 59.6800 0.15 1 682 69 69 THR CB C 70.2700 0.15 1 683 69 69 THR CG2 C 22.2800 0.15 1 684 69 69 THR N N 119.5100 0.08 1 685 70 70 PRO HA H 4.3700 0.02 1 686 70 70 PRO HB2 H 2.4800 0.02 . 687 70 70 PRO HB3 H 1.7800 0.02 2 688 70 70 PRO HD2 H 3.9500 0.02 . 689 70 70 PRO HD3 H 3.7200 0.02 2 690 70 70 PRO HG2 H 2.2800 0.02 . 691 70 70 PRO HG3 H 2.0200 0.02 2 692 70 70 PRO CA C 66.4000 0.15 1 693 70 70 PRO CB C 32.1900 0.15 1 694 70 70 PRO CD C 50.8610 0.15 1 695 70 70 PRO CG C 27.2100 0.15 1 696 71 71 LEU H H 8.2600 0.02 1 697 71 71 LEU HA H 4.0700 0.02 1 698 71 71 LEU HB2 H 1.9700 0.02 . 699 71 71 LEU HB3 H 1.4000 0.02 2 700 71 71 LEU HD1 H 0.8400 0.02 . 701 71 71 LEU HD2 H 0.7900 0.02 . 702 71 71 LEU HG H 1.1000 0.02 1 703 71 71 LEU CA C 57.8500 0.15 1 704 71 71 LEU CB C 40.3200 0.15 1 705 71 71 LEU CD1 C 27.6400 0.15 2 706 71 71 LEU CD2 C 22.7400 0.15 2 707 71 71 LEU CG C 25.4000 0.15 1 708 71 71 LEU N N 116.0200 0.08 1 709 72 72 HIS H H 7.9300 0.02 1 710 72 72 HIS HA H 3.7700 0.02 1 711 72 72 HIS HB2 H 3.4000 0.02 . 712 72 72 HIS HB3 H 3.4000 0.02 . 713 72 72 HIS HD1 H 12.0100 0.02 1 714 72 72 HIS HD2 H 6.4200 0.02 1 715 72 72 HIS HE1 H 6.5800 0.02 1 716 72 72 HIS CA C 64.4200 0.15 1 717 72 72 HIS CB C 30.5300 0.15 1 718 72 72 HIS CD2 C 119.1000 0.15 1 719 72 72 HIS CE1 C 136.6900 0.15 1 720 72 72 HIS N N 117.6500 0.08 1 721 73 73 LEU H H 7.0400 0.02 1 722 73 73 LEU HA H 4.2240 0.02 1 723 73 73 LEU HB2 H 1.8600 0.02 . 724 73 73 LEU HB3 H 2.0600 0.02 2 725 73 73 LEU HD1 H 0.8960 0.02 . 726 73 73 LEU HD2 H 1.0900 0.02 . 727 73 73 LEU HG H 1.1000 0.02 1 728 73 73 LEU CA C 57.0800 0.15 1 729 73 73 LEU CB C 41.9400 0.15 1 730 73 73 LEU CD1 C 23.6000 0.15 2 731 73 73 LEU CD2 C 26.9100 0.15 2 732 73 73 LEU CG C 25.4000 0.15 1 733 73 73 LEU N N 114.6800 0.08 1 734 74 74 ALA H H 8.7070 0.02 1 735 74 74 ALA HA H 3.8600 0.02 1 736 74 74 ALA HB H 1.3900 0.02 . 737 74 74 ALA CA C 54.8500 0.15 1 738 74 74 ALA CB C 18.8800 0.15 1 739 74 74 ALA N N 120.6300 0.08 1 740 75 75 ALA H H 8.2290 0.02 1 741 75 75 ALA HA H 4.1700 0.02 1 742 75 75 ALA HB H 1.4400 0.02 . 743 75 75 ALA CA C 54.8000 0.15 1 744 75 75 ALA CB C 18.5000 0.15 1 745 75 75 ALA N N 117.3200 0.08 1 746 76 76 SER H H 8.2800 0.02 1 747 76 76 SER HA H 4.0800 0.02 1 748 76 76 SER HB2 H 3.4300 0.02 . 749 76 76 SER HB3 H 3.4300 0.02 . 750 76 76 SER CA C 60.1040 0.15 1 751 76 76 SER CB C 63.0580 0.15 1 752 76 76 SER N N 110.4300 0.08 1 753 77 77 HIS H H 7.8700 0.02 1 754 77 77 HIS HA H 4.1000 0.02 1 755 77 77 HIS HB2 H 3.2700 0.02 . 756 77 77 HIS HB3 H 2.9600 0.02 2 757 77 77 HIS HD2 H 7.3300 0.02 1 758 77 77 HIS HE1 H 8.3300 0.02 1 759 77 77 HIS CA C 56.1200 0.15 1 760 77 77 HIS CB C 29.1600 0.15 1 761 77 77 HIS CD2 C 119.1000 0.15 1 762 77 77 HIS CE1 C 136.6900 0.15 1 763 77 77 HIS N N 113.9000 0.08 1 764 78 78 GLY H H 7.3700 0.02 1 765 78 78 GLY HA2 H 3.2800 0.02 . 766 78 78 GLY HA3 H 3.7700 0.02 2 767 78 78 GLY CA C 46.9500 0.15 1 768 78 78 GLY N N 107.6100 0.08 1 769 79 79 HIS H H 8.1400 0.02 1 770 79 79 HIS HA H 5.2500 0.02 1 771 79 79 HIS HB2 H 3.2100 0.02 . 772 79 79 HIS HB3 H 3.2100 0.02 . 773 79 79 HIS HD2 H 7.3300 0.02 1 774 79 79 HIS HE1 H 8.3300 0.02 1 775 79 79 HIS CA C 53.7300 0.15 1 776 79 79 HIS CB C 29.0500 0.15 1 777 79 79 HIS CD2 C 119.1000 0.15 1 778 79 79 HIS CE1 C 136.6900 0.15 1 779 79 79 HIS N N 120.1500 0.08 1 780 80 80 ARG H H 8.3800 0.02 1 781 80 80 ARG HA H 3.6600 0.02 1 782 80 80 ARG HB2 H 1.9100 0.02 . 783 80 80 ARG HB3 H 1.9100 0.02 . 784 80 80 ARG HD2 H 1.4300 0.02 . 785 80 80 ARG HD3 H 1.4300 0.02 . 786 80 80 ARG HG2 H 1.6600 0.02 . 787 80 80 ARG HG3 H 1.6600 0.02 . 788 80 80 ARG CA C 60.8000 0.15 1 789 80 80 ARG CB C 30.4400 0.15 1 790 80 80 ARG CD C 44.6800 0.15 1 791 80 80 ARG CG C 26.1600 0.15 1 792 80 80 ARG N N 127.9800 0.08 1 793 81 81 ASP H H 9.0100 0.02 1 794 81 81 ASP HA H 4.3600 0.02 1 795 81 81 ASP HB2 H 2.7600 0.02 . 796 81 81 ASP HB3 H 2.6800 0.02 2 797 81 81 ASP CA C 56.5500 0.15 1 798 81 81 ASP CB C 38.9700 0.15 1 799 81 81 ASP N N 117.6500 0.08 1 800 82 82 ILE H H 7.3400 0.02 1 801 82 82 ILE HA H 3.6300 0.02 1 802 82 82 ILE HB H 2.0100 0.02 1 803 82 82 ILE HD1 H 0.7400 0.02 . 804 82 82 ILE HG12 H 1.6800 0.02 . 805 82 82 ILE HG13 H 1.6800 0.02 . 806 82 82 ILE HG2 H 1.0000 0.02 . 807 82 82 ILE CA C 63.8000 0.15 1 808 82 82 ILE CB C 37.1900 0.15 1 809 82 82 ILE CD1 C 13.0400 0.15 1 810 82 82 ILE CG1 C 29.2200 0.15 1 811 82 82 ILE CG2 C 20.2500 0.15 1 812 82 82 ILE N N 121.5900 0.08 1 813 83 83 VAL H H 8.1800 0.02 1 814 83 83 VAL HA H 3.3200 0.02 1 815 83 83 VAL HB H 2.1200 0.02 1 816 83 83 VAL HG1 H 0.9000 0.02 . 817 83 83 VAL HG2 H 0.9600 0.02 . 818 83 83 VAL CA C 67.5100 0.15 1 819 83 83 VAL CB C 30.8000 0.15 1 820 83 83 VAL CG1 C 22.5900 0.15 2 821 83 83 VAL CG2 C 22.9100 0.15 2 822 83 83 VAL N N 120.6400 0.08 1 823 84 84 GLN H H 7.8400 0.02 1 824 84 84 GLN HA H 3.8200 0.02 1 825 84 84 GLN HB2 H 2.1200 0.02 . 826 84 84 GLN HB3 H 2.2000 0.02 2 827 84 84 GLN HE21 H 7.7100 0.02 2 828 84 84 GLN HE22 H 6.8500 0.02 2 829 84 84 GLN HG2 H 2.3400 0.02 . 830 84 84 GLN HG3 H 2.5800 0.02 2 831 84 84 GLN CA C 59.2600 0.15 1 832 84 84 GLN CB C 27.7700 0.15 1 833 84 84 GLN CG C 33.5000 0.15 1 834 84 84 GLN N N 115.3100 0.08 1 835 84 84 GLN NE2 N 114.4100 0.08 1 836 85 85 LYS H H 7.8600 0.02 1 837 85 85 LYS HA H 4.1800 0.02 1 838 85 85 LYS HB2 H 1.8300 0.02 . 839 85 85 LYS HB3 H 1.9800 0.02 2 840 85 85 LYS HD2 H 1.5300 0.02 . 841 85 85 LYS HD3 H 0.7300 0.02 2 842 85 85 LYS HE2 H 2.9500 0.02 . 843 85 85 LYS HE3 H 2.9500 0.02 . 844 85 85 LYS HG2 H 1.5700 0.02 . 845 85 85 LYS HG3 H 1.5700 0.02 . 846 85 85 LYS CA C 58.1200 0.15 1 847 85 85 LYS CB C 31.5400 0.15 1 848 85 85 LYS CD C 28.3400 0.15 1 849 85 85 LYS CE C 41.1800 0.15 1 850 85 85 LYS CG C 24.0800 0.15 1 851 85 85 LYS N N 120.7000 0.08 1 852 86 86 LEU H H 8.5600 0.02 1 853 86 86 LEU HA H 3.9600 0.02 1 854 86 86 LEU HB2 H 1.1700 0.02 . 855 86 86 LEU HB3 H 1.1700 0.02 . 856 86 86 LEU HD1 H 0.7750 0.02 . 857 86 86 LEU HD2 H 1.0100 0.02 . 858 86 86 LEU HG H 1.1600 0.02 1 859 86 86 LEU CA C 57.7800 0.15 1 860 86 86 LEU CB C 40.5600 0.15 1 861 86 86 LEU CD1 C 21.6800 0.15 2 862 86 86 LEU CD2 C 20.2600 0.15 2 863 86 86 LEU CG C 25.7400 0.15 1 864 86 86 LEU N N 117.3200 0.08 1 865 87 87 LEU H H 8.2900 0.02 1 866 87 87 LEU HA H 4.0600 0.02 1 867 87 87 LEU HB2 H 1.6000 0.02 . 868 87 87 LEU HB3 H 1.7300 0.02 2 869 87 87 LEU HD1 H 0.7500 0.02 . 870 87 87 LEU HD2 H 0.8000 0.02 . 871 87 87 LEU HG H 1.1000 0.02 1 872 87 87 LEU CA C 57.7500 0.15 1 873 87 87 LEU CB C 40.2000 0.15 1 874 87 87 LEU CD1 C 24.8600 0.15 2 875 87 87 LEU CD2 C 22.7400 0.15 2 876 87 87 LEU CG C 24.8600 0.15 1 877 87 87 LEU N N 117.7800 0.08 1 878 88 88 GLN H H 8.2000 0.02 1 879 88 88 GLN HA H 4.0080 0.02 1 880 88 88 GLN HB2 H 2.2800 0.02 . 881 88 88 GLN HB3 H 2.2300 0.02 2 882 88 88 GLN HE21 H 7.2600 0.02 2 883 88 88 GLN HE22 H 6.8300 0.02 2 884 88 88 GLN HG2 H 2.4000 0.02 . 885 88 88 GLN HG3 H 2.0800 0.02 2 886 88 88 GLN CA C 58.2900 0.15 1 887 88 88 GLN CB C 27.3700 0.15 1 888 88 88 GLN CG C 33.1000 0.15 1 889 88 88 GLN N N 122.4300 0.08 1 890 88 88 GLN NE2 N 110.7300 0.08 1 891 89 89 TYR H H 7.5800 0.02 1 892 89 89 TYR HA H 4.3500 0.02 1 893 89 89 TYR HB2 H 3.4600 0.02 . 894 89 89 TYR HB3 H 2.5800 0.02 2 895 89 89 TYR HD1 H 6.7000 0.02 3 896 89 89 TYR HD2 H 6.7000 0.02 3 897 89 89 TYR HE1 H 7.3480 0.02 3 898 89 89 TYR HE2 H 7.3480 0.02 3 899 89 89 TYR CA C 58.7700 0.15 1 900 89 89 TYR CB C 36.7400 0.15 1 901 89 89 TYR CD1 C 132.4600 0.15 3 902 89 89 TYR CD2 C 132.4600 0.15 3 903 89 89 TYR CE1 C 117.1700 0.15 3 904 89 89 TYR CE2 C 117.1700 0.15 3 905 89 89 TYR N N 117.8500 0.08 1 906 90 90 LYS H H 7.6700 0.02 1 907 90 90 LYS HA H 3.9800 0.02 1 908 90 90 LYS HB2 H 1.9300 0.02 . 909 90 90 LYS HB3 H 1.9300 0.02 . 910 90 90 LYS HD2 H 2.1700 0.02 . 911 90 90 LYS HD3 H 1.9500 0.02 2 912 90 90 LYS HE2 H 3.0100 0.02 . 913 90 90 LYS HE3 H 3.0100 0.02 . 914 90 90 LYS HG2 H 1.2660 0.02 . 915 90 90 LYS HG3 H 1.3540 0.02 2 916 90 90 LYS CA C 56.5300 0.15 1 917 90 90 LYS CB C 32.1000 0.15 1 918 90 90 LYS CD C 27.1100 0.15 1 919 90 90 LYS CE C 42.0800 0.15 1 920 90 90 LYS CG C 24.8200 0.15 1 921 90 90 LYS N N 109.4300 0.08 1 922 91 91 ALA H H 7.9900 0.02 1 923 91 91 ALA HA H 4.1100 0.02 1 924 91 91 ALA HB H 1.1170 0.02 . 925 91 91 ALA CA C 52.5900 0.15 1 926 91 91 ALA CB C 20.0700 0.15 1 927 91 91 ALA N N 121.4000 0.08 1 928 92 92 ASP H H 8.7000 0.02 1 929 92 92 ASP HA H 4.5000 0.02 1 930 92 92 ASP HB2 H 2.6200 0.02 . 931 92 92 ASP HB3 H 2.8100 0.02 2 932 92 92 ASP CA C 53.6500 0.15 1 933 92 92 ASP CB C 39.4700 0.15 1 934 92 92 ASP N N 120.5600 0.08 1 935 93 93 ILE H H 8.1700 0.02 1 936 93 93 ILE HA H 3.7100 0.02 1 937 93 93 ILE HB H 1.6300 0.02 1 938 93 93 ILE HD1 H 0.8100 0.02 . 939 93 93 ILE HG12 H 1.4200 0.02 . 940 93 93 ILE HG13 H 1.4200 0.02 . 941 93 93 ILE HG2 H 0.8000 0.02 . 942 93 93 ILE CA C 63.3100 0.15 1 943 93 93 ILE CB C 39.0600 0.15 1 944 93 93 ILE CD1 C 14.4700 0.15 1 945 93 93 ILE CG1 C 29.5700 0.15 1 946 93 93 ILE CG2 C 16.2600 0.15 1 947 93 93 ILE N N 129.7400 0.08 1 948 94 94 ASN H H 7.9600 0.02 1 949 94 94 ASN HA H 5.0600 0.02 1 950 94 94 ASN HB2 H 2.9350 0.02 . 951 94 94 ASN HB3 H 2.6100 0.02 2 952 94 94 ASN HD21 H 7.9500 0.02 2 953 94 94 ASN HD22 H 6.8500 0.02 2 954 94 94 ASN CA C 51.2600 0.15 1 955 94 94 ASN CB C 39.2000 0.15 1 956 94 94 ASN N N 116.1900 0.08 1 957 94 94 ASN ND2 N 117.7600 0.08 1 958 95 95 ALA H H 6.5100 0.02 1 959 95 95 ALA HA H 4.1000 0.02 1 960 95 95 ALA HB H 1.4400 0.02 . 961 95 95 ALA CA C 53.0700 0.15 1 962 95 95 ALA CB C 19.4600 0.15 1 963 95 95 ALA N N 122.4000 0.08 1 964 96 96 VAL H H 8.2700 0.02 1 965 96 96 VAL HA H 4.8500 0.02 1 966 96 96 VAL HB H 2.0000 0.02 1 967 96 96 VAL HG1 H 0.0000 0.02 . 968 96 96 VAL HG2 H 1.1200 0.02 . 969 96 96 VAL CA C 59.0500 0.15 1 970 96 96 VAL CB C 34.6500 0.15 1 971 96 96 VAL CG1 C 22.3000 0.15 2 972 96 96 VAL CG2 C 19.6200 0.15 2 973 96 96 VAL N N 114.1400 0.08 1 974 97 97 ASN H H 8.3700 0.02 1 975 97 97 ASN HA H 5.0700 0.02 1 976 97 97 ASN HB2 H 2.7750 0.02 . 977 97 97 ASN HB3 H 2.6800 0.02 2 978 97 97 ASN HD21 H 7.6400 0.02 2 979 97 97 ASN HD22 H 6.8500 0.02 2 980 97 97 ASN CA C 50.2000 0.15 1 981 97 97 ASN CB C 38.4600 0.15 1 982 97 97 ASN N N 124.2800 0.08 1 983 97 97 ASN ND2 N 112.4800 0.08 1 984 98 98 GLU H H 7.6700 0.02 1 985 98 98 GLU HA H 4.0900 0.02 1 986 98 98 GLU HB2 H 2.1700 0.02 . 987 98 98 GLU HB3 H 2.1700 0.02 . 988 98 98 GLU HG2 H 2.7200 0.02 . 989 98 98 GLU HG3 H 1.9700 0.02 2 990 98 98 GLU CA C 58.9900 0.15 1 991 98 98 GLU CB C 28.5300 0.15 1 992 98 98 GLU CG C 33.6400 0.15 1 993 98 98 GLU N N 117.3900 0.08 1 994 99 99 HIS H H 7.3200 0.02 1 995 99 99 HIS HA H 4.3700 0.02 1 996 99 99 HIS HB2 H 3.4000 0.02 . 997 99 99 HIS HB3 H 3.4000 0.02 . 998 99 99 HIS HD2 H 7.3300 0.02 1 999 99 99 HIS HE1 H 8.3300 0.02 1 1000 99 99 HIS CA C 56.2900 0.15 1 1001 99 99 HIS CB C 33.4900 0.15 1 1002 99 99 HIS CD2 C 119.1000 0.15 1 1003 99 99 HIS CE1 C 136.6900 0.15 1 1004 99 99 HIS N N 115.4900 0.08 1 1005 100 100 GLY H H 8.6700 0.02 1 1006 100 100 GLY HA2 H 4.2700 0.02 . 1007 100 100 GLY HA3 H 3.7900 0.02 2 1008 100 100 GLY CA C 45.4400 0.15 1 1009 100 100 GLY N N 107.8700 0.08 1 1010 101 101 ASN H H 7.6000 0.02 1 1011 101 101 ASN HA H 5.0650 0.02 1 1012 101 101 ASN HB2 H 2.9000 0.02 . 1013 101 101 ASN HB3 H 2.8200 0.02 2 1014 101 101 ASN HD21 H 7.6500 0.02 2 1015 101 101 ASN HD22 H 6.7000 0.02 2 1016 101 101 ASN CA C 51.7660 0.15 1 1017 101 101 ASN CB C 37.7100 0.15 1 1018 101 101 ASN N N 115.7900 0.08 1 1019 101 101 ASN ND2 N 113.5200 0.08 1 1020 102 102 VAL H H 11.1200 0.02 1 1021 102 102 VAL HA H 5.0300 0.02 1 1022 102 102 VAL HB H 2.7400 0.02 1 1023 102 102 VAL HG1 H 1.4300 0.02 . 1024 102 102 VAL HG2 H 1.0860 0.02 . 1025 102 102 VAL CA C 61.2500 0.15 1 1026 102 102 VAL CB C 31.4900 0.15 1 1027 102 102 VAL CG1 C 21.3000 0.15 2 1028 102 102 VAL CG2 C 22.9500 0.15 2 1029 102 102 VAL N N 123.5400 0.08 1 1030 103 103 PRO HA H 4.3700 0.02 1 1031 103 103 PRO HB2 H 2.5100 0.02 . 1032 103 103 PRO HB3 H 1.8900 0.02 2 1033 103 103 PRO HD2 H 3.6800 0.02 . 1034 103 103 PRO HD3 H 3.6800 0.02 2 1035 103 103 PRO HG2 H 2.2800 0.02 . 1036 103 103 PRO HG3 H 2.0200 0.02 2 1037 103 103 PRO CA C 66.9600 0.15 1 1038 103 103 PRO CB C 27.5160 0.15 1 1039 103 103 PRO CD C 51.2100 0.15 1 1040 103 103 PRO CG C 27.9700 0.15 1 1041 104 104 LEU H H 9.3600 0.02 1 1042 104 104 LEU HA H 3.9600 0.02 1 1043 104 104 LEU HB2 H 1.8600 0.02 . 1044 104 104 LEU HB3 H 1.6500 0.02 2 1045 104 104 LEU HD1 H 0.9900 0.02 . 1046 104 104 LEU HD2 H 0.8200 0.02 . 1047 104 104 LEU HG H 0.9900 0.02 1 1048 104 104 LEU CA C 57.1900 0.15 1 1049 104 104 LEU CB C 40.7400 0.15 1 1050 104 104 LEU CD1 C 25.3300 0.15 2 1051 104 104 LEU CD2 C 23.0000 0.15 2 1052 104 104 LEU CG C 25.4000 0.15 1 1053 104 104 LEU N N 114.9500 0.08 1 1054 105 105 HIS H H 8.4200 0.02 1 1055 105 105 HIS HA H 3.7700 0.02 1 1056 105 105 HIS HB2 H 3.3500 0.02 . 1057 105 105 HIS HB3 H 3.2600 0.02 2 1058 105 105 HIS HD1 H 11.6900 0.02 1 1059 105 105 HIS HD2 H 7.3300 0.02 1 1060 105 105 HIS HE1 H 6.4600 0.02 1 1061 105 105 HIS CA C 63.7400 0.15 1 1062 105 105 HIS CB C 31.1700 0.15 1 1063 105 105 HIS CD2 C 119.1000 0.15 1 1064 105 105 HIS CE1 C 136.6900 0.15 1 1065 105 105 HIS N N 118.1200 0.08 1 1066 106 106 TYR H H 7.1700 0.02 1 1067 106 106 TYR HA H 3.6900 0.02 1 1068 106 106 TYR HB2 H 2.8700 0.02 . 1069 106 106 TYR HB3 H 3.2800 0.02 2 1070 106 106 TYR HD1 H 7.1600 0.02 3 1071 106 106 TYR HD2 H 7.1600 0.02 3 1072 106 106 TYR HE1 H 6.9000 0.02 3 1073 106 106 TYR HE2 H 6.9000 0.02 3 1074 106 106 TYR CA C 62.9400 0.15 1 1075 106 106 TYR CB C 37.5200 0.15 1 1076 106 106 TYR CD1 C 133.2700 0.15 3 1077 106 106 TYR CD2 C 133.2700 0.15 3 1078 106 106 TYR CE1 C 117.6100 0.15 3 1079 106 106 TYR CE2 C 117.6100 0.15 3 1080 106 106 TYR N N 114.6800 0.08 1 1081 107 107 ALA H H 8.0000 0.02 1 1082 107 107 ALA HA H 4.1800 0.02 1 1083 107 107 ALA HB H 1.4700 0.02 . 1084 107 107 ALA CA C 54.7400 0.15 1 1085 107 107 ALA CB C 17.9800 0.15 1 1086 107 107 ALA N N 120.1600 0.08 1 1087 108 108 CYS H H 7.9700 0.02 1 1088 108 108 CYS HA H 3.9700 0.02 1 1089 108 108 CYS HB2 H 2.2800 0.02 . 1090 108 108 CYS HB3 H 1.8500 0.02 2 1091 108 108 CYS CA C 64.0500 0.15 1 1092 108 108 CYS CB C 27.0400 0.15 1 1093 108 108 CYS N N 112.8900 0.08 1 1094 109 109 PHE H H 8.3600 0.02 1 1095 109 109 PHE HA H 4.1500 0.02 1 1096 109 109 PHE HB2 H 2.8700 0.02 . 1097 109 109 PHE HB3 H 2.5200 0.02 2 1098 109 109 PHE HD1 H 6.2200 0.02 3 1099 109 109 PHE HD2 H 6.2200 0.02 3 1100 109 109 PHE HE1 H 6.4900 0.02 3 1101 109 109 PHE HE2 H 6.4900 0.02 3 1102 109 109 PHE HZ H 6.8200 0.02 1 1103 109 109 PHE CA C 60.2200 0.15 1 1104 109 109 PHE CB C 39.8500 0.15 1 1105 109 109 PHE CD1 C 130.7900 0.15 3 1106 109 109 PHE CD2 C 130.7900 0.15 3 1107 109 109 PHE CE1 C 130.9100 0.15 3 1108 109 109 PHE CE2 C 130.9100 0.15 3 1109 109 109 PHE CZ C 129.2200 0.15 1 1110 109 109 PHE N N 121.2400 0.08 1 1111 110 110 TRP H H 8.1800 0.02 1 1112 110 110 TRP HA H 3.9200 0.02 1 1113 110 110 TRP HB2 H 3.2900 0.02 . 1114 110 110 TRP HB3 H 2.4900 0.02 2 1115 110 110 TRP HD1 H 7.3400 0.02 1 1116 110 110 TRP HE1 H 10.3600 0.02 1 1117 110 110 TRP HE3 H 7.2400 0.02 1 1118 110 110 TRP HZ2 H 7.4500 0.02 1 1119 110 110 TRP HZ3 H 7.1200 0.02 1 1120 110 110 TRP CA C 56.4700 0.15 1 1121 110 110 TRP CB C 29.3500 0.15 1 1122 110 110 TRP CD1 C 126.6300 0.15 1 1123 110 110 TRP CE3 C 124.2900 0.15 1 1124 110 110 TRP CZ2 C 114.2400 0.15 1 1125 110 110 TRP N N 115.2200 0.08 1 1126 110 110 TRP NE1 N 129.86 0.08 1 1127 111 111 GLY H H 7.6700 0.02 1 1128 111 111 GLY HA2 H 3.9300 0.02 . 1129 111 111 GLY HA3 H 3.7400 0.02 2 1130 111 111 GLY CA C 47.7300 0.15 1 1131 111 111 GLY N N 109.4300 0.08 1 1132 112 112 GLN H H 8.8400 0.02 1 1133 112 112 GLN HA H 5.1800 0.02 1 1134 112 112 GLN HB2 H 2.1200 0.02 . 1135 112 112 GLN HB3 H 2.0400 0.02 2 1136 112 112 GLN HE21 H 7.7100 0.02 2 1137 112 112 GLN HE22 H 6.8500 0.02 2 1138 112 112 GLN HG2 H 2.4400 0.02 . 1139 112 112 GLN HG3 H 2.4400 0.02 . 1140 112 112 GLN CA C 51.1600 0.15 1 1141 112 112 GLN CB C 29.7900 0.15 1 1142 112 112 GLN CG C 35.5100 0.15 1 1143 112 112 GLN N N 118.2500 0.08 1 1144 112 112 GLN NE2 N 114.4100 0.08 1 1145 113 113 ASP H H 7.7600 0.02 1 1146 113 113 ASP HA H 3.9800 0.02 1 1147 113 113 ASP HB2 H 2.6000 0.02 . 1148 113 113 ASP HB3 H 2.6000 0.02 . 1149 113 113 ASP CA C 58.5500 0.15 1 1150 113 113 ASP CB C 40.1300 0.15 1 1151 113 113 ASP N N 120.9000 0.08 1 1152 114 114 GLN H H 8.4580 0.02 1 1153 114 114 GLN HA H 4.0500 0.02 1 1154 114 114 GLN HB2 H 2.1300 0.02 . 1155 114 114 GLN HB3 H 1.8600 0.02 2 1156 114 114 GLN HE21 H 7.7200 0.02 2 1157 114 114 GLN HE22 H 7.0400 0.02 2 1158 114 114 GLN HG2 H 2.4000 0.02 . 1159 114 114 GLN HG3 H 2.3800 0.02 2 1160 114 114 GLN CA C 58.7800 0.15 1 1161 114 114 GLN CB C 27.8300 0.15 1 1162 114 114 GLN CG C 34.6600 0.15 1 1163 114 114 GLN N N 117.3700 0.08 1 1164 114 114 GLN NE2 N 114.7500 0.08 1 1165 115 115 VAL H H 7.6900 0.02 1 1166 115 115 VAL HA H 3.6800 0.02 1 1167 115 115 VAL HB H 1.8400 0.02 1 1168 115 115 VAL HG1 H 0.9800 0.02 . 1169 115 115 VAL HG2 H 0.9500 0.02 . 1170 115 115 VAL CA C 65.8600 0.15 1 1171 115 115 VAL CB C 31.0200 0.15 1 1172 115 115 VAL CG1 C 22.7200 0.15 2 1173 115 115 VAL CG2 C 25.3800 0.15 2 1174 115 115 VAL N N 118.8700 0.08 1 1175 116 116 ALA H H 8.8200 0.02 1 1176 116 116 ALA HA H 3.7400 0.02 1 1177 116 116 ALA HB H 1.4300 0.02 . 1178 116 116 ALA CA C 55.1500 0.15 1 1179 116 116 ALA CB C 18.5100 0.15 1 1180 116 116 ALA N N 120.6500 0.08 1 1181 117 117 GLU H H 8.2200 0.02 1 1182 117 117 GLU HA H 3.5400 0.02 1 1183 117 117 GLU HB2 H 2.0400 0.02 . 1184 117 117 GLU HB3 H 2.0400 0.02 . 1185 117 117 GLU HG2 H 2.2900 0.02 . 1186 117 117 GLU HG3 H 2.0400 0.02 2 1187 117 117 GLU CA C 60.3500 0.15 1 1188 117 117 GLU CB C 29.6700 0.15 1 1189 117 117 GLU CG C 37.2900 0.15 1 1190 117 117 GLU N N 117.4000 0.08 1 1191 118 118 ASP H H 8.4800 0.02 1 1192 118 118 ASP HA H 4.2200 0.02 1 1193 118 118 ASP HB2 H 3.0200 0.02 . 1194 118 118 ASP HB3 H 2.3500 0.02 2 1195 118 118 ASP CA C 56.7900 0.15 1 1196 118 118 ASP CB C 39.6900 0.15 1 1197 118 118 ASP N N 121.0100 0.08 1 1198 119 119 LEU H H 8.6100 0.02 1 1199 119 119 LEU HA H 3.9800 0.02 1 1200 119 119 LEU HB2 H 1.4600 0.02 . 1201 119 119 LEU HB3 H 1.9700 0.02 2 1202 119 119 LEU HD1 H 0.6600 0.02 . 1203 119 119 LEU HD2 H 0.8200 0.02 . 1204 119 119 LEU HG H 1.1000 0.02 1 1205 119 119 LEU CA C 58.1200 0.15 1 1206 119 119 LEU CB C 38.6500 0.15 1 1207 119 119 LEU CD1 C 23.1300 0.15 2 1208 119 119 LEU CD2 C 21.0900 0.15 2 1209 119 119 LEU N N 120.0500 0.08 1 1210 120 120 VAL H H 8.0800 0.02 1 1211 120 120 VAL HA H 3.7200 0.02 1 1212 120 120 VAL HB H 2.1200 0.02 1 1213 120 120 VAL HG1 H 1.0000 0.02 . 1214 120 120 VAL HG2 H 0.8600 0.02 . 1215 120 120 VAL CA C 66.9600 0.15 1 1216 120 120 VAL CB C 31.3200 0.15 1 1217 120 120 VAL CG1 C 22.9000 0.15 2 1218 120 120 VAL CG2 C 26.8500 0.15 2 1219 120 120 VAL N N 122.1500 0.08 1 1220 121 121 ALA H H 8.6950 0.02 1 1221 121 121 ALA HA H 4.1200 0.02 1 1222 121 121 ALA HB H 1.5150 0.02 . 1223 121 121 ALA CA C 54.4700 0.15 1 1224 121 121 ALA CB C 17.9200 0.15 1 1225 121 121 ALA N N 122.0900 0.08 1 1226 122 122 ASN H H 7.4100 0.02 1 1227 122 122 ASN HA H 4.7000 0.02 1 1228 122 122 ASN HB2 H 2.9800 0.02 . 1229 122 122 ASN HB3 H 2.5200 0.02 2 1230 122 122 ASN HD21 H 7.6400 0.02 2 1231 122 122 ASN HD22 H 6.8500 0.02 2 1232 122 122 ASN CA C 53.5500 0.15 1 1233 122 122 ASN CB C 40.9100 0.15 1 1234 122 122 ASN N N 114.4300 0.08 1 1235 122 122 ASN ND2 N 112.4800 0.08 1 1236 123 123 GLY H H 7.9800 0.02 1 1237 123 123 GLY HA2 H 4.3400 0.02 . 1238 123 123 GLY HA3 H 3.7900 0.02 2 1239 123 123 GLY CA C 44.9600 0.15 1 1240 123 123 GLY N N 105.9500 0.08 1 1241 124 124 ALA H H 8.2800 0.02 1 1242 124 124 ALA HA H 4.1030 0.02 1 1243 124 124 ALA HB H 1.1200 0.02 . 1244 124 124 ALA CA C 52.8200 0.15 1 1245 124 124 ALA CB C 19.5300 0.15 1 1246 124 124 ALA N N 125.2700 0.08 1 1247 125 125 LEU H H 8.0000 0.02 1 1248 125 125 LEU HA H 4.4000 0.02 1 1249 125 125 LEU HB2 H 1.6100 0.02 . 1250 125 125 LEU HB3 H 1.8000 0.02 2 1251 125 125 LEU HD1 H 0.6300 0.02 . 1252 125 125 LEU HD2 H 0.8900 0.02 . 1253 125 125 LEU HG H 1.1000 0.02 1 1254 125 125 LEU CA C 54.2300 0.15 1 1255 125 125 LEU CB C 41.8600 0.15 1 1256 125 125 LEU CD2 C 23.5900 0.15 2 1257 125 125 LEU N N 122.8700 0.08 1 1258 126 126 VAL H H 8.3100 0.02 1 1259 126 126 VAL HA H 4.0200 0.02 1 1260 126 126 VAL HB H 2.1900 0.02 1 1261 126 126 VAL HG1 H 0.8200 0.02 . 1262 126 126 VAL HG2 H 0.7950 0.02 . 1263 126 126 VAL CA C 61.9800 0.15 1 1264 126 126 VAL CB C 31.8600 0.15 1 1265 126 126 VAL CG1 C 21.5000 0.15 2 1266 126 126 VAL CG2 C 18.5000 0.15 2 1267 126 126 VAL N N 113.2800 0.08 1 1268 127 127 SER H H 7.6500 0.02 1 1269 127 127 SER HA H 5.0800 0.02 1 1270 127 127 SER HB2 H 3.7500 0.02 . 1271 127 127 SER HB3 H 3.8900 0.02 2 1272 127 127 SER CA C 57.0300 0.15 1 1273 127 127 SER CB C 64.0500 0.15 1 1274 127 127 SER N N 111.3900 0.08 1 1275 128 128 ILE H H 6.4000 0.02 1 1276 128 128 ILE HA H 4.2300 0.02 1 1277 128 128 ILE HB H 1.5600 0.02 1 1278 128 128 ILE HD1 H 1.0200 0.02 . 1279 128 128 ILE HG12 H 1.1200 0.02 . 1280 128 128 ILE HG13 H 1.5400 0.02 2 1281 128 128 ILE HG2 H 0.9000 0.02 . 1282 128 128 ILE CA C 60.4200 0.15 1 1283 128 128 ILE CB C 39.5700 0.15 1 1284 128 128 ILE CD1 C 16.8200 0.15 1 1285 128 128 ILE CG1 C 28.2700 0.15 1 1286 128 128 ILE CG2 C 114.1500 0.15 1 1287 128 128 ILE N N 119.2600 0.08 1 1288 129 129 CYS H H 8.4400 0.02 1 1289 129 129 CYS HA H 4.0800 0.02 1 1290 129 129 CYS HB2 H 2.3800 0.02 . 1291 129 129 CYS HB3 H 1.6600 0.02 2 1292 129 129 CYS CA C 60.3600 0.15 1 1293 129 129 CYS CB C 29.5000 0.15 1 1294 129 129 CYS N N 125.2800 0.08 1 1295 130 130 ASN H H 8.2400 0.02 1 1296 130 130 ASN HA H 4.6900 0.02 1 1297 130 130 ASN HB2 H 2.6300 0.02 . 1298 130 130 ASN HB3 H 2.7200 0.02 2 1299 130 130 ASN HD21 H 7.6400 0.02 2 1300 130 130 ASN HD22 H 6.8500 0.02 2 1301 130 130 ASN CA C 51.2100 0.15 1 1302 130 130 ASN CB C 38.2800 0.15 1 1303 130 130 ASN N N 119.7000 0.08 1 1304 130 130 ASN ND2 N 112.4800 0.08 1 1305 131 131 LYS H H 7.8100 0.02 1 1306 131 131 LYS HA H 4.7800 0.02 1 1307 131 131 LYS HB2 H 0.6500 0.02 . 1308 131 131 LYS HB3 H 0.3200 0.02 2 1309 131 131 LYS HD2 H 1.2980 0.02 . 1310 131 131 LYS HD3 H 1.2980 0.02 . 1311 131 131 LYS HE2 H 2.7200 0.02 . 1312 131 131 LYS HE3 H 2.7200 0.02 . 1313 131 131 LYS HG2 H 0.2300 0.02 . 1314 131 131 LYS HG3 H 0.4600 0.02 2 1315 131 131 LYS CA C 57.8300 0.15 1 1316 131 131 LYS CB C 32.2200 0.15 1 1317 131 131 LYS CD C 29.8300 0.15 1 1318 131 131 LYS CE C 41.7600 0.15 1 1319 131 131 LYS CG C 24.0600 0.15 1 1320 131 131 LYS N N 116.5100 0.08 1 1321 132 132 TYR H H 7.0700 0.02 1 1322 132 132 TYR HA H 4.4600 0.02 1 1323 132 132 TYR HB2 H 2.5500 0.02 . 1324 132 132 TYR HB3 H 2.7200 0.02 2 1325 132 132 TYR HD1 H 6.8900 0.02 3 1326 132 132 TYR HD2 H 6.8900 0.02 3 1327 132 132 TYR HE1 H 6.7800 0.02 3 1328 132 132 TYR HE2 H 6.7800 0.02 3 1329 132 132 TYR CA C 55.2100 0.15 1 1330 132 132 TYR CB C 38.2700 0.15 1 1331 132 132 TYR CD1 C 133.2700 0.15 3 1332 132 132 TYR CD2 C 133.2700 0.15 3 1333 132 132 TYR CE1 C 117.6100 0.15 3 1334 132 132 TYR CE2 C 117.6100 0.15 3 1335 132 132 TYR N N 118.4100 0.08 1 1336 133 133 GLY H H 7.9500 0.02 1 1337 133 133 GLY HA2 H 4.3200 0.02 . 1338 133 133 GLY HA3 H 3.7400 0.02 2 1339 133 133 GLY CA C 45.4700 0.15 1 1340 133 133 GLY N N 107.3200 0.08 1 1341 134 134 GLU H H 8.1460 0.02 1 1342 134 134 GLU HA H 4.5600 0.02 1 1343 134 134 GLU HB2 H 2.2000 0.02 . 1344 134 134 GLU HB3 H 2.2000 0.02 . 1345 134 134 GLU HG2 H 2.4200 0.02 . 1346 134 134 GLU HG3 H 2.4200 0.02 . 1347 134 134 GLU CA C 54.5800 0.15 1 1348 134 134 GLU CB C 30.2700 0.15 1 1349 134 134 GLU CG C 35.8200 0.15 1 1350 134 134 GLU N N 118.7600 0.08 1 1351 135 135 MET HA H 5.2000 0.02 1 1352 135 135 MET HB2 H 2.0700 0.02 . 1353 135 135 MET HB3 H 2.0700 0.02 . 1354 135 135 MET HE H 1.8100 0.02 . 1355 135 135 MET CA C 54.5200 0.15 1 1356 135 135 MET N N 130.0000 0.08 1 1357 136 136 PRO HA H 4.5000 0.02 1 1358 136 136 PRO HB2 H 2.5100 0.02 . 1359 136 136 PRO HB3 H 1.8900 0.02 2 1360 136 136 PRO HD2 H 4.4500 0.02 . 1361 136 136 PRO HD3 H 3.5000 0.02 2 1362 136 136 PRO HG2 H 2.2800 0.02 . 1363 136 136 PRO HG3 H 2.0200 0.02 2 1364 136 136 PRO CA C 66.2000 0.15 1 1365 136 136 PRO CB C 35.8200 0.15 1 1366 136 136 PRO CD C 51.2100 0.15 1 1367 136 136 PRO CG C 27.9700 0.15 1 1368 137 137 VAL H H 6.0400 0.02 1 1369 137 137 VAL HA H 3.9100 0.02 1 1370 137 137 VAL HB H 2.2750 0.02 1 1371 137 137 VAL HG1 H 0.8500 0.02 . 1372 137 137 VAL HG2 H 0.9600 0.02 . 1373 137 137 VAL CA C 62.9700 0.15 1 1374 137 137 VAL CB C 30.6700 0.15 1 1375 137 137 VAL CG1 C 17.2800 0.15 2 1376 137 137 VAL CG2 C 22.9200 0.15 2 1377 137 137 VAL N N 134.5900 0.08 1 1378 138 138 ASP H H 7.3400 0.02 1 1379 138 138 ASP HA H 4.5300 0.02 1 1380 138 138 ASP HB2 H 2.8600 0.02 . 1381 138 138 ASP HB3 H 2.9600 0.02 2 1382 138 138 ASP CA C 56.5400 0.15 1 1383 138 138 ASP CB C 40.1500 0.15 1 1384 138 138 ASP N N 120.0700 0.08 1 1385 139 139 LYS H H 7.3400 0.02 1 1386 139 139 LYS HA H 4.2600 0.02 1 1387 139 139 LYS HB2 H 1.6000 0.02 . 1388 139 139 LYS HB3 H 1.6000 0.02 . 1389 139 139 LYS HD2 H 1.6000 0.02 . 1390 139 139 LYS HD3 H 1.6000 0.02 . 1391 139 139 LYS HE2 H 2.8600 0.02 . 1392 139 139 LYS HE3 H 2.8600 0.02 . 1393 139 139 LYS HG2 H 1.5600 0.02 . 1394 139 139 LYS HG3 H 1.5600 0.02 . 1395 139 139 LYS CA C 51.9300 0.15 1 1396 139 139 LYS CB C 28.2500 0.15 1 1397 139 139 LYS CD C 28.2500 0.15 1 1398 139 139 LYS CE C 40.3000 0.15 1 1399 139 139 LYS N N 112.9900 0.08 1 1400 140 140 ALA H H 6.6500 0.02 1 1401 140 140 ALA HA H 4.3350 0.02 1 1402 140 140 ALA HB H 1.3400 0.02 . 1403 140 140 ALA CA C 49.5800 0.15 1 1404 140 140 ALA CB C 20.9900 0.15 1 1405 140 140 ALA N N 117.8100 0.08 1 1406 141 141 LYS H H 8.6900 0.02 1 1407 141 141 LYS HA H 4.3300 0.02 1 1408 141 141 LYS HB2 H 1.8200 0.02 . 1409 141 141 LYS HB3 H 1.8200 0.02 . 1410 141 141 LYS HD2 H 1.6100 0.02 . 1411 141 141 LYS HD3 H 1.6100 0.02 . 1412 141 141 LYS HE2 H 3.0600 0.02 . 1413 141 141 LYS HE3 H 3.0600 0.02 . 1414 141 141 LYS HG2 H 1.2400 0.02 . 1415 141 141 LYS HG3 H 1.2400 0.02 . 1416 141 141 LYS CA C 52.3400 0.15 1 1417 141 141 LYS CB C 33.3100 0.15 1 1418 141 141 LYS CE C 42.5600 0.15 1 1419 141 141 LYS N N 120.6900 0.08 1 1420 142 142 ALA H H 8.6700 0.02 1 1421 142 142 ALA HA H 4.0400 0.02 1 1422 142 142 ALA HB H 1.4700 0.02 . 1423 142 142 ALA CA C 56.5700 0.15 1 1424 142 142 ALA CB C 16.1600 0.15 1 1425 142 142 ALA N N 122.9100 0.08 1 1426 143 143 PRO HA H 4.3400 0.02 1 1427 143 143 PRO HB2 H 2.3000 0.02 . 1428 143 143 PRO HB3 H 1.8300 0.02 2 1429 143 143 PRO HD2 H 3.8330 0.02 . 1430 143 143 PRO HD3 H 3.5150 0.02 2 1431 143 143 PRO HG2 H 1.9200 0.02 . 1432 143 143 PRO HG3 H 2.0700 0.02 2 1433 143 143 PRO CA C 65.8000 0.15 1 1434 143 143 PRO CB C 32.3300 0.15 1 1435 143 143 PRO CD C 49.8800 0.15 1 1436 143 143 PRO CG C 27.7500 0.15 1 1437 144 144 LEU H H 7.0200 0.02 1 1438 144 144 LEU HA H 4.2700 0.02 1 1439 144 144 LEU HB2 H 1.4300 0.02 . 1440 144 144 LEU HB3 H 1.4300 0.02 . 1441 144 144 LEU HD1 H 0.9100 0.02 . 1442 144 144 LEU HD2 H 0.9700 0.02 . 1443 144 144 LEU HG H 1.1000 0.02 1 1444 144 144 LEU CA C 56.8700 0.15 1 1445 144 144 LEU CB C 40.5400 0.15 1 1446 144 144 LEU CD1 C 28.0200 0.15 2 1447 144 144 LEU CD2 C 22.4900 0.15 2 1448 144 144 LEU N N 119.3300 0.08 1 1449 145 145 ARG H H 8.3600 0.02 1 1450 145 145 ARG HA H 3.5500 0.02 1 1451 145 145 ARG HB2 H 1.7900 0.02 . 1452 145 145 ARG HB3 H 1.7900 0.02 . 1453 145 145 ARG HD2 H 3.1800 0.02 . 1454 145 145 ARG HD3 H 3.1800 0.02 . 1455 145 145 ARG HG2 H 1.3400 0.02 . 1456 145 145 ARG HG3 H 1.3400 0.02 . 1457 145 145 ARG CA C 60.0800 0.15 1 1458 145 145 ARG CB C 29.1200 0.15 1 1459 145 145 ARG CD C 43.0000 0.15 1 1460 145 145 ARG CG C 26.4500 0.15 1 1461 145 145 ARG N N 120.1300 0.08 1 1462 146 146 GLU H H 8.0900 0.02 1 1463 146 146 GLU HA H 4.0100 0.02 1 1464 146 146 GLU HB2 H 2.0100 0.02 . 1465 146 146 GLU HB3 H 2.0100 0.02 . 1466 146 146 GLU HG2 H 2.3200 0.02 . 1467 146 146 GLU HG3 H 2.3700 0.02 2 1468 146 146 GLU CA C 58.5300 0.15 1 1469 146 146 GLU CB C 28.8500 0.15 1 1470 146 146 GLU CG C 35.6900 0.15 1 1471 146 146 GLU N N 115.9600 0.08 1 1472 147 147 LEU H H 7.7000 0.02 1 1473 147 147 LEU HA H 4.1900 0.02 1 1474 147 147 LEU HB2 H 1.8100 0.02 . 1475 147 147 LEU HB3 H 1.8100 0.02 . 1476 147 147 LEU HD1 H 0.6200 0.02 . 1477 147 147 LEU HD2 H 0.8200 0.02 . 1478 147 147 LEU HG H 1.1000 0.02 1 1479 147 147 LEU CA C 58.0500 0.15 1 1480 147 147 LEU CB C 42.2100 0.15 1 1481 147 147 LEU CD1 C 27.8400 0.15 2 1482 147 147 LEU CD2 C 24.5900 0.15 2 1483 147 147 LEU N N 121.7800 0.08 1 1484 148 148 LEU H H 8.6800 0.02 1 1485 148 148 LEU HA H 3.9250 0.02 1 1486 148 148 LEU HB2 H 1.1000 0.02 . 1487 148 148 LEU HB3 H 1.4900 0.02 2 1488 148 148 LEU HD1 H 0.6000 0.02 . 1489 148 148 LEU HD2 H 0.9700 0.02 . 1490 148 148 LEU HG H 1.1000 0.02 1 1491 148 148 LEU CA C 57.2400 0.15 1 1492 148 148 LEU CB C 40.4100 0.15 1 1493 148 148 LEU CD1 C 19.6400 0.15 2 1494 148 148 LEU CD2 C 22.7200 0.15 2 1495 148 148 LEU CG C 25.4000 0.15 1 1496 148 148 LEU N N 117.1800 0.08 1 1497 149 149 ARG H H 8.2400 0.02 1 1498 149 149 ARG HA H 3.7400 0.02 1 1499 149 149 ARG HB2 H 1.9000 0.02 . 1500 149 149 ARG HB3 H 1.9000 0.02 . 1501 149 149 ARG HD2 H 3.0200 0.02 . 1502 149 149 ARG HD3 H 3.1700 0.02 2 1503 149 149 ARG HG2 H 1.3700 0.02 . 1504 149 149 ARG HG3 H 1.3700 0.02 . 1505 149 149 ARG CA C 60.3400 0.15 1 1506 149 149 ARG CB C 29.0000 0.15 1 1507 149 149 ARG CD C 42.3200 0.15 1 1508 149 149 ARG CG C 28.1700 0.15 1 1509 149 149 ARG N N 118.3000 0.08 1 1510 150 150 GLU H H 7.8600 0.02 1 1511 150 150 GLU HA H 4.0600 0.02 1 1512 150 150 GLU HB2 H 2.1700 0.02 . 1513 150 150 GLU HB3 H 2.1700 0.02 . 1514 150 150 GLU HG2 H 2.1900 0.02 . 1515 150 150 GLU HG3 H 2.4200 0.02 2 1516 150 150 GLU CA C 59.3000 0.15 1 1517 150 150 GLU CB C 29.0600 0.15 1 1518 150 150 GLU CG C 36.0500 0.15 1 1519 150 150 GLU N N 119.3300 0.08 1 1520 151 151 ARG H H 8.2200 0.02 1 1521 151 151 ARG HA H 3.9600 0.02 1 1522 151 151 ARG HB2 H 1.8100 0.02 . 1523 151 151 ARG HB3 H 1.8100 0.02 . 1524 151 151 ARG HD2 H 3.2400 0.02 . 1525 151 151 ARG HG2 H 1.5600 0.02 . 1526 151 151 ARG HG3 H 1.5600 0.02 . 1527 151 151 ARG CA C 57.7500 0.15 1 1528 151 151 ARG CB C 29.3600 0.15 1 1529 151 151 ARG CD C 44.9400 0.15 1 1530 151 151 ARG CG C 26.1600 0.15 1 1531 151 151 ARG N N 118.6600 0.08 1 1532 152 152 ALA H H 8.5700 0.02 1 1533 152 152 ALA HA H 3.7800 0.02 1 1534 152 152 ALA HB H 1.2900 0.02 . 1535 152 152 ALA CA C 54.8400 0.15 1 1536 152 152 ALA CB C 19.2400 0.15 1 1537 152 152 ALA N N 120.8800 0.08 1 1538 153 153 GLU H H 8.5300 0.02 1 1539 153 153 GLU HA H 4.0900 0.02 1 1540 153 153 GLU HB2 H 2.1700 0.02 . 1541 153 153 GLU HB3 H 2.1700 0.02 . 1542 153 153 GLU HG2 H 2.1900 0.02 . 1543 153 153 GLU HG3 H 2.3700 0.02 2 1544 153 153 GLU CA C 59.3500 0.15 1 1545 153 153 GLU CB C 29.2600 0.15 1 1546 153 153 GLU CG C 36.3000 0.15 1 1547 153 153 GLU N N 119.8900 0.08 1 1548 154 154 LYS H H 8.0600 0.02 1 1549 154 154 LYS HA H 4.0800 0.02 1 1550 154 154 LYS HB2 H 1.9700 0.02 . 1551 154 154 LYS HB3 H 1.9700 0.02 . 1552 154 154 LYS HD2 H 1.6200 0.02 . 1553 154 154 LYS HD3 H 1.6200 0.02 . 1554 154 154 LYS HE2 H 2.9600 0.02 . 1555 154 154 LYS HE3 H 2.9600 0.02 . 1556 154 154 LYS HG2 H 1.6500 0.02 . 1557 154 154 LYS HG3 H 1.6500 0.02 . 1558 154 154 LYS CA C 58.6800 0.15 1 1559 154 154 LYS CB C 31.7000 0.15 1 1560 154 154 LYS CD C 28.1600 0.15 1 1561 154 154 LYS CE C 41.7500 0.15 1 1562 154 154 LYS CG C 25.3000 0.15 1 1563 154 154 LYS N N 120.9000 0.08 1 1564 155 155 MET H H 7.6200 0.02 1 1565 155 155 MET HA H 4.4700 0.02 1 1566 155 155 MET HB2 H 2.3500 0.02 . 1567 155 155 MET HB3 H 2.1500 0.02 2 1568 155 155 MET HE H 1.9700 0.02 . 1569 155 155 MET HG2 H 2.7100 0.02 . 1570 155 155 MET HG3 H 2.7100 0.02 . 1571 155 155 MET CA C 55.4900 0.15 1 1572 155 155 MET CB C 32.7200 0.15 1 1573 155 155 MET CG C 31.1500 0.15 1 1574 155 155 MET N N 115.7600 0.08 1 1575 156 156 GLY H H 7.8500 0.02 1 1576 156 156 GLY HA2 H 4.2500 0.02 . 1577 156 156 GLY HA3 H 3.7400 0.02 2 1578 156 156 GLY CA C 45.1100 0.15 1 1579 156 156 GLY N N 107.8100 0.08 1 1580 157 157 GLN H H 8.0600 0.02 1 1581 157 157 GLN HA H 4.1100 0.02 1 1582 157 157 GLN HB2 H 2.1900 0.02 . 1583 157 157 GLN HB3 H 2.1900 0.02 . 1584 157 157 GLN HE21 H 7.5300 0.02 2 1585 157 157 GLN HE22 H 6.7100 0.02 2 1586 157 157 GLN HG2 H 2.5700 0.02 . 1587 157 157 GLN HG3 H 2.3400 0.02 2 1588 157 157 GLN CA C 56.7100 0.15 1 1589 157 157 GLN CB C 28.5100 0.15 1 1590 157 157 GLN CG C 33.6100 0.15 1 1591 157 157 GLN N N 119.0400 0.08 1 1592 157 157 GLN NE2 N 110.8100 0.08 1 1593 158 158 ASN H H 8.6200 0.02 1 1594 158 158 ASN HA H 4.3200 0.02 1 1595 158 158 ASN HB2 H 3.0900 0.02 . 1596 158 158 ASN HB3 H 2.8500 0.02 2 1597 158 158 ASN HD21 H 7.6400 0.02 2 1598 158 158 ASN HD22 H 6.8500 0.02 2 1599 158 158 ASN CA C 52.2500 0.15 1 1600 158 158 ASN CB C 38.6800 0.15 1 1601 158 158 ASN N N 120.3800 0.08 1 1602 158 158 ASN ND2 N 112.4800 0.08 1 1603 159 159 LEU H H 8.6600 0.02 1 1604 159 159 LEU HA H 4.3400 0.02 1 1605 159 159 LEU HB2 H 1.5800 0.02 . 1606 159 159 LEU HB3 H 1.5800 0.02 . 1607 159 159 LEU HD1 H 0.7400 0.02 . 1608 159 159 LEU HD2 H 0.7350 0.02 . 1609 159 159 LEU HG H 1.1000 0.02 1 1610 159 159 LEU CA C 54.6300 0.15 1 1611 159 159 LEU CB C 41.8800 0.15 1 1612 159 159 LEU CD1 C 22.7700 0.15 2 1613 159 159 LEU CD2 C 24.3500 0.15 2 1614 159 159 LEU CG C 25.4000 0.15 1 1615 159 159 LEU N N 124.7300 0.08 1 1616 160 160 ASN H H 8.1800 0.02 1 1617 160 160 ASN HA H 4.4300 0.02 1 1618 160 160 ASN HB2 H 2.7500 0.02 . 1619 160 160 ASN HB3 H 2.6400 0.02 2 1620 160 160 ASN HD21 H 7.6400 0.02 2 1621 160 160 ASN HD22 H 6.8500 0.02 2 1622 160 160 ASN CA C 53.3800 0.15 1 1623 160 160 ASN CB C 38.3600 0.15 1 1624 160 160 ASN N N 119.4800 0.08 1 1625 160 160 ASN ND2 N 112.4800 0.08 1 1626 161 161 ARG H H 8.2800 0.02 1 1627 161 161 ARG HA H 4.2400 0.02 1 1628 161 161 ARG HB2 H 1.6900 0.02 . 1629 161 161 ARG HB3 H 1.6900 0.02 . 1630 161 161 ARG HD2 H 3.1900 0.02 . 1631 161 161 ARG HD3 H 3.1900 0.02 . 1632 161 161 ARG HG2 H 1.5600 0.02 . 1633 161 161 ARG HG3 H 1.5600 0.02 . 1634 161 161 ARG CA C 57.0800 0.15 1 1635 161 161 ARG CB C 31.2600 0.15 1 1636 161 161 ARG CD C 42.9300 0.15 1 1637 161 161 ARG CG C 27.5100 0.15 1 1638 161 161 ARG N N 120.6800 0.08 1 1639 162 162 ILE H H 8.3000 0.02 1 1640 162 162 ILE HA H 4.6000 0.02 1 1641 162 162 ILE HB H 1.9500 0.02 1 1642 162 162 ILE HD1 H 0.8900 0.02 . 1643 162 162 ILE HG12 H 1.8600 0.02 . 1644 162 162 ILE HG13 H 1.8600 0.02 . 1645 162 162 ILE HG2 H 1.2400 0.02 . 1646 162 162 ILE CA C 58.0500 0.15 1 1647 162 162 ILE CB C 38.9900 0.15 1 1648 162 162 ILE CD1 C 16.4800 0.15 1 1649 162 162 ILE CG1 C 31.7700 0.15 1 1650 162 162 ILE CG2 C 17.4900 0.15 1 1651 162 162 ILE N N 127.2600 0.08 1 1652 163 163 PRO HA H 4.3300 0.02 1 1653 163 163 PRO HB2 H 2.3000 0.02 . 1654 163 163 PRO HB3 H 1.8300 0.02 2 1655 163 163 PRO HD3 H 3.6800 0.02 2 1656 163 163 PRO HG2 H 1.6100 0.02 . 1657 163 163 PRO HG3 H 1.4100 0.02 2 1658 163 163 PRO CA C 62.5400 0.15 1 1659 163 163 PRO CB C 32.3300 0.15 1 1660 163 163 PRO CD C 51.2100 0.15 1 1661 163 163 PRO CG C 26.9500 0.15 1 1662 164 164 TYR H H 8.5600 0.02 1 1663 164 164 TYR HA H 4.2500 0.02 1 1664 164 164 TYR HB2 H 2.9900 0.02 . 1665 164 164 TYR HB3 H 2.5900 0.02 2 1666 164 164 TYR HD1 H 7.1700 0.02 3 1667 164 164 TYR HD2 H 7.1700 0.02 3 1668 164 164 TYR HE1 H 7.0700 0.02 3 1669 164 164 TYR HE2 H 7.0700 0.02 3 1670 164 164 TYR CA C 59.0700 0.15 1 1671 164 164 TYR CB C 38.2800 0.15 1 1672 164 164 TYR CD1 C 133.2700 0.15 3 1673 164 164 TYR CD2 C 133.2700 0.15 3 1674 164 164 TYR CE1 C 117.6100 0.15 3 1675 164 164 TYR CE2 C 117.6100 0.15 3 1676 164 164 TYR N N 123.3800 0.08 1 1677 165 165 LYS H H 7.8300 0.02 1 1678 165 165 LYS HA H 3.9000 0.02 1 1679 165 165 LYS HB2 H 1.5400 0.02 . 1680 165 165 LYS HB3 H 1.5400 0.02 . 1681 165 165 LYS HD2 H 1.6600 0.02 . 1682 165 165 LYS HD3 H 1.6600 0.02 . 1683 165 165 LYS HE2 H 3.0500 0.02 . 1684 165 165 LYS HE3 H 2.6800 0.02 2 1685 165 165 LYS HG2 H 0.9300 0.02 . 1686 165 165 LYS HG3 H 0.9300 0.02 . 1687 165 165 LYS CA C 56.0700 0.15 1 1688 165 165 LYS CB C 32.3500 0.15 1 1689 165 165 LYS CD C 28.7400 0.15 1 1690 165 165 LYS CE C 41.2800 0.15 1 1691 165 165 LYS CG C 24.0100 0.15 1 1692 165 165 LYS N N 125.8900 0.08 1 1693 166 166 ASP H H 7.9100 0.02 1 1694 166 166 ASP HA H 3.9000 0.02 1 1695 166 166 ASP HB2 H 2.6700 0.02 . 1696 166 166 ASP HB3 H 2.6000 0.02 2 1697 166 166 ASP CA C 54.0600 0.15 1 1698 166 166 ASP CB C 41.3500 0.15 1 1699 166 166 ASP N N 121.8500 0.08 1 1700 167 167 THR H H 8.0200 0.02 1 1701 167 167 THR HA H 4.0700 0.02 1 1702 167 167 THR HB H 4.0500 0.02 1 1703 167 167 THR HG2 H 1.0250 0.02 . 1704 167 167 THR CA C 61.7200 0.15 1 1705 167 167 THR CB C 69.0900 0.15 1 1706 167 167 THR CG2 C 22.4200 0.15 1 1707 167 167 THR N N 114.1100 0.08 1 1708 168 168 PHE H H 8.1000 0.02 1 1709 168 168 PHE HA H 4.5200 0.02 1 1710 168 168 PHE HB2 H 3.0400 0.02 . 1711 168 168 PHE HB3 H 3.0800 0.02 2 1712 168 168 PHE HD1 H 7.1700 0.02 3 1713 168 168 PHE HD2 H 7.1700 0.02 3 1714 168 168 PHE HE1 H 6.9200 0.02 3 1715 168 168 PHE HE2 H 6.9200 0.02 3 1716 168 168 PHE HZ H 6.8200 0.02 1 1717 168 168 PHE CA C 57.8600 0.15 1 1718 168 168 PHE CB C 38.9900 0.15 1 1719 168 168 PHE CD1 C 130.7900 0.15 3 1720 168 168 PHE CD2 C 130.7900 0.15 3 1721 168 168 PHE CE1 C 130.9100 0.15 3 1722 168 168 PHE CE2 C 130.9100 0.15 3 1723 168 168 PHE CZ C 129.2200 0.15 1 1724 168 168 PHE N N 121.8100 0.08 1 1725 169 169 TRP H H 7.8800 0.02 1 1726 169 169 TRP HA H 4.5200 0.02 1 1727 169 169 TRP HB2 H 3.2400 0.02 . 1728 169 169 TRP HB3 H 3.1600 0.02 2 1729 169 169 TRP HD1 H 7.2300 0.02 1 1730 169 169 TRP HE1 H 10.1800 0.02 1 1731 169 169 TRP HE3 H 7.1000 0.02 1 1732 169 169 TRP HH2 H 7.3500 0.02 1 1733 169 169 TRP HZ2 H 7.4700 0.02 1 1734 169 169 TRP HZ3 H 7.1200 0.02 1 1735 169 169 TRP CA C 57.4200 0.15 1 1736 169 169 TRP CB C 29.4100 0.15 1 1737 169 169 TRP CD1 C 126.6300 0.15 1 1738 169 169 TRP CE3 C 124.2900 0.15 1 1739 169 169 TRP CZ2 C 114.2400 0.15 1 1740 169 169 TRP N N 122.5100 0.08 1 1741 169 169 TRP NE1 N 129.8000 0.08 1 1742 170 170 LYS H H 7.8480 0.02 1 1743 170 170 LYS HA H 4.1000 0.02 1 1744 170 170 LYS HB2 H 1.4700 0.02 . 1745 170 170 LYS HB3 H 1.6800 0.02 2 1746 170 170 LYS HD2 H 1.1500 0.02 . 1747 170 170 LYS HD3 H 1.1500 0.02 . 1748 170 170 LYS HE2 H 2.8900 0.02 . 1749 170 170 LYS HE3 H 2.8900 0.02 . 1750 170 170 LYS HG2 H 1.5600 0.02 . 1751 170 170 LYS HG3 H 1.5600 0.02 . 1752 170 170 LYS CA C 55.7200 0.15 1 1753 170 170 LYS CB C 32.9300 0.15 1 1754 170 170 LYS CD C 28.0400 0.15 1 1755 170 170 LYS CE C 41.4700 0.15 1 1756 170 170 LYS CG C 23.4400 0.15 1 1757 170 170 LYS N N 124.9900 0.08 1 1758 171 171 GLY H H 6.8900 0.02 1 1759 171 171 GLY HA2 H 3.5100 0.02 . 1760 171 171 GLY HA3 H 3.4000 0.02 2 1761 171 171 GLY CA C 45.9500 0.15 1 1762 171 171 GLY N N 114.9900 0.08 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' 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 PINCH _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 1 201 1 MET H H 8.2400 0.02 1 2 201 1 MET HA H 4.9200 0.02 1 3 201 1 MET HB2 H 1.1900 0.02 . 4 201 1 MET HB3 H 1.1900 0.02 . 5 201 1 MET CA C 49.9800 0.15 1 6 201 1 MET CB C 17.1400 0.15 1 7 201 1 MET N N 125.1900 0.08 1 8 202 2 ALA H H 7.3100 0.02 1 9 202 2 ALA HA H 4.9200 0.02 1 10 202 2 ALA HB H 1.1900 0.02 . 11 202 2 ALA CA C 55.0610 0.15 1 12 202 2 ALA CB C 17.7710 0.15 1 13 202 2 ALA N N 120.6200 0.08 1 14 203 3 ASN H H 8.4300 0.02 1 15 203 3 ASN HA H 4.8100 0.02 1 16 203 3 ASN HB2 H 2.9700 0.02 . 17 203 3 ASN HB3 H 2.9200 0.02 2 18 203 3 ASN HD21 H 7.6400 0.02 2 19 203 3 ASN HD22 H 6.8500 0.02 2 20 203 3 ASN CA C 55.1700 0.15 1 21 203 3 ASN CB C 37.7320 0.15 1 22 203 3 ASN N N 118.0800 0.08 1 23 203 3 ASN ND2 N 112.4800 0.08 1 24 204 4 ALA H H 8.1700 0.02 1 25 204 4 ALA HA H 4.9200 0.02 1 26 204 4 ALA HB H 1.1900 0.02 . 27 204 4 ALA CA C 53.8800 0.15 1 28 204 4 ALA CB C 17.7710 0.15 1 29 204 4 ALA N N 126.7600 0.08 1 30 205 5 LEU H H 8.3200 0.02 1 31 205 5 LEU HA H 3.8600 0.02 1 32 205 5 LEU HB2 H 1.1000 0.02 . 33 205 5 LEU HB3 H 1.4900 0.02 2 34 205 5 LEU HD1 H 0.7000 0.02 . 35 205 5 LEU HD2 H 0.6600 0.02 . 36 205 5 LEU HG H 1.1000 0.02 1 37 205 5 LEU CA C 55.3600 0.15 1 38 205 5 LEU CB C 42.1160 0.15 1 39 205 5 LEU CD1 C 26.9100 0.15 2 40 205 5 LEU CD2 C 22.6200 0.15 2 41 205 5 LEU CG C 25.4000 0.15 1 42 205 5 LEU N N 123.9500 0.08 1 43 206 6 ALA H H 8.0860 0.02 1 44 206 6 ALA HA H 4.3200 0.02 1 45 206 6 ALA HB H 1.4800 0.02 . 46 206 6 ALA CA C 53.4530 0.15 1 47 206 6 ALA CB C 18.8540 0.15 1 48 206 6 ALA N N 125.3700 0.08 1 49 207 7 SER H H 8.1500 0.02 1 50 207 7 SER HA H 4.5300 0.02 1 51 207 7 SER HB2 H 3.9400 0.02 . 52 207 7 SER HB3 H 3.9400 0.02 . 53 207 7 SER CA C 57.7100 0.15 1 54 207 7 SER CB C 63.6400 0.15 1 55 207 7 SER N N 116.1300 0.08 1 56 208 8 ALA H H 8.2800 0.02 1 57 208 8 ALA HA H 4.4900 0.02 1 58 208 8 ALA HB H 1.4700 0.02 . 59 208 8 ALA CA C 52.3600 0.15 1 60 208 8 ALA CB C 19.8100 0.15 1 61 208 8 ALA N N 128.7000 0.08 1 62 209 9 THR H H 8.0600 0.02 1 63 209 9 THR HA H 4.3600 0.02 1 64 209 9 THR HB H 3.5800 0.02 1 65 209 9 THR HG2 H 0.9000 0.02 . 66 209 9 THR CA C 59.3000 0.15 1 67 209 9 THR CB C 72.8000 0.15 1 68 209 9 THR CG2 C 21.7900 0.15 1 69 209 9 THR N N 113.6000 0.08 1 70 210 10 CYS H H 8.0860 0.02 1 71 210 10 CYS HA H 4.3400 0.02 1 72 210 10 CYS HB2 H 1.8900 0.02 . 73 210 10 CYS HB3 H 3.0800 0.02 2 74 210 10 CYS CA C 56.7600 0.15 1 75 210 10 CYS CB C 30.8400 0.15 1 76 210 10 CYS N N 125.3700 0.08 1 77 211 11 GLU H H 9.3300 0.02 1 78 211 11 GLU HA H 3.9500 0.02 1 79 211 11 GLU HB2 H 1.3800 0.02 . 80 211 11 GLU HB3 H 1.8200 0.02 2 81 211 11 GLU HG2 H 2.2800 0.02 . 82 211 11 GLU HG3 H 2.3500 0.02 2 83 211 11 GLU CA C 58.0400 0.15 1 84 211 11 GLU CB C 29.0800 0.15 1 85 211 11 GLU CG C 35.2300 0.15 1 86 211 11 GLU N N 133.6600 0.08 1 87 212 12 ARG H H 8.6200 0.02 1 88 212 12 ARG HA H 4.6400 0.02 1 89 212 12 ARG HB2 H 2.1300 0.02 . 90 212 12 ARG HB3 H 1.6800 0.02 2 91 212 12 ARG HD2 H 3.2700 0.02 . 92 212 12 ARG HD3 H 3.2700 0.02 . 93 212 12 ARG HG2 H 1.6600 0.02 . 94 212 12 ARG HG3 H 1.6600 0.02 . 95 212 12 ARG CA C 58.4600 0.15 1 96 212 12 ARG CB C 31.6500 0.15 1 97 212 12 ARG CD C 43.2700 0.15 1 98 212 12 ARG CG C 27.2200 0.15 1 99 212 12 ARG N N 120.9300 0.08 1 100 213 13 CYS H H 8.2100 0.02 1 101 213 13 CYS HA H 4.8500 0.02 1 102 213 13 CYS HB2 H 2.7500 0.02 . 103 213 13 CYS HB3 H 3.2600 0.02 2 104 213 13 CYS CA C 58.8300 0.15 1 105 213 13 CYS CB C 31.2400 0.15 1 106 213 13 CYS N N 118.6000 0.08 1 107 214 14 LYS H H 8.1500 0.02 1 108 214 14 LYS HA H 4.2000 0.02 1 109 214 14 LYS HB2 H 2.1200 0.02 . 110 214 14 LYS HB3 H 2.2900 0.02 2 111 214 14 LYS HD2 H 1.5900 0.02 . 112 214 14 LYS HD3 H 1.6600 0.02 2 113 214 14 LYS HE2 H 3.0800 0.02 . 114 214 14 LYS HE3 H 3.0100 0.02 2 115 214 14 LYS HG2 H 1.2200 0.02 . 116 214 14 LYS HG3 H 1.5200 0.02 2 117 214 14 LYS CA C 56.8600 0.15 1 118 214 14 LYS CB C 28.5500 0.15 1 119 214 14 LYS CD C 28.0800 0.15 1 120 214 14 LYS CE C 42.5900 0.15 1 121 214 14 LYS CG C 24.8900 0.15 1 122 214 14 LYS N N 120.4700 0.08 1 123 215 15 GLY H H 8.8000 0.02 1 124 215 15 GLY HA2 H 3.8600 0.02 . 125 215 15 GLY HA3 H 4.3700 0.02 2 126 215 15 GLY CA C 43.4600 0.15 1 127 215 15 GLY N N 112.2400 0.08 1 128 216 16 GLY H H 8.2700 0.02 1 129 216 16 GLY HA2 H 3.7800 0.02 . 130 216 16 GLY HA3 H 4.2500 0.02 2 131 216 16 GLY CA C 43.6700 0.15 1 132 216 16 GLY N N 108.2500 0.08 1 133 217 17 PHE H H 8.7900 0.02 1 134 217 17 PHE HA H 5.1100 0.02 1 135 217 17 PHE HB2 H 3.0800 0.02 . 136 217 17 PHE HB3 H 2.7100 0.02 2 137 217 17 PHE HD1 H 6.9100 0.02 3 138 217 17 PHE HD2 H 6.9100 0.02 3 139 217 17 PHE HE1 H 6.5100 0.02 3 140 217 17 PHE HE2 H 6.5100 0.02 3 141 217 17 PHE HZ H 6.3000 0.02 1 142 217 17 PHE CA C 56.7500 0.15 1 143 217 17 PHE CB C 41.3400 0.15 1 144 217 17 PHE CD1 C 131.6500 0.15 3 145 217 17 PHE CD2 C 131.6500 0.15 3 146 217 17 PHE CE1 C 129.4800 0.15 3 147 217 17 PHE CE2 C 129.4800 0.15 3 148 217 17 PHE CZ C 127.3000 0.15 1 149 217 17 PHE N N 121.2200 0.08 1 150 218 18 ALA H H 9.9800 0.02 1 151 218 18 ALA HA H 4.7800 0.02 1 152 218 18 ALA HB H 1.5400 0.02 . 153 218 18 ALA CA C 50.3200 0.15 1 154 218 18 ALA CB C 17.6700 0.15 1 155 218 18 ALA N N 131.9100 0.08 1 156 219 19 PRO HA H 4.3400 0.02 1 157 219 19 PRO HB2 H 2.3900 0.02 . 158 219 19 PRO HB3 H 1.9300 0.02 2 159 219 19 PRO HD2 H 3.7300 0.02 . 160 219 19 PRO HD3 H 3.9200 0.02 2 161 219 19 PRO HG2 H 2.0800 0.02 . 162 219 19 PRO HG3 H 2.2100 0.02 2 163 219 19 PRO CA C 64.9600 0.15 1 164 219 19 PRO CB C 31.4700 0.15 1 165 219 19 PRO CD C 50.1700 0.15 1 166 219 19 PRO CG C 27.6200 0.15 1 167 220 20 ALA H H 8.5100 0.02 1 168 220 20 ALA HA H 4.3400 0.02 1 169 220 20 ALA HB H 1.5100 0.02 . 170 220 20 ALA CA C 52.6800 0.15 1 171 220 20 ALA CB C 18.1500 0.15 1 172 220 20 ALA N N 121.7100 0.08 1 173 221 21 GLU H H 7.7500 0.02 1 174 221 21 GLU HA H 4.3100 0.02 1 175 221 21 GLU HB2 H 2.1500 0.02 . 176 221 21 GLU HB3 H 2.4000 0.02 2 177 221 21 GLU HG2 H 2.4600 0.02 . 178 221 21 GLU HG3 H 2.6500 0.02 2 179 221 21 GLU CA C 56.6000 0.15 1 180 221 21 GLU CB C 31.3500 0.15 1 181 221 21 GLU CG C 36.6500 0.15 1 182 221 21 GLU N N 123.3500 0.08 1 183 222 22 LYS H H 8.7400 0.02 1 184 222 22 LYS HA H 4.2300 0.02 1 185 222 22 LYS HB2 H 1.8300 0.02 . 186 222 22 LYS HB3 H 1.8300 0.02 . 187 222 22 LYS HD2 H 1.5900 0.02 . 188 222 22 LYS HD3 H 1.6900 0.02 2 189 222 22 LYS HE2 H 3.0200 0.02 . 190 222 22 LYS HE3 H 3.0600 0.02 2 191 222 22 LYS HG2 H 1.3300 0.02 . 192 222 22 LYS HG3 H 1.4900 0.02 2 193 222 22 LYS CA C 56.8100 0.15 1 194 222 22 LYS CB C 31.7500 0.15 1 195 222 22 LYS CD C 28.0600 0.15 1 196 222 22 LYS CE C 41.9700 0.15 1 197 222 22 LYS CG C 23.8400 0.15 1 198 222 22 LYS N N 128.0800 0.08 1 199 223 23 ILE H H 8.1400 0.02 1 200 223 23 ILE HA H 4.2100 0.02 1 201 223 23 ILE HB H 1.3100 0.02 1 202 223 23 ILE HD1 H 0.2000 0.02 . 203 223 23 ILE HG12 H -0.2400 0.02 . 204 223 23 ILE HG13 H 1.1300 0.02 2 205 223 23 ILE HG2 H 0.1700 0.02 . 206 223 23 ILE CA C 60.3200 0.15 1 207 223 23 ILE CB C 40.1400 0.15 1 208 223 23 ILE CD1 C 18.3700 0.15 1 209 223 23 ILE CG1 C 26.1900 0.15 1 210 223 23 ILE CG2 C 13.8700 0.15 1 211 223 23 ILE N N 127.3800 0.08 1 212 224 24 VAL H H 8.9700 0.02 1 213 224 24 VAL HA H 3.9900 0.02 1 214 224 24 VAL HB H 1.8600 0.02 1 215 224 24 VAL HG1 H 0.3500 0.02 . 216 224 24 VAL HG2 H 0.9400 0.02 . 217 224 24 VAL CA C 61.9500 0.15 1 218 224 24 VAL CB C 33.2800 0.15 1 219 224 24 VAL CG1 C 19.8600 0.15 2 220 224 24 VAL CG2 C 21.1100 0.15 2 221 224 24 VAL N N 131.2100 0.08 1 222 225 25 ASN H H 8.5200 0.02 1 223 225 25 ASN HA H 5.3300 0.02 1 224 225 25 ASN HB2 H 2.8300 0.02 . 225 225 25 ASN HB3 H 2.3400 0.02 2 226 225 25 ASN HD21 H 7.2700 0.02 2 227 225 25 ASN HD22 H 6.7600 0.02 2 228 225 25 ASN CA C 51.0500 0.15 1 229 225 25 ASN CB C 39.8200 0.15 1 230 225 25 ASN N N 128.2000 0.08 1 231 225 25 ASN ND2 N 113.1900 0.08 1 232 226 26 SER H H 9.1600 0.02 1 233 226 26 SER HA H 4.8300 0.02 1 234 226 26 SER HB2 H 3.9200 0.02 . 235 226 26 SER HB3 H 3.6200 0.02 2 236 226 26 SER CA C 55.9500 0.15 1 237 226 26 SER CB C 63.2900 0.15 1 238 226 26 SER N N 122.6400 0.08 1 239 227 27 ASN H H 9.3700 0.02 1 240 227 27 ASN HA H 4.4400 0.02 1 241 227 27 ASN HB2 H 2.8900 0.02 . 242 227 27 ASN HB3 H 3.2100 0.02 2 243 227 27 ASN HD21 H 7.7600 0.02 2 244 227 27 ASN HD22 H 7.0700 0.02 2 245 227 27 ASN CA C 54.2300 0.15 1 246 227 27 ASN CB C 37.7800 0.15 1 247 227 27 ASN N N 127.9700 0.08 1 248 227 27 ASN ND2 N 116.1200 0.08 1 249 228 28 GLY H H 8.4300 0.02 1 250 228 28 GLY HA2 H 3.6400 0.02 . 251 228 28 GLY HA3 H 4.3200 0.02 2 252 228 28 GLY CA C 45.3000 0.15 1 253 228 28 GLY N N 107.7500 0.08 1 254 229 29 GLU H H 7.8700 0.02 1 255 229 29 GLU HA H 4.3450 0.02 1 256 229 29 GLU HB2 H 1.6700 0.02 . 257 229 29 GLU HB3 H 2.6100 0.02 2 258 229 29 GLU HG2 H 2.2800 0.02 . 259 229 29 GLU HG3 H 2.4300 0.02 2 260 229 29 GLU CA C 54.6900 0.15 1 261 229 29 GLU CB C 31.8700 0.15 1 262 229 29 GLU CG C 35.2500 0.15 1 263 229 29 GLU N N 123.8600 0.08 1 264 230 30 LEU H H 8.4400 0.02 1 265 230 30 LEU HA H 5.2300 0.02 1 266 230 30 LEU HB2 H 1.0600 0.02 . 267 230 30 LEU HB3 H 1.8300 0.02 2 268 230 30 LEU HD1 H 0.5600 0.02 . 269 230 30 LEU HD2 H 0.7840 0.02 . 270 230 30 LEU HG H 1.6600 0.02 1 271 230 30 LEU CA C 53.0700 0.15 1 272 230 30 LEU CB C 42.6100 0.15 1 273 230 30 LEU CD1 C 21.9300 0.15 2 274 230 30 LEU CD2 C 25.6300 0.15 2 275 230 30 LEU CG C 26.8000 0.15 1 276 230 30 LEU N N 124.2100 0.08 1 277 231 31 TYR H H 9.1200 0.02 1 278 231 31 TYR HA H 6.1200 0.02 1 279 231 31 TYR HB2 H 3.4000 0.02 . 280 231 31 TYR HB3 H 2.5100 0.02 2 281 231 31 TYR HD1 H 6.9600 0.02 3 282 231 31 TYR HD2 H 6.9600 0.02 3 283 231 31 TYR HE1 H 6.5200 0.02 3 284 231 31 TYR HE2 H 6.5200 0.02 3 285 231 31 TYR CA C 56.3300 0.15 1 286 231 31 TYR CB C 43.6920 0.15 1 287 231 31 TYR CD1 C 133.1300 0.15 3 288 231 31 TYR CD2 C 133.1300 0.15 3 289 231 31 TYR CE1 C 118.2900 0.15 3 290 231 31 TYR CE2 C 118.2900 0.15 3 291 231 31 TYR N N 118.6700 0.08 1 292 232 32 HIS H H 8.4500 0.02 1 293 232 32 HIS HA H 5.0100 0.02 1 294 232 32 HIS HB2 H 3.4000 0.02 . 295 232 32 HIS HB3 H 3.4000 0.02 . 296 232 32 HIS HD2 H 6.8700 0.02 1 297 232 32 HIS HE1 H 6.9500 0.02 1 298 232 32 HIS HE2 H 11.2300 0.02 1 299 232 32 HIS CA C 59.0900 0.15 1 300 232 32 HIS CB C 30.6500 0.15 1 301 232 32 HIS CD2 C 119.1000 0.15 1 302 232 32 HIS CE1 C 136.6900 0.15 1 303 232 32 HIS N N 121.6700 0.08 1 304 233 33 GLU H H 10.1700 0.02 1 305 233 33 GLU HA H 4.0600 0.02 1 306 233 33 GLU HB2 H 2.1700 0.02 . 307 233 33 GLU HB3 H 2.1700 0.02 . 308 233 33 GLU HG2 H 2.2000 0.02 . 309 233 33 GLU HG3 H 2.4200 0.02 2 310 233 33 GLU CA C 61.0900 0.15 1 311 233 33 GLU CB C 29.9700 0.15 1 312 233 33 GLU CG C 37.1300 0.15 1 313 233 33 GLU N N 129.1300 0.08 1 314 234 34 GLN H H 9.1000 0.02 1 315 234 34 GLN HA H 4.2600 0.02 1 316 234 34 GLN HB2 H 2.1400 0.02 . 317 234 34 GLN HB3 H 2.2200 0.02 2 318 234 34 GLN HE21 H 7.4800 0.02 2 319 234 34 GLN HE22 H 6.9600 0.02 2 320 234 34 GLN HG2 H 2.5500 0.02 . 321 234 34 GLN HG3 H 2.5500 0.02 . 322 234 34 GLN CA C 57.0200 0.15 1 323 234 34 GLN CB C 27.2400 0.15 1 324 234 34 GLN CG C 33.6900 0.15 1 325 234 34 GLN N N 115.9600 0.08 1 326 234 34 GLN NE2 N 114.9200 0.08 1 327 235 35 CYS H H 7.8300 0.02 1 328 235 35 CYS HA H 4.4800 0.02 1 329 235 35 CYS HB2 H 3.6100 0.02 . 330 235 35 CYS HB3 H 3.7500 0.02 2 331 235 35 CYS CA C 60.1000 0.15 1 332 235 35 CYS CB C 32.5000 0.15 1 333 235 35 CYS N N 118.1030 0.08 1 334 236 36 PHE H H 7.3800 0.02 1 335 236 36 PHE HA H 4.4300 0.02 1 336 236 36 PHE HB2 H 2.4200 0.02 . 337 236 36 PHE HB3 H 3.2800 0.02 2 338 236 36 PHE HD1 H 6.9500 0.02 3 339 236 36 PHE HD2 H 6.9500 0.02 3 340 236 36 PHE HE1 H 6.5200 0.02 3 341 236 36 PHE HE2 H 6.5200 0.02 3 342 236 36 PHE HZ H 6.6700 0.02 1 343 236 36 PHE CA C 56.3300 0.15 1 344 236 36 PHE CB C 36.2000 0.15 1 345 236 36 PHE CD1 C 131.4100 0.15 3 346 236 36 PHE CD2 C 131.4100 0.15 3 347 236 36 PHE N N 128.9000 0.08 1 348 237 37 VAL H H 6.6500 0.02 1 349 237 37 VAL HA H 3.3100 0.02 1 350 237 37 VAL HB H 1.1800 0.02 1 351 237 37 VAL HG1 H 0.3600 0.02 . 352 237 37 VAL HG2 H 0.4400 0.02 . 353 237 37 VAL CA C 57.0200 0.15 1 354 237 37 VAL CB C 36.7100 0.15 1 355 237 37 VAL CG1 C 21.2800 0.15 2 356 237 37 VAL CG2 C 16.9200 0.15 2 357 237 37 VAL N N 113.7300 0.08 1 358 238 38 CYS H H 7.3900 0.02 1 359 238 38 CYS HA H 4.2700 0.02 1 360 238 38 CYS HB2 H 3.4500 0.02 . 361 238 38 CYS HB3 H 2.7200 0.02 2 362 238 38 CYS CA C 59.0600 0.15 1 363 238 38 CYS CB C 31.2500 0.15 1 364 238 38 CYS N N 124.2100 0.08 1 365 239 39 ALA H H 9.5200 0.02 1 366 239 39 ALA HA H 4.4400 0.02 1 367 239 39 ALA HB H 1.8100 0.02 . 368 239 39 ALA CA C 54.5700 0.15 1 369 239 39 ALA CB C 19.6200 0.15 1 370 239 39 ALA N N 133.9300 0.08 1 371 240 40 GLN H H 9.7100 0.02 1 372 240 40 GLN HA H 4.4100 0.02 1 373 240 40 GLN HB2 H 1.5200 0.02 . 374 240 40 GLN HB3 H 1.8400 0.02 2 375 240 40 GLN HE21 H 7.4500 0.02 2 376 240 40 GLN HE22 H 6.7000 0.02 2 377 240 40 GLN HG2 H 2.2600 0.02 . 378 240 40 GLN HG3 H 2.3300 0.02 2 379 240 40 GLN CA C 57.1400 0.15 1 380 240 40 GLN CB C 29.5200 0.15 1 381 240 40 GLN CG C 32.6400 0.15 1 382 240 40 GLN N N 123.4700 0.08 1 383 240 40 GLN NE2 N 113.7100 0.08 1 384 241 41 CYS H H 8.0900 0.02 1 385 241 41 CYS HA H 4.8700 0.02 1 386 241 41 CYS HB2 H 3.2600 0.02 . 387 241 41 CYS HB3 H 3.2600 0.02 . 388 241 41 CYS CA C 58.2600 0.15 1 389 241 41 CYS CB C 29.5600 0.15 1 390 241 41 CYS N N 121.1700 0.08 1 391 242 42 PHE H H 7.9200 0.02 1 392 242 42 PHE HA H 4.3100 0.02 1 393 242 42 PHE HB2 H 3.5000 0.02 . 394 242 42 PHE HB3 H 3.4600 0.02 2 395 242 42 PHE HD1 H 6.4000 0.02 3 396 242 42 PHE HD2 H 6.4000 0.02 3 397 242 42 PHE HE1 H 6.8600 0.02 3 398 242 42 PHE HE2 H 6.8600 0.02 3 399 242 42 PHE CA C 53.0900 0.15 1 400 242 42 PHE CB C 35.5900 0.15 1 401 242 42 PHE CD1 C 130.7900 0.15 3 402 242 42 PHE CD2 C 130.7900 0.15 3 403 242 42 PHE N N 120.3300 0.08 1 404 243 43 GLN H H 7.6300 0.02 1 405 243 43 GLN HA H 4.3400 0.02 1 406 243 43 GLN HB2 H 2.2800 0.02 . 407 243 43 GLN HB3 H 2.2800 0.02 . 408 243 43 GLN HE21 H 7.7100 0.02 2 409 243 43 GLN HE22 H 6.8500 0.02 2 410 243 43 GLN HG2 H 2.2600 0.02 . 411 243 43 GLN HG3 H 2.4300 0.02 2 412 243 43 GLN CA C 54.6700 0.15 1 413 243 43 GLN CB C 30.5700 0.15 1 414 243 43 GLN CG C 35.3300 0.15 1 415 243 43 GLN N N 118.5000 0.08 1 416 243 43 GLN NE2 N 114.4100 0.08 1 417 244 44 GLN H H 8.5200 0.02 1 418 244 44 GLN HA H 3.8000 0.02 1 419 244 44 GLN HB2 H 2.0900 0.02 . 420 244 44 GLN HB3 H 1.8100 0.02 2 421 244 44 GLN HE21 H 7.7000 0.02 2 422 244 44 GLN HE22 H 6.9100 0.02 2 423 244 44 GLN HG2 H 2.4200 0.02 . 424 244 44 GLN HG3 H 2.4200 0.02 . 425 244 44 GLN CA C 55.9100 0.15 1 426 244 44 GLN CB C 29.1700 0.15 1 427 244 44 GLN CG C 34.3900 0.15 1 428 244 44 GLN N N 124.8900 0.08 1 429 244 44 GLN NE2 N 116.1900 0.08 1 430 245 45 PHE H H 7.9900 0.02 1 431 245 45 PHE HA H 4.4200 0.02 1 432 245 45 PHE HB2 H 3.3100 0.02 . 433 245 45 PHE HB3 H 2.7600 0.02 2 434 245 45 PHE HD1 H 6.6200 0.02 3 435 245 45 PHE HD2 H 6.6200 0.02 3 436 245 45 PHE HE1 H 6.5000 0.02 3 437 245 45 PHE HE2 H 6.5000 0.02 3 438 245 45 PHE CA C 56.5600 0.15 1 439 245 45 PHE CB C 37.8500 0.15 1 440 245 45 PHE CD1 C 131.2800 0.15 3 441 245 45 PHE CD2 C 131.2800 0.15 3 442 245 45 PHE N N 124.9200 0.08 1 443 246 46 PRO HA H 4.5300 0.02 1 444 246 46 PRO HB2 H 2.4600 0.02 . 445 246 46 PRO HB3 H 2.1800 0.02 2 446 246 46 PRO HD2 H 4.3900 0.02 . 447 246 46 PRO HD3 H 4.4300 0.02 2 448 246 46 PRO HG2 H 2.0800 0.02 . 449 246 46 PRO HG3 H 2.2100 0.02 2 450 246 46 PRO CA C 64.1200 0.15 1 451 246 46 PRO CB C 31.3700 0.15 1 452 246 46 PRO CD C 50.4400 0.15 1 453 246 46 PRO CG C 27.6200 0.15 1 454 247 47 GLU H H 9.3300 0.02 1 455 247 47 GLU HA H 4.0600 0.02 1 456 247 47 GLU HB2 H 2.2200 0.02 . 457 247 47 GLU HB3 H 2.3800 0.02 2 458 247 47 GLU HG2 H 2.2600 0.02 . 459 247 47 GLU HG3 H 2.3400 0.02 2 460 247 47 GLU CA C 57.3600 0.15 1 461 247 47 GLU CB C 27.7900 0.15 1 462 247 47 GLU CG C 36.5000 0.15 1 463 247 47 GLU N N 123.7400 0.08 1 464 248 48 GLY H H 8.3200 0.02 1 465 248 48 GLY HA2 H 3.9300 0.02 . 466 248 48 GLY HA3 H 4.2800 0.02 2 467 248 48 GLY CA C 46.0500 0.15 1 468 248 48 GLY N N 108.7100 0.08 1 469 249 49 LEU H H 7.5700 0.02 1 470 249 49 LEU HA H 4.1000 0.02 1 471 249 49 LEU HB2 H 1.5600 0.02 . 472 249 49 LEU HB3 H 1.6000 0.02 2 473 249 49 LEU HD1 H 0.7600 0.02 . 474 249 49 LEU HD2 H 0.8400 0.02 . 475 249 49 LEU HG H 1.3300 0.02 1 476 249 49 LEU CA C 54.8700 0.15 1 477 249 49 LEU CB C 42.0400 0.15 1 478 249 49 LEU CD1 C 23.9000 0.15 2 479 249 49 LEU CD2 C 24.3100 0.15 2 480 249 49 LEU CG C 26.9300 0.15 1 481 249 49 LEU N N 124.6200 0.08 1 482 250 50 PHE H H 6.9200 0.02 1 483 250 50 PHE HA H 4.7800 0.02 1 484 250 50 PHE HB2 H 0.4200 0.02 . 485 250 50 PHE HB3 H 1.6000 0.02 2 486 250 50 PHE HD1 H 6.3800 0.02 3 487 250 50 PHE HD2 H 6.3800 0.02 3 488 250 50 PHE HE1 H 7.2400 0.02 3 489 250 50 PHE HE2 H 7.2400 0.02 3 490 250 50 PHE HZ H 6.6300 0.02 1 491 250 50 PHE CA C 54.1100 0.15 1 492 250 50 PHE CB C 41.9600 0.15 1 493 250 50 PHE CD1 C 131.4700 0.15 3 494 250 50 PHE CD2 C 131.4700 0.15 3 495 250 50 PHE N N 121.8800 0.08 1 496 251 51 TYR H H 9.4600 0.02 1 497 251 51 TYR HA H 4.2400 0.02 1 498 251 51 TYR HB2 H 1.9000 0.02 . 499 251 51 TYR HB3 H 2.0200 0.02 2 500 251 51 TYR HD1 H 6.4400 0.02 3 501 251 51 TYR HD2 H 6.4400 0.02 3 502 251 51 TYR HE1 H 6.7200 0.02 3 503 251 51 TYR HE2 H 6.7200 0.02 3 504 251 51 TYR CA C 56.7100 0.15 1 505 251 51 TYR CB C 40.6900 0.15 1 506 251 51 TYR CD1 C 133.2700 0.15 3 507 251 51 TYR CD2 C 133.2700 0.15 3 508 251 51 TYR CE1 C 116.9200 0.15 3 509 251 51 TYR CE2 C 116.9200 0.15 3 510 251 51 TYR N N 122.0500 0.08 1 511 252 52 GLU H H 8.9700 0.02 1 512 252 52 GLU HA H 5.4700 0.02 1 513 252 52 GLU HB2 H 2.0400 0.02 . 514 252 52 GLU HB3 H 2.1800 0.02 2 515 252 52 GLU HG2 H 2.1900 0.02 . 516 252 52 GLU HG3 H 2.3100 0.02 2 517 252 52 GLU CA C 55.6800 0.15 1 518 252 52 GLU CB C 32.1100 0.15 1 519 252 52 GLU CG C 37.2700 0.15 1 520 252 52 GLU N N 126.5700 0.08 1 521 253 53 PHE H H 9.4700 0.02 1 522 253 53 PHE HA H 4.8700 0.02 1 523 253 53 PHE HB2 H 2.7200 0.02 . 524 253 53 PHE HB3 H 3.0800 0.02 2 525 253 53 PHE HD1 H 6.6700 0.02 3 526 253 53 PHE HD2 H 6.6700 0.02 3 527 253 53 PHE HE1 H 7.2000 0.02 3 528 253 53 PHE HE2 H 7.2000 0.02 3 529 253 53 PHE CA C 58.8500 0.15 1 530 253 53 PHE CB C 42.6000 0.15 1 531 253 53 PHE CD1 C 143.4500 0.15 3 532 253 53 PHE N N 126.2400 0.08 1 533 254 54 GLU H H 9.4900 0.02 1 534 254 54 GLU HA H 3.6400 0.02 1 535 254 54 GLU HB2 H 1.6000 0.02 . 536 254 54 GLU HB3 H 2.1400 0.02 2 537 254 54 GLU HG2 H 1.2400 0.02 . 538 254 54 GLU HG3 H 1.6000 0.02 2 539 254 54 GLU CA C 56.6800 0.15 1 540 254 54 GLU CB C 27.8300 0.15 1 541 254 54 GLU CG C 36.3000 0.15 1 542 254 54 GLU N N 132.0600 0.08 1 543 255 55 GLY H H 8.8700 0.02 1 544 255 55 GLY HA2 H 3.7500 0.02 . 545 255 55 GLY HA3 H 4.2000 0.02 2 546 255 55 GLY CA C 45.3700 0.15 1 547 255 55 GLY N N 107.4200 0.08 1 548 256 56 ARG H H 7.8400 0.02 1 549 256 56 ARG HA H 4.7800 0.02 1 550 256 56 ARG HB2 H 1.6500 0.02 . 551 256 56 ARG HB3 H 1.8000 0.02 2 552 256 56 ARG HD2 H 3.2600 0.02 . 553 256 56 ARG HD3 H 3.3400 0.02 2 554 256 56 ARG HG2 H 2.1000 0.02 . 555 256 56 ARG HG3 H 2.2100 0.02 2 556 256 56 ARG CA C 54.3900 0.15 1 557 256 56 ARG CB C 35.3100 0.15 1 558 256 56 ARG CD C 43.4800 0.15 1 559 256 56 ARG CG C 27.6400 0.15 1 560 256 56 ARG N N 122.6900 0.08 1 561 257 57 LYS H H 9.0200 0.02 1 562 257 57 LYS HA H 4.8700 0.02 1 563 257 57 LYS HB2 H 0.8500 0.02 . 564 257 57 LYS HB3 H 1.6600 0.02 2 565 257 57 LYS HD2 H 1.1800 0.02 . 566 257 57 LYS HD3 H 0.1200 0.02 2 567 257 57 LYS HE2 H 2.5500 0.02 . 568 257 57 LYS HE3 H 2.8300 0.02 2 569 257 57 LYS HG2 H 0.6900 0.02 . 570 257 57 LYS HG3 H 1.4700 0.02 2 571 257 57 LYS CA C 55.6500 0.15 1 572 257 57 LYS CB C 35.3300 0.15 1 573 257 57 LYS CD C 28.4900 0.15 1 574 257 57 LYS CE C 42.1700 0.15 1 575 257 57 LYS CG C 25.7700 0.15 1 576 257 57 LYS N N 123.5600 0.08 1 577 258 58 TYR H H 9.2600 0.02 1 578 258 58 TYR HA H 6.4600 0.02 1 579 258 58 TYR HB2 H 3.0800 0.02 . 580 258 58 TYR HB3 H 3.1900 0.02 2 581 258 58 TYR HD1 H 7.4200 0.02 3 582 258 58 TYR HD2 H 7.4200 0.02 3 583 258 58 TYR HE1 H 7.0900 0.02 3 584 258 58 TYR HE2 H 7.0900 0.02 3 585 258 58 TYR CA C 56.7100 0.15 1 586 258 58 TYR CB C 43.9000 0.15 1 587 258 58 TYR CD1 C 132.8900 0.15 3 588 258 58 TYR CD2 C 132.8900 0.15 3 589 258 58 TYR CE1 C 118.5100 0.15 3 590 258 58 TYR CE2 C 118.5100 0.15 3 591 258 58 TYR N N 120.1600 0.08 1 592 259 59 CYS H H 10.2800 0.02 1 593 259 59 CYS HA H 5.2400 0.02 1 594 259 59 CYS HB2 H 3.9100 0.02 . 595 259 59 CYS HB3 H 3.4600 0.02 2 596 259 59 CYS CA C 57.3700 0.15 1 597 259 59 CYS CB C 30.7600 0.15 1 598 259 59 CYS N N 124.4700 0.08 1 599 260 60 GLU H H 9.9800 0.02 1 600 260 60 GLU HA H 3.9000 0.02 1 601 260 60 GLU HB2 H 2.2800 0.02 . 602 260 60 GLU HB3 H 2.4000 0.02 2 603 260 60 GLU HG2 H 2.2000 0.02 . 604 260 60 GLU HG3 H 2.2600 0.02 2 605 260 60 GLU CA C 60.7700 0.15 1 606 260 60 GLU CB C 30.5400 0.15 1 607 260 60 GLU CG C 36.5300 0.15 1 608 260 60 GLU N N 124.7800 0.08 1 609 261 61 HIS H H 9.0300 0.02 1 610 261 61 HIS HA H 4.3200 0.02 1 611 261 61 HIS HB2 H 3.4900 0.02 . 612 261 61 HIS HB3 H 3.5300 0.02 2 613 261 61 HIS HD2 H 6.6000 0.02 1 614 261 61 HIS HE1 H 8.7300 0.02 1 615 261 61 HIS CA C 60.1200 0.15 1 616 261 61 HIS CB C 29.5800 0.15 1 617 261 61 HIS CD2 C 116.9200 0.15 1 618 261 61 HIS CE1 C 136.6900 0.15 1 619 261 61 HIS N N 119.0800 0.08 1 620 262 62 ASP H H 9.1800 0.02 1 621 262 62 ASP HA H 4.6800 0.02 1 622 262 62 ASP HB2 H 2.5800 0.02 . 623 262 62 ASP HB3 H 3.2300 0.02 2 624 262 62 ASP CA C 58.8500 0.15 1 625 262 62 ASP CB C 41.0400 0.15 1 626 262 62 ASP N N 122.6400 0.08 1 627 263 63 PHE H H 9.5600 0.02 1 628 263 63 PHE HA H 4.2600 0.02 1 629 263 63 PHE HB2 H 2.8700 0.02 . 630 263 63 PHE HB3 H 3.1800 0.02 2 631 263 63 PHE HD1 H 6.8000 0.02 3 632 263 63 PHE HD2 H 6.8000 0.02 3 633 263 63 PHE HE1 H 6.5000 0.02 3 634 263 63 PHE HE2 H 6.5000 0.02 3 635 263 63 PHE HZ H 7.2900 0.02 1 636 263 63 PHE CA C 62.2000 0.15 1 637 263 63 PHE CB C 39.7800 0.15 1 638 263 63 PHE CD1 C 131.3200 0.15 3 639 263 63 PHE CD2 C 131.3200 0.15 3 640 263 63 PHE CZ C 130.9500 0.15 1 641 263 63 PHE N N 123.2000 0.08 1 642 264 64 GLN H H 8.8000 0.02 1 643 264 64 GLN HA H 3.7600 0.02 1 644 264 64 GLN HB2 H 2.0700 0.02 . 645 264 64 GLN HB3 H 2.2000 0.02 2 646 264 64 GLN HE21 H 7.7100 0.02 2 647 264 64 GLN HE22 H 6.8500 0.02 2 648 264 64 GLN HG2 H 2.4000 0.02 . 649 264 64 GLN HG3 H 2.4000 0.02 . 650 264 64 GLN CA C 58.4300 0.15 1 651 264 64 GLN CB C 27.7700 0.15 1 652 264 64 GLN CG C 34.1200 0.15 1 653 264 64 GLN N N 121.2000 0.08 1 654 264 64 GLN NE2 N 114.4100 0.08 1 655 265 65 MET H H 7.8800 0.02 1 656 265 65 MET HA H 4.1500 0.02 1 657 265 65 MET HB2 H 1.8900 0.02 . 658 265 65 MET HB3 H 1.8900 0.02 . 659 265 65 MET HE H 1.8000 0.02 . 660 265 65 MET HG2 H 2.2000 0.02 . 661 265 65 MET HG3 H 2.4400 0.02 2 662 265 65 MET CA C 56.4800 0.15 1 663 265 65 MET CB C 32.7000 0.15 1 664 265 65 MET CE C 16.2000 0.15 1 665 265 65 MET CG C 31.4800 0.15 1 666 265 65 MET N N 117.9500 0.08 1 667 266 66 LEU H H 7.0000 0.02 1 668 266 66 LEU HA H 3.9800 0.02 1 669 266 66 LEU HB2 H 0.2800 0.02 . 670 266 66 LEU HB3 H 1.6600 0.02 2 671 266 66 LEU HD1 H 0.4600 0.02 . 672 266 66 LEU HD2 H 0.3400 0.02 . 673 266 66 LEU HG H 1.3400 0.02 1 674 266 66 LEU CA C 55.9000 0.15 1 675 266 66 LEU CB C 41.7500 0.15 1 676 266 66 LEU CD1 C 24.7000 0.15 2 677 266 66 LEU CD2 C 21.4600 0.15 2 678 266 66 LEU CG C 26.0900 0.15 1 679 266 66 LEU N N 113.7400 0.08 1 680 267 67 PHE H H 7.1500 0.02 1 681 267 67 PHE HA H 3.8900 0.02 1 682 267 67 PHE HB2 H 2.1900 0.02 . 683 267 67 PHE HB3 H 1.9000 0.02 2 684 267 67 PHE HD1 H 6.7300 0.02 3 685 267 67 PHE HD2 H 6.7300 0.02 3 686 267 67 PHE HE1 H 7.0100 0.02 3 687 267 67 PHE HE2 H 7.0100 0.02 3 688 267 67 PHE CA C 56.3000 0.15 1 689 267 67 PHE CB C 39.4400 0.15 1 690 267 67 PHE CD1 C 129.6000 0.15 3 691 267 67 PHE CD2 C 129.7000 0.15 3 692 267 67 PHE N N 117.2600 0.08 1 693 268 68 ALA H H 6.8900 0.02 1 694 268 68 ALA HA H 3.7100 0.02 1 695 268 68 ALA HB H 1.0700 0.02 . 696 268 68 ALA CA C 51.1200 0.15 1 697 268 68 ALA CB C 18.5800 0.15 1 698 268 68 ALA N N 125.3400 0.08 1 699 269 69 PRO HA H 4.2200 0.02 1 700 269 69 PRO HB2 H 1.4900 0.02 . 701 269 69 PRO HB3 H 1.9800 0.02 2 702 269 69 PRO HD2 H 3.4800 0.02 . 703 269 69 PRO HD3 H 3.4500 0.02 2 704 269 69 PRO HG2 H 1.8100 0.02 . 705 269 69 PRO HG3 H 1.8100 0.02 . 706 269 69 PRO CA C 62.9500 0.15 1 707 269 69 PRO CB C 31.8000 0.15 1 708 269 69 PRO CD C 50.1800 0.15 1 709 269 69 PRO CG C 27.0700 0.15 1 710 270 70 CYS H H 8.0300 0.02 1 711 270 70 CYS HA H 4.4100 0.02 1 712 270 70 CYS HB2 H 2.7800 0.02 . 713 270 70 CYS HB3 H 2.7800 0.02 . 714 270 70 CYS CA C 57.8000 0.15 1 715 270 70 CYS CB C 27.9900 0.15 1 716 270 70 CYS N N 121.3300 0.08 1 stop_ save_