data_6298 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR STRUCTURE OF HUMAN HISTONE CHAPERONE, ASF1A ; _BMRB_accession_number 6298 _BMRB_flat_file_name bmr6298.str _Entry_type original _Submission_date 2004-08-26 _Accession_date 2004-08-26 _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 MOUSSON F. . . 2 LAUTRETTE A. . . 3 THURET J. Y. . 4 AGEZ M. . . 5 AMIGUES B. . . 6 BECKER E. . . 7 COURBEYRETTE R. . . 8 NEUMANN J. M. . 9 GUEROIS R. . . 10 MANN C. . . 11 OCHSENBEIN F. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 905 "13C chemical shifts" 668 "15N chemical shifts" 166 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-11-07 original author . stop_ _Original_release_date 2005-11-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: 1H, 13C and 15N Resonance Assignments of the Conserved Core of hAsf1 A ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mousson Florence . . 2 Couprie Joel . . 3 Thuret Jean-Yves . . 4 Neumann Jean-Michel . . 5 Mann Carl . . 6 Ochsenbein Francoise . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 29 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 413 _Page_last 414 _Year 2004 _Details . loop_ _Keyword BETA-SANDWICH 'DISTORTED IMMUNOGLOBULIN-LIKE' stop_ save_ ####################################### # Cited references within the entry # ####################################### save_citation _Saveframe_category citation _Citation_full . _Citation_title 'Structural basis for the interaction of Asf1 with histone H3 and its functional implications.' _Citation_status . _Citation_type . _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15840725 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 MOUSSON F. . . 2 LAUTRETTE A. . . 3 THURET J. Y. . 4 AGEZ M. . . 5 COURBEYRETTE R. . . 6 AMIGUES B. . . 7 BECKER E. . . 8 NEUMANN J. M. . 9 GUEROIS R. . . 10 MANN C. . . 11 OCHSENBEIN F. . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U. S. A.' _Journal_name_full . _Journal_volume 102 _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 5975 _Page_last 5980 _Year 2005 _Details . loop_ _Keyword BETA-SANDWICH 'DISTORTED IMMUNOGLOBULIN-LIKE' stop_ save_ ################################## # Molecular system description # ################################## save_system_homolog_A _Saveframe_category molecular_system _Mol_system_name 'ASF1 anti-silencing function 1 homolog A' _Abbreviation_common 'ASF1 anti-silencing function 1 homolog A' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Four-helix bundle model' $homolog_A stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_homolog_A _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'ASF1 anti-silencing function 1 homolog A' _Abbreviation_common 'ASF1 anti-silencing function 1 homolog A' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 156 _Mol_residue_sequence ; MAKVQVNNVVVLDNPSPFYN PFQFEITFECIEDLSEDLEW KIIYVGSAESEEYDQVLDSV LVGPVPAGRHMFVFQADAPN PGLIPDADAVGVTVVLITCT YRGQEFIRVGYYVNNEYTET ELRENPPVKPDFSKLQRNIL ASNPRVTRFHINWEDN ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 LYS 4 VAL 5 GLN 6 VAL 7 ASN 8 ASN 9 VAL 10 VAL 11 VAL 12 LEU 13 ASP 14 ASN 15 PRO 16 SER 17 PRO 18 PHE 19 TYR 20 ASN 21 PRO 22 PHE 23 GLN 24 PHE 25 GLU 26 ILE 27 THR 28 PHE 29 GLU 30 CYS 31 ILE 32 GLU 33 ASP 34 LEU 35 SER 36 GLU 37 ASP 38 LEU 39 GLU 40 TRP 41 LYS 42 ILE 43 ILE 44 TYR 45 VAL 46 GLY 47 SER 48 ALA 49 GLU 50 SER 51 GLU 52 GLU 53 TYR 54 ASP 55 GLN 56 VAL 57 LEU 58 ASP 59 SER 60 VAL 61 LEU 62 VAL 63 GLY 64 PRO 65 VAL 66 PRO 67 ALA 68 GLY 69 ARG 70 HIS 71 MET 72 PHE 73 VAL 74 PHE 75 GLN 76 ALA 77 ASP 78 ALA 79 PRO 80 ASN 81 PRO 82 GLY 83 LEU 84 ILE 85 PRO 86 ASP 87 ALA 88 ASP 89 ALA 90 VAL 91 GLY 92 VAL 93 THR 94 VAL 95 VAL 96 LEU 97 ILE 98 THR 99 CYS 100 THR 101 TYR 102 ARG 103 GLY 104 GLN 105 GLU 106 PHE 107 ILE 108 ARG 109 VAL 110 GLY 111 TYR 112 TYR 113 VAL 114 ASN 115 ASN 116 GLU 117 TYR 118 THR 119 GLU 120 THR 121 GLU 122 LEU 123 ARG 124 GLU 125 ASN 126 PRO 127 PRO 128 VAL 129 LYS 130 PRO 131 ASP 132 PHE 133 SER 134 LYS 135 LEU 136 GLN 137 ARG 138 ASN 139 ILE 140 LEU 141 ALA 142 SER 143 ASN 144 PRO 145 ARG 146 VAL 147 THR 148 ARG 149 PHE 150 HIS 151 ILE 152 ASN 153 TRP 154 GLU 155 ASP 156 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1TEY "Nmr Structure Of Human Histone Chaperone, Asf1a" 100.00 158 100.00 100.00 8.71e-110 PDB 2I32 "Structure Of A Human Asf1a-Hira Complex And Insights Into Specificity Of Histone Chaperone Complex Assembly" 100.00 182 100.00 100.00 7.08e-110 PDB 2IIJ "Structure Of Human Asf1a In Complex With Histone H3" 100.00 158 100.00 100.00 8.71e-110 PDB 2IO5 "Crystal Structure Of The Cia- Histone H3-H4 Complex" 100.00 175 100.00 100.00 4.53e-110 PDB 3AAD "Structure Of The Histone Chaperone Cia/asf1-double Bromodomain Complex Linking Histone Modifications And Site-specific Histone " 99.36 158 100.00 100.00 5.71e-109 DBJ BAA96542 "CIA [Homo sapiens]" 100.00 204 100.00 100.00 2.06e-110 DBJ BAB15228 "unnamed protein product [Homo sapiens]" 100.00 204 100.00 100.00 2.06e-110 DBJ BAB25269 "unnamed protein product [Mus musculus]" 100.00 204 99.36 99.36 1.27e-109 DBJ BAB26770 "unnamed protein product [Mus musculus]" 100.00 204 99.36 99.36 1.27e-109 DBJ BAB28198 "unnamed protein product [Mus musculus]" 100.00 204 99.36 99.36 1.27e-109 EMBL CAB43363 "hypothetical protein [Homo sapiens]" 100.00 204 100.00 100.00 2.06e-110 EMBL CAG33628 "ASF1A [Homo sapiens]" 100.00 204 100.00 100.00 2.45e-110 GB AAD34093 "CGI-98 protein [Homo sapiens]" 100.00 204 100.00 100.00 2.06e-110 GB AAF29110 "HSPC146 [Homo sapiens]" 100.00 204 99.36 99.36 1.08e-109 GB AAH10878 "ASF1 anti-silencing function 1 homolog A (S. cerevisiae) [Homo sapiens]" 100.00 204 100.00 100.00 2.06e-110 GB AAH27628 "ASF1 anti-silencing function 1 homolog A (S. cerevisiae) [Mus musculus]" 100.00 204 99.36 99.36 1.27e-109 GB AAI12652 "ASF1 anti-silencing function 1 homolog A (S. cerevisiae) [Bos taurus]" 100.00 204 100.00 100.00 2.89e-110 REF NP_001038155 "histone chaperone ASF1 [Gallus gallus]" 100.00 204 100.00 100.00 2.06e-110 REF NP_001069961 "histone chaperone ASF1A [Bos taurus]" 100.00 204 100.00 100.00 2.89e-110 REF NP_001086449 "histone chaperone asf1a-A [Xenopus laevis]" 100.00 201 99.36 100.00 4.50e-109 REF NP_001099859 "histone chaperone ASF1A [Rattus norvegicus]" 100.00 204 99.36 99.36 9.70e-110 REF NP_001159660 "histone chaperone ASF1A [Ovis aries]" 100.00 204 100.00 100.00 2.06e-110 SP Q2KIG1 "RecName: Full=Histone chaperone ASF1A; AltName: Full=Anti-silencing function protein 1 homolog A [Bos taurus]" 100.00 204 100.00 100.00 2.89e-110 SP Q3C1E9 "RecName: Full=Histone chaperone ASF1; AltName: Full=Anti-silencing function protein 1 homolog [Gallus gallus]" 100.00 204 100.00 100.00 2.06e-110 SP Q69DB9 "RecName: Full=Histone chaperone asf1a-A; AltName: Full=Anti-silencing function protein 1 homolog; Short=XAsf1; AltName: Full=An" 100.00 201 99.36 100.00 4.50e-109 SP Q9CQE6 "RecName: Full=Histone chaperone ASF1A; AltName: Full=Anti-silencing function protein 1 homolog A [Mus musculus]" 100.00 204 99.36 99.36 1.27e-109 SP Q9Y294 "RecName: Full=Histone chaperone ASF1A; AltName: Full=Anti-silencing function protein 1 homolog A; Short=hAsf1; Short=hAsf1a; Al" 100.00 204 100.00 100.00 2.06e-110 TPG DAA26326 "TPA: histone chaperone ASF1A [Bos taurus]" 100.00 204 100.00 100.00 2.89e-110 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $homolog_A 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 $homolog_A 'recombinant technology' 'E. coli' Escherichia coli 'BL21 GOLD DE3' PETM30 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 $homolog_A 1 mM '[U-15N; U-13C]' tris-D11 20 mM . EDTA 1 mM . DSS 0.1 mM . NaN3 0.1 mM . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version 3.1 loop_ _Task collection processing stop_ _Details Bruker save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.106 loop_ _Task 'data analysis' stop_ _Details 'T. D. Goddard and D. G. Kneller' save_ save_ARIA _Saveframe_category software _Name ARIA _Version 1.1 loop_ _Task refinement stop_ _Details 'J.Linge, S.O'Donoghue, M.Nilges' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_HNHA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label $sample_1 save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.4 . n/a temperature 298 . K 'ionic strength' 20 . mM pressure 1 . atm stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 . ppm 0.0 . . . . . 1.0 DSS N 15 . ppm 0.0 . . . . . 0.101329112 DSS C 13 . ppm 0.0 . . . . . 0.251449519 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_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Four-helix bundle model' _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 MET C C 175.011 0.0 . 2 . 1 MET CA C 54.712 0.0 . 3 . 1 MET CB C 33.01 0.0 . 4 . 1 MET CE C 16.914 0.0 . 5 . 1 MET CG C 31.646 0.0 . 6 . 1 MET HA H 4.374 0.0 . 7 . 1 MET HB3 H 1.908 0.0 . 8 . 1 MET HE H 2.011 0.0 . 9 . 1 MET HG2 H 2.463 0.0 . 10 . 1 MET HG3 H 2.468 0.0 . 11 . 1 MET H H 8.229 0.0 . 12 . 1 MET N N 119.945 0.0 . 13 . 2 ALA C C 177.763 0.0 . 14 . 2 ALA CA C 51.643 0.0 . 15 . 2 ALA CB C 19.267 0.0 . 16 . 2 ALA HA H 2.997 0.0 . 17 . 2 ALA HB H 1.278 0.0 . 18 . 2 ALA H H 8.147 0.0 . 19 . 2 ALA N N 124.65 0.0 . 20 . 3 LYS C C 174.298 0.0 . 21 . 3 LYS CA C 57.006 0.0 . 22 . 3 LYS CB C 32.787 0.0 . 23 . 3 LYS CD C 29.339 0.0 . 24 . 3 LYS CE C 41.916 0.0 . 25 . 3 LYS CG C 26.485 0.0 . 26 . 3 LYS HA H 3.603 0.0 . 27 . 3 LYS HB2 H 0.705 0.0 . 28 . 3 LYS HB3 H 1.445 0.0 . 29 . 3 LYS HD2 H 1.465 0.0 . 30 . 3 LYS HD3 H 1.469 0.0 . 31 . 3 LYS HE2 H 2.932 0.0 . 32 . 3 LYS HE3 H 2.924 0.0 . 33 . 3 LYS HG2 H 0.909 0.0 . 34 . 3 LYS HG3 H 0.963 0.0 . 35 . 3 LYS H H 3.63 0.0 . 36 . 3 LYS N N 114.564 0.0 . 37 . 4 VAL C C 173.884 0.0 . 38 . 4 VAL CA C 59.888 0.0 . 39 . 4 VAL CB C 34.668 0.0 . 40 . 4 VAL CG1 C 21.362 0.0 . 41 . 4 VAL CG2 C 23.183 0.0 . 42 . 4 VAL HA H 4.911 0.0 . 43 . 4 VAL HB H 1.613 0.0 . 44 . 4 VAL HG1 H 1.002 0.0 . 45 . 4 VAL HG2 H 0.844 0.0 . 46 . 4 VAL H H 5.621 0.0 . 47 . 4 VAL N N 114.169 0.0 . 48 . 5 GLN C C 175.167 0.0 . 49 . 5 GLN CA C 53.289 0.0 . 50 . 5 GLN CG C 32.844 0.0 . 51 . 5 GLN HA H 4.757 0.0 . 52 . 5 GLN HB2 H 2.093 0.0 . 53 . 5 GLN HB3 H 1.911 0.0 . 54 . 5 GLN HE21 H 7.545 0.0 . 55 . 5 GLN HE22 H 6.696 0.0 . 56 . 5 GLN HG2 H 2.24 0.0 . 57 . 5 GLN HG3 H 2.246 0.0 . 58 . 5 GLN H H 8.908 0.0 . 59 . 5 GLN N N 123.548 0.0 . 60 . 5 GLN NE2 N 111.626 0.0 . 61 . 6 VAL C C 174.984 0.0 . 62 . 6 VAL CA C 63.323 0.0 . 63 . 6 VAL CB C 31.591 0.0 . 64 . 6 VAL CG1 C 22.929 0.0 . 65 . 6 VAL CG2 C 21.738 0.0 . 66 . 6 VAL HA H 4.281 0.0 . 67 . 6 VAL HB H 2.129 0.0 . 68 . 6 VAL HG1 H 1.184 0.0 . 69 . 6 VAL HG2 H 0.997 0.0 . 70 . 6 VAL H H 9.235 0.0 . 71 . 6 VAL N N 125.071 0.0 . 72 . 7 ASN C C 175.108 0.0 . 73 . 7 ASN CA C 54.661 0.0 . 74 . 7 ASN CB C 40.537 0.0 . 75 . 7 ASN HA H 4.816 0.0 . 76 . 7 ASN HB2 H 2.363 0.0 . 77 . 7 ASN HB3 H 2.823 0.0 . 78 . 7 ASN HD21 H 7.271 0.0 . 79 . 7 ASN HD22 H 7.018 0.0 . 80 . 7 ASN H H 9.019 0.0 . 81 . 7 ASN N N 127.128 0.0 . 82 . 7 ASN ND2 N 107.278 0.0 . 83 . 8 ASN C C 172.663 0.0 . 84 . 8 ASN CA C 52.957 0.0 . 85 . 8 ASN CB C 41.385 0.0 . 86 . 8 ASN HA H 4.914 0.0 . 87 . 8 ASN HB2 H 2.774 0.0 . 88 . 8 ASN HB3 H 2.78 0.0 . 89 . 8 ASN HD21 H 7.505 0.0 . 90 . 8 ASN HD22 H 6.758 0.0 . 91 . 8 ASN H H 7.969 0.0 . 92 . 8 ASN N N 114.725 0.0 . 93 . 8 ASN ND2 N 112.009 0.0 . 94 . 9 VAL C C 174.547 0.0 . 95 . 9 VAL CA C 61.908 0.0 . 96 . 9 VAL CB C 34.224 0.0 . 97 . 9 VAL CG1 C 21.063 0.0 . 98 . 9 VAL CG2 C 22.509 0.0 . 99 . 9 VAL HA H 4.744 0.0 . 100 . 9 VAL HB H 2.171 0.0 . 101 . 9 VAL HG1 H 0.936 0.0 . 102 . 9 VAL HG2 H 0.895 0.0 . 103 . 9 VAL H H 8.02 0.0 . 104 . 9 VAL N N 122.809 0.0 . 105 . 10 VAL C C 175.27 0.0 . 106 . 10 VAL CA C 60.95 0.0 . 107 . 10 VAL CB C 34.547 0.0 . 108 . 10 VAL CG1 C 21.421 0.0 . 109 . 10 VAL CG2 C 21.047 0.0 . 110 . 10 VAL HA H 4.401 0.0 . 111 . 10 VAL HB H 2.04 0.0 . 112 . 10 VAL HG1 H 0.94 0.0 . 113 . 10 VAL HG2 H 0.865 0.0 . 114 . 10 VAL H H 9.191 0.0 . 115 . 10 VAL N N 128.516 0.0 . 116 . 11 VAL C C 175.411 0.0 . 117 . 11 VAL CA C 62.341 0.0 . 118 . 11 VAL CB C 31.313 0.0 . 119 . 11 VAL CG1 C 22.69 0.0 . 120 . 11 VAL CG2 C 21.091 0.0 . 121 . 11 VAL HA H 3.911 0.0 . 122 . 11 VAL HB H 1.874 0.0 . 123 . 11 VAL HG1 H 0.628 0.0 . 124 . 11 VAL HG2 H 0.636 0.0 . 125 . 11 VAL H H 8.789 0.0 . 126 . 11 VAL N N 128.518 0.0 . 127 . 12 LEU C C 175.135 0.0 . 128 . 12 LEU CA C 53.605 0.0 . 129 . 12 LEU CB C 42.46 0.0 . 130 . 12 LEU CD1 C 22.73 0.0 . 131 . 12 LEU CD2 C 25.62 0.0 . 132 . 12 LEU CG C 26.992 0.0 . 133 . 12 LEU HA H 4.409 0.0 . 134 . 12 LEU HB2 H 1.248 0.0 . 135 . 12 LEU HB3 H 1.438 0.0 . 136 . 12 LEU HD1 H 0.719 0.0 . 137 . 12 LEU HD2 H 0.749 0.0 . 138 . 12 LEU HG H 1.424 0.0 . 139 . 12 LEU H H 7.812 0.0 . 140 . 12 LEU N N 129.144 0.0 . 141 . 13 ASP C C 173.195 0.0 . 142 . 13 ASP CA C 54.275 0.0 . 143 . 13 ASP CB C 39.595 0.0 . 144 . 13 ASP HA H 4.117 0.0 . 145 . 13 ASP HB2 H 2.108 0.0 . 146 . 13 ASP HB3 H 2.856 0.0 . 147 . 13 ASP H H 8.214 0.0 . 148 . 13 ASP N N 116.767 0.0 . 149 . 14 ASN C C 173.443 0.0 . 150 . 14 ASN CA C 50.3 0.0 . 151 . 14 ASN CB C 43.357 0.0 . 152 . 14 ASN HA H 4.861 0.0 . 153 . 14 ASN HB2 H 2.235 0.0 . 154 . 14 ASN HB3 H 2.54 0.0 . 155 . 14 ASN HD21 H 8.251 0.0 . 156 . 14 ASN HD22 H 8.117 0.0 . 157 . 14 ASN H H 7.707 0.0 . 158 . 14 ASN N N 116.081 0.0 . 159 . 14 ASN ND2 N 118.43 0.0 . 160 . 15 PRO C C 175.512 0.0 . 161 . 15 PRO CA C 63.55 0.0 . 162 . 15 PRO CB C 35.801 0.0 . 163 . 15 PRO CD C 50.231 0.0 . 164 . 15 PRO CG C 24.791 0.0 . 165 . 15 PRO HA H 5.266 0.0 . 166 . 15 PRO HB2 H 1.857 0.0 . 167 . 15 PRO HB3 H 2.374 0.0 . 168 . 15 PRO HD2 H 3.479 0.0 . 169 . 15 PRO HD3 H 3.574 0.0 . 170 . 15 PRO HG2 H 1.697 0.0 . 171 . 15 PRO HG3 H 1.821 0.0 . 172 . 16 SER C C 170.99 0.0 . 173 . 16 SER CA C 57.051 0.0 . 174 . 16 SER CB C 65.441 0.0 . 175 . 16 SER HA H 4.986 0.0 . 176 . 16 SER HB2 H 3.857 0.0 . 177 . 16 SER HB3 H 3.863 0.0 . 178 . 16 SER H H 8.815 0.0 . 179 . 16 SER N N 113.755 0.0 . 180 . 17 PRO C C 176.772 0.0 . 181 . 17 PRO CA C 63.758 0.0 . 182 . 17 PRO CB C 32.072 0.0 . 183 . 17 PRO CD C 50.498 0.0 . 184 . 17 PRO HA H 4.612 0.0 . 185 . 17 PRO HB2 H 1.655 0.0 . 186 . 17 PRO HB3 H 2.608 0.0 . 187 . 17 PRO HD2 H 3.525 0.0 . 188 . 17 PRO HD3 H 3.843 0.0 . 189 . 17 PRO HG2 H 2.042 0.0 . 190 . 17 PRO HG3 H 2.065 0.0 . 191 . 18 PHE C C 174.46 0.0 . 192 . 18 PHE CA C 61.662 0.0 . 193 . 18 PHE CB C 40.225 0.0 . 194 . 18 PHE CD1 C 132.834 0.0 . 195 . 18 PHE CE1 C 131.471 0.0 . 196 . 18 PHE HA H 3.637 0.0 . 197 . 18 PHE HB2 H 2.837 0.0 . 198 . 18 PHE HB3 H 2.946 0.0 . 199 . 18 PHE H H 8.231 0.0 . 200 . 18 PHE HZ H 7.002 0.0 . 201 . 18 PHE N N 124.792 0.0 . 202 . 18 PHE HD1 H 6.644 0.0 . 203 . 18 PHE HE1 H 6.91 0.0 . 204 . 19 TYR C C 176.589 0.0 . 205 . 19 TYR CA C 57.887 0.0 . 206 . 19 TYR CB C 37.659 0.0 . 207 . 19 TYR CD1 C 133.22 0.0 . 208 . 19 TYR CE1 C 118.183 0.0 . 209 . 19 TYR HA H 4.247 0.0 . 210 . 19 TYR HB2 H 2.878 0.0 . 211 . 19 TYR HB3 H 3.309 0.0 . 212 . 19 TYR H H 7.712 0.0 . 213 . 19 TYR N N 108.859 0.0 . 214 . 19 TYR HD1 H 7.323 0.0 . 215 . 19 TYR HE1 H 6.752 0.0 . 216 . 20 ASN C C 172.729 0.0 . 217 . 20 ASN CA C 51.66 0.0 . 218 . 20 ASN CB C 37.242 0.0 . 219 . 20 ASN HA H 4.717 0.0 . 220 . 20 ASN HB2 H 2.696 0.0 . 221 . 20 ASN HB3 H 2.689 0.0 . 222 . 20 ASN HD21 H 8.219 0.0 . 223 . 20 ASN HD22 H 7.003 0.0 . 224 . 20 ASN H H 7.657 0.0 . 225 . 20 ASN N N 124.195 0.0 . 226 . 20 ASN ND2 N 113.745 0.0 . 227 . 21 PRO C C 178.927 0.0 . 228 . 21 PRO CA C 63.096 0.0 . 229 . 21 PRO CB C 32.407 0.0 . 230 . 21 PRO CD C 50.293 0.0 . 231 . 21 PRO CG C 27.219 0.0 . 232 . 21 PRO HA H 4.588 0.0 . 233 . 21 PRO HB2 H 1.588 0.0 . 234 . 21 PRO HB3 H 2.281 0.0 . 235 . 21 PRO HD2 H 3.537 0.0 . 236 . 21 PRO HD3 H 3.777 0.0 . 237 . 21 PRO HG2 H 1.871 0.0 . 238 . 21 PRO HG3 H 2.032 0.0 . 239 . 22 PHE C C 176.174 0.0 . 240 . 22 PHE CA C 58.971 0.0 . 241 . 22 PHE CB C 41.123 0.0 . 242 . 22 PHE CD1 C 132.156 0.0 . 243 . 22 PHE HA H 3.945 0.0 . 244 . 22 PHE HB2 H 2.596 0.0 . 245 . 22 PHE HB3 H 2.677 0.0 . 246 . 22 PHE H H 9.107 0.0 . 247 . 22 PHE HZ H 7.261 0.0 . 248 . 22 PHE N N 122.267 0.0 . 249 . 22 PHE HD1 H 7.013 0.0 . 250 . 22 PHE HE1 H 7.108 0.0 . 251 . 23 GLN C C 173.149 0.0 . 252 . 23 GLN CA C 55.508 0.0 . 253 . 23 GLN CB C 34.375 0.0 . 254 . 23 GLN CG C 34.653 0.0 . 255 . 23 GLN HA H 4.718 0.0 . 256 . 23 GLN HB2 H 1.636 0.0 . 257 . 23 GLN HB3 H 1.683 0.0 . 258 . 23 GLN HE21 H 7.546 0.0 . 259 . 23 GLN HE22 H 6.798 0.0 . 260 . 23 GLN HG2 H 1.879 0.0 . 261 . 23 GLN HG3 H 2.004 0.0 . 262 . 23 GLN H H 8.814 0.0 . 263 . 23 GLN N N 119.306 0.0 . 264 . 23 GLN NE2 N 111.397 0.0 . 265 . 24 PHE C C 174.273 0.0 . 266 . 24 PHE CA C 54.884 0.0 . 267 . 24 PHE CB C 42.61 0.0 . 268 . 24 PHE CD1 C 132.431 0.0 . 269 . 24 PHE CE1 C 131.014 0.0 . 270 . 24 PHE CZ C 128.693 0.0 . 271 . 24 PHE HA H 5.34 0.0 . 272 . 24 PHE HB2 H 2.679 0.0 . 273 . 24 PHE HB3 H 2.729 0.0 . 274 . 24 PHE H H 8.408 0.0 . 275 . 24 PHE HZ H 6.869 0.0 . 276 . 24 PHE N N 120.348 0.0 . 277 . 24 PHE HD1 H 6.892 0.0 . 278 . 24 PHE HE1 H 6.75 0.0 . 279 . 25 GLU C C 175.763 0.0 . 280 . 25 GLU CA C 55.225 0.0 . 281 . 25 GLU CB C 31.805 0.0 . 282 . 25 GLU CG C 37.07 0.0 . 283 . 25 GLU HA H 4.731 0.0 . 284 . 25 GLU HB2 H 1.837 0.0 . 285 . 25 GLU HB3 H 2.111 0.0 . 286 . 25 GLU HG2 H 1.802 0.0 . 287 . 25 GLU HG3 H 2.021 0.0 . 288 . 25 GLU H H 9.528 0.0 . 289 . 25 GLU N N 124.441 0.0 . 290 . 26 ILE C C 174.401 0.0 . 291 . 26 ILE CA C 61.581 0.0 . 292 . 26 ILE CB C 39.585 0.0 . 293 . 26 ILE CD1 C 14.579 0.0 . 294 . 26 ILE CG1 C 28.197 0.0 . 295 . 26 ILE CG2 C 18.015 0.0 . 296 . 26 ILE HA H 4.575 0.0 . 297 . 26 ILE HB H 1.082 0.0 . 298 . 26 ILE HD1 H 0.428 0.0 . 299 . 26 ILE HG12 H 0.789 0.0 . 300 . 26 ILE HG13 H 1.292 0.0 . 301 . 26 ILE HG2 H 0.697 0.0 . 302 . 26 ILE H H 9.208 0.0 . 303 . 26 ILE N N 132.619 0.0 . 304 . 27 THR C C 174.46 0.0 . 305 . 27 THR CA C 61.068 0.0 . 306 . 27 THR CB C 69.739 0.0 . 307 . 27 THR CG2 C 20.862 0.0 . 308 . 27 THR HA H 5.508 0.0 . 309 . 27 THR HB H 4.03 0.0 . 310 . 27 THR HG2 H 0.0 0.0 . 311 . 27 THR H H 8.818 0.0 . 312 . 27 THR N N 122.402 0.0 . 313 . 28 PHE C C 170.796 0.0 . 314 . 28 PHE CA C 55.225 0.0 . 315 . 28 PHE CB C 42.647 0.0 . 316 . 28 PHE CD1 C 132.978 0.0 . 317 . 28 PHE HA H 5.627 0.0 . 318 . 28 PHE HB2 H 3.077 0.0 . 319 . 28 PHE HB3 H 3.426 0.0 . 320 . 28 PHE H H 9.671 0.0 . 321 . 28 PHE HZ H 7.052 0.0 . 322 . 28 PHE N N 124.876 0.0 . 323 . 28 PHE HD1 H 7.194 0.0 . 324 . 28 PHE HE1 H 6.915 0.0 . 325 . 29 GLU C C 175.365 0.0 . 326 . 29 GLU CA C 54.006 0.0 . 327 . 29 GLU CB C 33.463 0.0 . 328 . 29 GLU CG C 36.138 0.0 . 329 . 29 GLU HA H 5.296 0.0 . 330 . 29 GLU HB2 H 1.946 0.0 . 331 . 29 GLU HB3 H 1.958 0.0 . 332 . 29 GLU HG2 H 2.01 0.0 . 333 . 29 GLU HG3 H 2.107 0.0 . 334 . 29 GLU H H 9.491 0.0 . 335 . 29 GLU N N 120.115 0.0 . 336 . 30 CYS C C 176.209 0.0 . 337 . 30 CYS CA C 55.7 0.0 . 338 . 30 CYS CB C 28.872 0.0 . 339 . 30 CYS HA H 5.568 0.0 . 340 . 30 CYS HB2 H 2.879 0.0 . 341 . 30 CYS HB3 H 3.239 0.0 . 342 . 30 CYS H H 9.191 0.0 . 343 . 30 CYS N N 123.763 0.0 . 344 . 31 ILE C C 174.676 0.0 . 345 . 31 ILE CA C 62.293 0.0 . 346 . 31 ILE CB C 38.198 0.0 . 347 . 31 ILE CD1 C 12.939 0.0 . 348 . 31 ILE CG1 C 27.359 0.0 . 349 . 31 ILE CG2 C 17.927 0.0 . 350 . 31 ILE HA H 4.165 0.0 . 351 . 31 ILE HB H 1.94 0.0 . 352 . 31 ILE HD1 H 0.702 0.0 . 353 . 31 ILE HG12 H 1.19 0.0 . 354 . 31 ILE HG13 H 1.304 0.0 . 355 . 31 ILE HG2 H 0.859 0.0 . 356 . 31 ILE H H 8.864 0.0 . 357 . 31 ILE N N 124.799 0.0 . 358 . 32 GLU C C 172.703 0.0 . 359 . 32 GLU CA C 54.199 0.0 . 360 . 32 GLU CB C 34.024 0.0 . 361 . 32 GLU CG C 36.067 0.0 . 362 . 32 GLU HA H 4.491 0.0 . 363 . 32 GLU HB2 H 1.751 0.0 . 364 . 32 GLU HB3 H 1.978 0.0 . 365 . 32 GLU HG2 H 2.123 0.0 . 366 . 32 GLU HG3 H 2.119 0.0 . 367 . 32 GLU H H 7.422 0.0 . 368 . 32 GLU N N 118.231 0.0 . 369 . 33 ASP C C 176.345 0.0 . 370 . 33 ASP CA C 54.948 0.0 . 371 . 33 ASP CB C 40.748 0.0 . 372 . 33 ASP HA H 4.532 0.0 . 373 . 33 ASP HB2 H 2.578 0.0 . 374 . 33 ASP HB3 H 2.74 0.0 . 375 . 33 ASP H H 8.329 0.0 . 376 . 33 ASP N N 119.261 0.0 . 377 . 34 LEU C C 178.087 0.0 . 378 . 34 LEU CA C 53.787 0.0 . 379 . 34 LEU CB C 42.829 0.0 . 380 . 34 LEU CD1 C 25.978 0.0 . 381 . 34 LEU CD2 C 22.867 0.0 . 382 . 34 LEU CG C 26.347 0.0 . 383 . 34 LEU HA H 4.732 0.0 . 384 . 34 LEU HB2 H 1.976 0.0 . 385 . 34 LEU HB3 H 2.05 0.0 . 386 . 34 LEU HD1 H 0.799 0.0 . 387 . 34 LEU HD2 H 0.714 0.0 . 388 . 34 LEU HG H 2.007 0.0 . 389 . 34 LEU H H 8.632 0.0 . 390 . 34 LEU N N 123.135 0.0 . 391 . 35 SER C C 174.373 0.0 . 392 . 35 SER CA C 58.776 0.0 . 393 . 35 SER CB C 63.418 0.0 . 394 . 35 SER HA H 4.532 0.0 . 395 . 35 SER HB2 H 3.977 0.0 . 396 . 35 SER HB3 H 3.95 0.0 . 397 . 35 SER H H 8.515 0.0 . 398 . 35 SER N N 117.211 0.0 . 399 . 36 GLU C C 174.278 0.0 . 400 . 36 GLU CA C 54.721 0.0 . 401 . 36 GLU CB C 31.445 0.0 . 402 . 36 GLU CG C 36.346 0.0 . 403 . 36 GLU HA H 4.616 0.0 . 404 . 36 GLU HB2 H 1.758 0.0 . 405 . 36 GLU HB3 H 2.164 0.0 . 406 . 36 GLU HG2 H 2.118 0.0 . 407 . 36 GLU HG3 H 2.191 0.0 . 408 . 36 GLU H H 7.684 0.0 . 409 . 36 GLU N N 120.624 0.0 . 410 . 37 ASP C C 176.718 0.0 . 411 . 37 ASP CA C 54.533 0.0 . 412 . 37 ASP CB C 42.628 0.0 . 413 . 37 ASP HA H 4.805 0.0 . 414 . 37 ASP HB2 H 2.321 0.0 . 415 . 37 ASP HB3 H 2.392 0.0 . 416 . 37 ASP H H 7.957 0.0 . 417 . 37 ASP N N 117.025 0.0 . 418 . 38 LEU C C 175.545 0.0 . 419 . 38 LEU CA C 53.284 0.0 . 420 . 38 LEU CB C 44.972 0.0 . 421 . 38 LEU CD1 C 26.465 0.0 . 422 . 38 LEU CD2 C 23.391 0.0 . 423 . 38 LEU CG C 26.836 0.0 . 424 . 38 LEU HA H 4.942 0.0 . 425 . 38 LEU HB2 H 0.882 0.0 . 426 . 38 LEU HB3 H 1.69 0.0 . 427 . 38 LEU HD1 H 1.812 0.0 . 428 . 38 LEU HD2 H 1.011 0.0 . 429 . 38 LEU HG H 0.737 0.0 . 430 . 38 LEU H H 8.638 0.0 . 431 . 38 LEU N N 118.352 0.0 . 432 . 39 GLU C C 175.13 0.0 . 433 . 39 GLU CA C 54.512 0.0 . 434 . 39 GLU CB C 31.98 0.0 . 435 . 39 GLU CG C 36.42 0.0 . 436 . 39 GLU HA H 5.17 0.0 . 437 . 39 GLU HB2 H 1.571 0.0 . 438 . 39 GLU HB3 H 2.012 0.0 . 439 . 39 GLU HG2 H 1.757 0.0 . 440 . 39 GLU HG3 H 1.996 0.0 . 441 . 39 GLU H H 8.255 0.0 . 442 . 39 GLU N N 122.235 0.0 . 443 . 40 TRP C C 175.615 0.0 . 444 . 40 TRP CA C 55.141 0.0 . 445 . 40 TRP CB C 30.626 0.0 . 446 . 40 TRP CD1 C 126.704 0.0 . 447 . 40 TRP CE3 C 121.022 0.0 . 448 . 40 TRP CH2 C 124.691 0.0 . 449 . 40 TRP CZ2 C 114.431 0.0 . 450 . 40 TRP CZ3 C 121.097 0.0 . 451 . 40 TRP HA H 5.527 0.0 . 452 . 40 TRP HB2 H 2.814 0.0 . 453 . 40 TRP HB3 H 3.205 0.0 . 454 . 40 TRP HD1 H 6.685 0.0 . 455 . 40 TRP HE1 H 7.203 0.0 . 456 . 40 TRP HE3 H 7.449 0.0 . 457 . 40 TRP HH2 H 6.75 0.0 . 458 . 40 TRP H H 9.464 0.0 . 459 . 40 TRP HZ2 H 6.064 0.0 . 460 . 40 TRP HZ3 H 6.625 0.0 . 461 . 40 TRP N N 131.974 0.0 . 462 . 40 TRP NE1 N 122.679 0.0 . 463 . 41 LYS C C 175.249 0.0 . 464 . 41 LYS CA C 55.651 0.0 . 465 . 41 LYS CB C 37.552 0.0 . 466 . 41 LYS CD C 29.691 0.0 . 467 . 41 LYS CE C 41.524 0.0 . 468 . 41 LYS CG C 25.427 0.0 . 469 . 41 LYS HA H 5.6 0.0 . 470 . 41 LYS HB2 H 1.699 0.0 . 471 . 41 LYS HB3 H 1.865 0.0 . 472 . 41 LYS HD2 H 1.429 0.0 . 473 . 41 LYS HD3 H 1.541 0.0 . 474 . 41 LYS HE2 H 2.785 0.0 . 475 . 41 LYS HE3 H 2.785 0.0 . 476 . 41 LYS HG2 H 1.431 0.0 . 477 . 41 LYS HG3 H 1.502 0.0 . 478 . 41 LYS H H 8.979 0.0 . 479 . 41 LYS N N 120.368 0.0 . 480 . 42 ILE C C 175.102 0.0 . 481 . 42 ILE CA C 59.588 0.0 . 482 . 42 ILE CB C 40.348 0.0 . 483 . 42 ILE CD1 C 13.201 0.0 . 484 . 42 ILE CG1 C 28.705 0.0 . 485 . 42 ILE CG2 C 18.393 0.0 . 486 . 42 ILE HA H 5.211 0.0 . 487 . 42 ILE HB H 1.031 0.0 . 488 . 42 ILE HD1 H -0.106 0.0 . 489 . 42 ILE HG12 H 0.435 0.0 . 490 . 42 ILE HG13 H 1.029 0.0 . 491 . 42 ILE HG2 H 0.448 0.0 . 492 . 42 ILE H H 7.482 0.0 . 493 . 42 ILE N N 119.337 0.0 . 494 . 43 ILE C C 173.506 0.0 . 495 . 43 ILE CA C 59.67 0.0 . 496 . 43 ILE CB C 41.992 0.0 . 497 . 43 ILE CD1 C 14.54 0.0 . 498 . 43 ILE CG1 C 28.304 0.0 . 499 . 43 ILE CG2 C 17.173 0.0 . 500 . 43 ILE HA H 4.823 0.0 . 501 . 43 ILE HB H 1.595 0.0 . 502 . 43 ILE HD1 H 0.734 0.0 . 503 . 43 ILE HG12 H 0.98 0.0 . 504 . 43 ILE HG13 H 1.425 0.0 . 505 . 43 ILE HG2 H 0.692 0.0 . 506 . 43 ILE H H 9.4 0.0 . 507 . 43 ILE N N 128.24 0.0 . 508 . 44 TYR C C 174.037 0.0 . 509 . 44 TYR CA C 57.705 0.0 . 510 . 44 TYR CB C 42.221 0.0 . 511 . 44 TYR CD1 C 132.717 0.0 . 512 . 44 TYR CE1 C 118.506 0.0 . 513 . 44 TYR HA H 4.743 0.0 . 514 . 44 TYR HB2 H 2.653 0.0 . 515 . 44 TYR HB3 H 3.011 0.0 . 516 . 44 TYR H H 9.6 0.0 . 517 . 44 TYR N N 128.226 0.0 . 518 . 44 TYR HD1 H 6.863 0.0 . 519 . 44 TYR HE1 H 6.841 0.0 . 520 . 45 VAL C C 175.189 0.0 . 521 . 45 VAL CA C 62.059 0.0 . 522 . 45 VAL CB C 31.331 0.0 . 523 . 45 VAL CG1 C 20.611 0.0 . 524 . 45 VAL CG2 C 20.648 0.0 . 525 . 45 VAL HA H 4.084 0.0 . 526 . 45 VAL HB H 2.059 0.0 . 527 . 45 VAL HG1 H 0.829 0.0 . 528 . 45 VAL HG2 H 0.702 0.0 . 529 . 45 VAL H H 8.035 0.0 . 530 . 45 VAL N N 130.737 0.0 . 531 . 46 GLY C C 173.158 0.0 . 532 . 46 GLY CA C 46.835 0.0 . 533 . 46 GLY HA2 H 4.04 0.0 . 534 . 46 GLY HA3 H 4.212 0.0 . 535 . 46 GLY H H 7.526 0.0 . 536 . 46 GLY N N 115.513 0.0 . 537 . 47 SER C C 174.429 0.0 . 538 . 47 SER CA C 56.772 0.0 . 539 . 47 SER CB C 65.478 0.0 . 540 . 47 SER HA H 4.586 0.0 . 541 . 47 SER HB2 H 3.581 0.0 . 542 . 47 SER HB3 H 3.712 0.0 . 543 . 47 SER H H 8.409 0.0 . 544 . 47 SER N N 111.088 0.0 . 545 . 48 ALA C C 178.459 0.0 . 546 . 48 ALA CA C 53.557 0.0 . 547 . 48 ALA CB C 18.802 0.0 . 548 . 48 ALA HA H 4.172 0.0 . 549 . 48 ALA HB H 1.492 0.0 . 550 . 48 ALA H H 8.746 0.0 . 551 . 48 ALA N N 129.396 0.0 . 552 . 49 GLU C C 176.685 0.0 . 553 . 49 GLU CA C 57.172 0.0 . 554 . 49 GLU CB C 30.626 0.0 . 555 . 49 GLU CG C 36.28 0.0 . 556 . 49 GLU HA H 4.207 0.0 . 557 . 49 GLU HB2 H 1.964 0.0 . 558 . 49 GLU HB3 H 2.149 0.0 . 559 . 49 GLU HG2 H 2.256 0.0 . 560 . 49 GLU HG3 H 2.29 0.0 . 561 . 49 GLU H H 8.268 0.0 . 562 . 49 GLU N N 115.417 0.0 . 563 . 50 SER C C 174.002 0.0 . 564 . 50 SER CA C 57.019 0.0 . 565 . 50 SER CB C 64.262 0.0 . 566 . 50 SER HA H 4.694 0.0 . 567 . 50 SER HB2 H 3.744 0.0 . 568 . 50 SER HB3 H 4.101 0.0 . 569 . 50 SER H H 7.328 0.0 . 570 . 50 SER N N 110.645 0.0 . 571 . 51 GLU C C 177.379 0.0 . 572 . 51 GLU CA C 56.833 0.0 . 573 . 51 GLU CB C 29.445 0.0 . 574 . 51 GLU CG C 35.828 0.0 . 575 . 51 GLU HA H 4.453 0.0 . 576 . 51 GLU HB2 H 2.054 0.0 . 577 . 51 GLU HB3 H 2.126 0.0 . 578 . 51 GLU HG2 H 2.294 0.0 . 579 . 51 GLU HG3 H 2.316 0.0 . 580 . 51 GLU H H 8.972 0.0 . 581 . 51 GLU N N 124.98 0.0 . 582 . 52 GLU C C 176.322 0.0 . 583 . 52 GLU CA C 57.891 0.0 . 584 . 52 GLU CB C 29.257 0.0 . 585 . 52 GLU CG C 36.09 0.0 . 586 . 52 GLU HA H 4.004 0.0 . 587 . 52 GLU HB2 H 1.611 0.0 . 588 . 52 GLU HB3 H 1.619 0.0 . 589 . 52 GLU HG2 H 1.877 0.0 . 590 . 52 GLU HG3 H 1.875 0.0 . 591 . 52 GLU H H 8.455 0.0 . 592 . 52 GLU N N 120.519 0.0 . 593 . 53 TYR C C 175.992 0.0 . 594 . 53 TYR CA C 56.844 0.0 . 595 . 53 TYR CB C 37.525 0.0 . 596 . 53 TYR CD1 C 133.752 0.0 . 597 . 53 TYR CE1 C 118.46 0.0 . 598 . 53 TYR HA H 4.784 0.0 . 599 . 53 TYR HB2 H 3.003 0.0 . 600 . 53 TYR HB3 H 3.471 0.0 . 601 . 53 TYR H H 7.262 0.0 . 602 . 53 TYR N N 115.807 0.0 . 603 . 53 TYR HD1 H 7.229 0.0 . 604 . 53 TYR HE1 H 6.826 0.0 . 605 . 54 ASP C C 177.183 0.0 . 606 . 54 ASP CA C 54.762 0.0 . 607 . 54 ASP CB C 39.662 0.0 . 608 . 54 ASP HA H 5.086 0.0 . 609 . 54 ASP HB2 H 2.263 0.0 . 610 . 54 ASP HB3 H 2.734 0.0 . 611 . 54 ASP H H 7.656 0.0 . 612 . 54 ASP N N 123.908 0.0 . 613 . 55 GLN C C 174.809 0.0 . 614 . 55 GLN CA C 54.413 0.0 . 615 . 55 GLN CB C 31.941 0.0 . 616 . 55 GLN CG C 33.63 0.0 . 617 . 55 GLN HA H 4.798 0.0 . 618 . 55 GLN HB2 H 1.969 0.0 . 619 . 55 GLN HB3 H 2.169 0.0 . 620 . 55 GLN HE21 H 9.001 0.0 . 621 . 55 GLN HE22 H 6.827 0.0 . 622 . 55 GLN HG2 H 2.392 0.0 . 623 . 55 GLN HG3 H 2.637 0.0 . 624 . 55 GLN H H 9.438 0.0 . 625 . 55 GLN N N 121.339 0.0 . 626 . 55 GLN NE2 N 114.525 0.0 . 627 . 56 VAL C C 176.677 0.0 . 628 . 56 VAL CA C 62.703 0.0 . 629 . 56 VAL CB C 30.61 0.0 . 630 . 56 VAL CG1 C 21.058 0.0 . 631 . 56 VAL CG2 C 21.261 0.0 . 632 . 56 VAL HA H 4.253 0.0 . 633 . 56 VAL HB H 2.135 0.0 . 634 . 56 VAL HG1 H 0.978 0.0 . 635 . 56 VAL HG2 H 0.838 0.0 . 636 . 56 VAL H H 9.085 0.0 . 637 . 56 VAL N N 126.456 0.0 . 638 . 57 LEU C C 177.94 0.0 . 639 . 57 LEU CA C 56.691 0.0 . 640 . 57 LEU CB C 40.719 0.0 . 641 . 57 LEU CD1 C 26.31 0.0 . 642 . 57 LEU CD2 C 21.673 0.0 . 643 . 57 LEU CG C 26.822 0.0 . 644 . 57 LEU HA H 4.244 0.0 . 645 . 57 LEU HB2 H 1.415 0.0 . 646 . 57 LEU HB3 H 1.814 0.0 . 647 . 57 LEU HD1 H 0.811 0.0 . 648 . 57 LEU HD2 H 0.658 0.0 . 649 . 57 LEU HG H 1.627 0.0 . 650 . 57 LEU H H 9.159 0.0 . 651 . 57 LEU N N 130.541 0.0 . 652 . 58 ASP C C 174.24 0.0 . 653 . 58 ASP CA C 53.879 0.0 . 654 . 58 ASP CB C 44.293 0.0 . 655 . 58 ASP HA H 4.839 0.0 . 656 . 58 ASP HB2 H 2.609 0.0 . 657 . 58 ASP HB3 H 3.084 0.0 . 658 . 58 ASP H H 7.525 0.0 . 659 . 58 ASP N N 111.652 0.0 . 660 . 59 SER C C 173.26 0.0 . 661 . 59 SER CA C 56.475 0.0 . 662 . 59 SER CB C 65.412 0.0 . 663 . 59 SER HA H 5.85 0.0 . 664 . 59 SER HB2 H 3.749 0.0 . 665 . 59 SER HB3 H 3.747 0.0 . 666 . 59 SER H H 8.989 0.0 . 667 . 59 SER N N 113.556 0.0 . 668 . 60 VAL C C 173.288 0.0 . 669 . 60 VAL CA C 60.439 0.0 . 670 . 60 VAL CB C 35.772 0.0 . 671 . 60 VAL CG1 C 20.981 0.0 . 672 . 60 VAL CG2 C 20.534 0.0 . 673 . 60 VAL HA H 4.562 0.0 . 674 . 60 VAL HB H 1.749 0.0 . 675 . 60 VAL HG1 H 0.717 0.0 . 676 . 60 VAL HG2 H 0.608 0.0 . 677 . 60 VAL H H 9.28 0.0 . 678 . 60 VAL N N 122.779 0.0 . 679 . 61 LEU C C 177.314 0.0 . 680 . 61 LEU CA C 53.248 0.0 . 681 . 61 LEU CB C 42.85 0.0 . 682 . 61 LEU CD1 C 24.976 0.0 . 683 . 61 LEU CD2 C 23.702 0.0 . 684 . 61 LEU CG C 27.334 0.0 . 685 . 61 LEU HA H 5.344 0.0 . 686 . 61 LEU HB2 H 1.388 0.0 . 687 . 61 LEU HB3 H 1.661 0.0 . 688 . 61 LEU HD1 H 0.866 0.0 . 689 . 61 LEU HD2 H 0.815 0.0 . 690 . 61 LEU HG H 1.628 0.0 . 691 . 61 LEU H H 8.344 0.0 . 692 . 61 LEU N N 126.985 0.0 . 693 . 62 VAL C C 173.877 0.0 . 694 . 62 VAL CA C 60.754 0.0 . 695 . 62 VAL CB C 35.11 0.0 . 696 . 62 VAL CG1 C 20.577 0.0 . 697 . 62 VAL CG2 C 20.812 0.0 . 698 . 62 VAL HA H 4.272 0.0 . 699 . 62 VAL HB H 1.738 0.0 . 700 . 62 VAL HG1 H 0.747 0.0 . 701 . 62 VAL HG2 H 0.389 0.0 . 702 . 62 VAL H H 9.164 0.0 . 703 . 62 VAL N N 123.989 0.0 . 704 . 63 GLY CA C 44.959 0.0 . 705 . 63 GLY HA2 H 4.658 0.0 . 706 . 63 GLY HA3 H 3.654 0.0 . 707 . 63 GLY H H 8.108 0.0 . 708 . 63 GLY N N 113.504 0.0 . 709 . 64 PRO C C 176.662 0.0 . 710 . 64 PRO CA C 62.365 0.0 . 711 . 64 PRO CB C 34.584 0.0 . 712 . 64 PRO CD C 50.086 0.0 . 713 . 64 PRO CG C 25.164 0.0 . 714 . 64 PRO HA H 4.586 0.0 . 715 . 64 PRO HB2 H 2.083 0.0 . 716 . 64 PRO HB3 H 2.448 0.0 . 717 . 64 PRO HD2 H 3.61 0.0 . 718 . 64 PRO HG2 H 1.885 0.0 . 719 . 64 PRO HG3 H 1.889 0.0 . 720 . 65 VAL CA C 58.981 0.0 . 721 . 65 VAL CB C 33.194 0.0 . 722 . 65 VAL CG1 C 21.341 0.0 . 723 . 65 VAL CG2 C 23.25 0.0 . 724 . 65 VAL HA H 4.524 0.0 . 725 . 65 VAL HB H 2.202 0.0 . 726 . 65 VAL HG1 H 0.994 0.0 . 727 . 65 VAL HG2 H 0.845 0.0 . 728 . 65 VAL H H 8.706 0.0 . 729 . 65 VAL N N 121.788 0.0 . 730 . 66 PRO CA C 61.153 0.0 . 731 . 66 PRO CB C 32.914 0.0 . 732 . 66 PRO CD C 50.5 0.0 . 733 . 66 PRO CG C 26.906 0.0 . 734 . 66 PRO HA H 4.735 0.0 . 735 . 66 PRO HB2 H 2.063 0.0 . 736 . 66 PRO HB3 H 2.324 0.0 . 737 . 66 PRO HD2 H 3.625 0.0 . 738 . 66 PRO HD3 H 3.706 0.0 . 739 . 66 PRO HG3 H 2.033 0.0 . 740 . 67 ALA C C 177.38 0.0 . 741 . 67 ALA CA C 52.714 0.0 . 742 . 67 ALA CB C 18.193 0.0 . 743 . 67 ALA HA H 3.91 0.0 . 744 . 67 ALA HB H 1.184 0.0 . 745 . 67 ALA H H 8.999 0.0 . 746 . 67 ALA N N 122.636 0.0 . 747 . 68 GLY C C 171.277 0.0 . 748 . 68 GLY CA C 43.491 0.0 . 749 . 68 GLY HA2 H 4.325 0.0 . 750 . 68 GLY HA3 H 3.715 0.0 . 751 . 68 GLY H H 8.869 0.0 . 752 . 68 GLY N N 109.618 0.0 . 753 . 69 ARG C C 174.717 0.0 . 754 . 69 ARG CA C 55.172 0.0 . 755 . 69 ARG CB C 31.483 0.0 . 756 . 69 ARG CD C 43.32 0.0 . 757 . 69 ARG CG C 27.606 0.0 . 758 . 69 ARG HA H 4.641 0.0 . 759 . 69 ARG HB2 H 1.573 0.0 . 760 . 69 ARG HB3 H 1.563 0.0 . 761 . 69 ARG HD2 H 3.044 0.0 . 762 . 69 ARG HD3 H 3.036 0.0 . 763 . 69 ARG HG2 H 1.337 0.0 . 764 . 69 ARG HG3 H 1.418 0.0 . 765 . 69 ARG H H 8.078 0.0 . 766 . 69 ARG N N 120.464 0.0 . 767 . 70 HIS C C 172.832 0.0 . 768 . 70 HIS CA C 55.137 0.0 . 769 . 70 HIS CB C 35.388 0.0 . 770 . 70 HIS CD2 C 118.74 0.0 . 771 . 70 HIS HA H 4.63 0.0 . 772 . 70 HIS HB2 H 1.132 0.0 . 773 . 70 HIS HB3 H 2.45 0.0 . 774 . 70 HIS HD2 H 6.356 0.0 . 775 . 70 HIS HE2 H 7.206 0.0 . 776 . 70 HIS H H 8.942 0.0 . 777 . 70 HIS N N 124.811 0.0 . 778 . 71 MET C C 175.525 0.0 . 779 . 71 MET CA C 54.002 0.0 . 780 . 71 MET CB C 36.367 0.0 . 781 . 71 MET CE C 16.936 0.0 . 782 . 71 MET CG C 31.731 0.0 . 783 . 71 MET HA H 5.859 0.0 . 784 . 71 MET HB2 H 1.943 0.0 . 785 . 71 MET HE H 0.0 0.0 . 786 . 71 MET HG2 H 2.402 0.0 . 787 . 71 MET HG3 H 2.402 0.0 . 788 . 71 MET H H 8.445 0.0 . 789 . 71 MET N N 120.521 0.0 . 790 . 72 PHE C C 171.758 0.0 . 791 . 72 PHE CA C 56.003 0.0 . 792 . 72 PHE CB C 41.461 0.0 . 793 . 72 PHE CD1 C 131.827 0.0 . 794 . 72 PHE CE1 C 130.148 0.0 . 795 . 72 PHE CZ C 128.756 0.0 . 796 . 72 PHE HA H 4.948 0.0 . 797 . 72 PHE HB2 H 3.029 0.0 . 798 . 72 PHE HB3 H 3.192 0.0 . 799 . 72 PHE H H 9.177 0.0 . 800 . 72 PHE HZ H 5.121 0.0 . 801 . 72 PHE N N 123.999 0.0 . 802 . 72 PHE HD1 H 6.901 0.0 . 803 . 72 PHE HE1 H 6.17 0.0 . 804 . 73 VAL C C 174.48 0.0 . 805 . 73 VAL CA C 61.023 0.0 . 806 . 73 VAL CB C 32.301 0.0 . 807 . 73 VAL CG1 C 21.422 0.0 . 808 . 73 VAL CG2 C 20.92 0.0 . 809 . 73 VAL HA H 4.578 0.0 . 810 . 73 VAL HB H 1.948 0.0 . 811 . 73 VAL HG1 H 0.891 0.0 . 812 . 73 VAL HG2 H 0.737 0.0 . 813 . 73 VAL H H 8.539 0.0 . 814 . 73 VAL N N 121.455 0.0 . 815 . 74 PHE C C 173.441 0.0 . 816 . 74 PHE CA C 52.485 0.0 . 817 . 74 PHE CB C 39.545 0.0 . 818 . 74 PHE CD1 C 129.367 0.0 . 819 . 74 PHE CE1 C 132.294 0.0 . 820 . 74 PHE CZ C 128.93 0.0 . 821 . 74 PHE HA H 5.099 0.0 . 822 . 74 PHE HB2 H 2.538 0.0 . 823 . 74 PHE HB3 H 3.291 0.0 . 824 . 74 PHE H H 9.286 0.0 . 825 . 74 PHE HZ H 7.035 0.0 . 826 . 74 PHE N N 132.009 0.0 . 827 . 74 PHE HD1 H 7.081 0.0 . 828 . 74 PHE HE1 H 7.253 0.0 . 829 . 75 GLN C C 174.064 0.0 . 830 . 75 GLN CA C 52.987 0.0 . 831 . 75 GLN CB C 31.708 0.0 . 832 . 75 GLN CG C 34.278 0.0 . 833 . 75 GLN HA H 5.597 0.0 . 834 . 75 GLN HB2 H 1.972 0.0 . 835 . 75 GLN HB3 H 1.984 0.0 . 836 . 75 GLN HE21 H 7.538 0.0 . 837 . 75 GLN HE22 H 6.718 0.0 . 838 . 75 GLN HG2 H 2.26 0.0 . 839 . 75 GLN HG3 H 2.258 0.0 . 840 . 75 GLN H H 8.807 0.0 . 841 . 75 GLN N N 127.278 0.0 . 842 . 75 GLN NE2 N 111.704 0.0 . 843 . 76 ALA C C 174.822 0.0 . 844 . 76 ALA CA C 50.28 0.0 . 845 . 76 ALA CB C 24.642 0.0 . 846 . 76 ALA HA H 4.822 0.0 . 847 . 76 ALA HB H 1.117 0.0 . 848 . 76 ALA H H 8.386 0.0 . 849 . 76 ALA N N 124.525 0.0 . 850 . 77 ASP C C 173.494 0.0 . 851 . 77 ASP CA C 54.681 0.0 . 852 . 77 ASP CB C 41.186 0.0 . 853 . 77 ASP HA H 4.375 0.0 . 854 . 77 ASP HB2 H 2.655 0.0 . 855 . 77 ASP HB3 H 2.79 0.0 . 856 . 77 ASP H H 8.574 0.0 . 857 . 77 ASP N N 121.353 0.0 . 858 . 78 ALA C C 174.469 0.0 . 859 . 78 ALA CA C 50.769 0.0 . 860 . 78 ALA CB C 17.231 0.0 . 861 . 78 ALA HA H 3.992 0.0 . 862 . 78 ALA HB H 1.064 0.0 . 863 . 78 ALA H H 7.983 0.0 . 864 . 78 ALA N N 117.674 0.0 . 865 . 79 PRO C C 174.367 0.0 . 866 . 79 PRO CA C 61.506 0.0 . 867 . 79 PRO CB C 32.895 0.0 . 868 . 79 PRO CD C 50.326 0.0 . 869 . 79 PRO CG C 26.106 0.0 . 870 . 79 PRO HA H 4.003 0.0 . 871 . 79 PRO HB2 H 1.385 0.0 . 872 . 79 PRO HB3 H 1.531 0.0 . 873 . 79 PRO HD2 H 3.098 0.0 . 874 . 79 PRO HD3 H 3.089 0.0 . 875 . 79 PRO HG2 H 0.422 0.0 . 876 . 79 PRO HG3 H 0.97 0.0 . 877 . 80 ASN C C 176.468 0.0 . 878 . 80 ASN CA C 50.073 0.0 . 879 . 80 ASN CB C 39.02 0.0 . 880 . 80 ASN HA H 4.856 0.0 . 881 . 80 ASN HB2 H 2.94 0.0 . 882 . 80 ASN HB3 H 2.934 0.0 . 883 . 80 ASN HD21 H 7.912 0.0 . 884 . 80 ASN HD22 H 7.058 0.0 . 885 . 80 ASN H H 8.874 0.0 . 886 . 80 ASN N N 118.923 0.0 . 887 . 80 ASN ND2 N 111.859 0.0 . 888 . 81 PRO C C 178.056 0.0 . 889 . 81 PRO CA C 64.271 0.0 . 890 . 81 PRO CB C 30.712 0.0 . 891 . 81 PRO CD C 51.239 0.0 . 892 . 81 PRO CG C 26.826 0.0 . 893 . 81 PRO HA H 3.728 0.0 . 894 . 81 PRO HB2 H 0.686 0.0 . 895 . 81 PRO HB3 H 1.087 0.0 . 896 . 81 PRO HD2 H 3.936 0.0 . 897 . 81 PRO HD3 H 4.318 0.0 . 898 . 81 PRO HG2 H 1.621 0.0 . 899 . 81 PRO HG3 H 1.867 0.0 . 900 . 82 GLY C C 174.595 0.0 . 901 . 82 GLY CA C 45.788 0.0 . 902 . 82 GLY HA2 H 3.974 0.0 . 903 . 82 GLY HA3 H 3.722 0.0 . 904 . 82 GLY H H 8.206 0.0 . 905 . 82 GLY N N 104.674 0.0 . 906 . 83 LEU C C 176.676 0.0 . 907 . 83 LEU CA C 53.534 0.0 . 908 . 83 LEU CB C 42.788 0.0 . 909 . 83 LEU CD1 C 25.313 0.0 . 910 . 83 LEU CD2 C 22.267 0.0 . 911 . 83 LEU CG C 27.226 0.0 . 912 . 83 LEU HA H 4.65 0.0 . 913 . 83 LEU HB2 H 1.653 0.0 . 914 . 83 LEU HB3 H 2.027 0.0 . 915 . 83 LEU HD1 H 0.959 0.0 . 916 . 83 LEU HD2 H 0.908 0.0 . 917 . 83 LEU HG H 1.474 0.0 . 918 . 83 LEU H H 7.126 0.0 . 919 . 83 LEU N N 118.17 0.0 . 920 . 84 ILE C C 173.877 0.0 . 921 . 84 ILE CA C 58.675 0.0 . 922 . 84 ILE CB C 39.927 0.0 . 923 . 84 ILE CD1 C 14.223 0.0 . 924 . 84 ILE CG1 C 27.45 0.0 . 925 . 84 ILE CG2 C 15.974 0.0 . 926 . 84 ILE HA H 4.469 0.0 . 927 . 84 ILE HB H 2.013 0.0 . 928 . 84 ILE HD1 H 1.023 0.0 . 929 . 84 ILE HG12 H 1.189 0.0 . 930 . 84 ILE HG13 H 1.73 0.0 . 931 . 84 ILE HG2 H 1.14 0.0 . 932 . 84 ILE H H 7.349 0.0 . 933 . 84 ILE N N 123.51 0.0 . 934 . 85 PRO C C 177.812 0.0 . 935 . 85 PRO CA C 63.011 0.0 . 936 . 85 PRO CD C 50.873 0.0 . 937 . 85 PRO HA H 4.286 0.0 . 938 . 85 PRO HB2 H 1.985 0.0 . 939 . 85 PRO HB3 H 2.086 0.0 . 940 . 85 PRO HD2 H 3.458 0.0 . 941 . 85 PRO HD3 H 3.688 0.0 . 942 . 85 PRO HG2 H 1.99 0.0 . 943 . 85 PRO HG3 H 2.048 0.0 . 944 . 86 ASP C C 178.482 0.0 . 945 . 86 ASP CA C 57.809 0.0 . 946 . 86 ASP CB C 40.318 0.0 . 947 . 86 ASP HA H 4.264 0.0 . 948 . 86 ASP HB2 H 2.613 0.0 . 949 . 86 ASP HB3 H 2.782 0.0 . 950 . 86 ASP H H 8.468 0.0 . 951 . 86 ASP N N 124.073 0.0 . 952 . 87 ALA C C 178.329 0.0 . 953 . 87 ALA CA C 53.972 0.0 . 954 . 87 ALA CB C 18.663 0.0 . 955 . 87 ALA HA H 4.14 0.0 . 956 . 87 ALA HB H 1.398 0.0 . 957 . 87 ALA H H 8.588 0.0 . 958 . 87 ALA N N 117.866 0.0 . 959 . 88 ASP C C 176.72 0.0 . 960 . 88 ASP CA C 54.533 0.0 . 961 . 88 ASP CB C 43.354 0.0 . 962 . 88 ASP HA H 4.852 0.0 . 963 . 88 ASP HB2 H 2.481 0.0 . 964 . 88 ASP HB3 H 3.078 0.0 . 965 . 88 ASP H H 7.55 0.0 . 966 . 88 ASP N N 114.791 0.0 . 967 . 89 ALA C C 176.373 0.0 . 968 . 89 ALA CA C 55.144 0.0 . 969 . 89 ALA CB C 20.386 0.0 . 970 . 89 ALA HA H 3.965 0.0 . 971 . 89 ALA HB H 1.244 0.0 . 972 . 89 ALA H H 7.276 0.0 . 973 . 89 ALA N N 122.633 0.0 . 974 . 90 VAL C C 175.659 0.0 . 975 . 90 VAL CA C 61.247 0.0 . 976 . 90 VAL CB C 31.932 0.0 . 977 . 90 VAL CG1 C 21.617 0.0 . 978 . 90 VAL CG2 C 21.069 0.0 . 979 . 90 VAL HA H 3.909 0.0 . 980 . 90 VAL HB H 1.983 0.0 . 981 . 90 VAL HG1 H 0.859 0.0 . 982 . 90 VAL HG2 H 0.627 0.0 . 983 . 90 VAL H H 7.531 0.0 . 984 . 90 VAL N N 113.462 0.0 . 985 . 91 GLY C C 173.203 0.0 . 986 . 91 GLY CA C 44.193 0.0 . 987 . 91 GLY HA2 H 4.524 0.0 . 988 . 91 GLY HA3 H 3.991 0.0 . 989 . 91 GLY H H 8.33 0.0 . 990 . 91 GLY N N 114.802 0.0 . 991 . 92 VAL C C 177.111 0.0 . 992 . 92 VAL CA C 61.397 0.0 . 993 . 92 VAL CB C 33.181 0.0 . 994 . 92 VAL CG1 C 21.785 0.0 . 995 . 92 VAL CG2 C 21.896 0.0 . 996 . 92 VAL HA H 5.368 0.0 . 997 . 92 VAL HB H 1.963 0.0 . 998 . 92 VAL HG1 H 0.989 0.0 . 999 . 92 VAL HG2 H 0.991 0.0 . 1000 . 92 VAL H H 8.504 0.0 . 1001 . 92 VAL N N 123.67 0.0 . 1002 . 93 THR C C 172.059 0.0 . 1003 . 93 THR CA C 58.498 0.0 . 1004 . 93 THR CB C 70.37 0.0 . 1005 . 93 THR CG2 C 19.855 0.0 . 1006 . 93 THR HA H 4.783 0.0 . 1007 . 93 THR HB H 4.304 0.0 . 1008 . 93 THR HG2 H 0.0 0.0 . 1009 . 93 THR H H 9.347 0.0 . 1010 . 93 THR N N 123.488 0.0 . 1011 . 94 VAL C C 173.216 0.0 . 1012 . 94 VAL CA C 59.953 0.0 . 1013 . 94 VAL CB C 36.888 0.0 . 1014 . 94 VAL CG1 C 22.043 0.0 . 1015 . 94 VAL CG2 C 21.595 0.0 . 1016 . 94 VAL HA H 5.215 0.0 . 1017 . 94 VAL HB H 1.577 0.0 . 1018 . 94 VAL HG1 H 0.723 0.0 . 1019 . 94 VAL HG2 H 0.611 0.0 . 1020 . 94 VAL H H 8.108 0.0 . 1021 . 94 VAL N N 121.0 0.0 . 1022 . 95 VAL C C 171.924 0.0 . 1023 . 95 VAL CA C 58.716 0.0 . 1024 . 95 VAL CB C 35.522 0.0 . 1025 . 95 VAL CG1 C 20.254 0.0 . 1026 . 95 VAL CG2 C 21.865 0.0 . 1027 . 95 VAL HA H 5.018 0.0 . 1028 . 95 VAL HB H 1.774 0.0 . 1029 . 95 VAL HG1 H 0.0 0.0 . 1030 . 95 VAL HG2 H 0.578 0.0 . 1031 . 95 VAL H H 8.757 0.0 . 1032 . 95 VAL N N 122.89 0.0 . 1033 . 96 LEU C C 175.935 0.0 . 1034 . 96 LEU CA C 52.792 0.0 . 1035 . 96 LEU CB C 46.343 0.0 . 1036 . 96 LEU CD1 C 24.772 0.0 . 1037 . 96 LEU CD2 C 25.526 0.0 . 1038 . 96 LEU CG C 26.615 0.0 . 1039 . 96 LEU HA H 5.436 0.0 . 1040 . 96 LEU HB2 H 1.028 0.0 . 1041 . 96 LEU HB3 H 1.632 0.0 . 1042 . 96 LEU HD1 H 0.601 0.0 . 1043 . 96 LEU HD2 H 0.624 0.0 . 1044 . 96 LEU HG H 1.414 0.0 . 1045 . 96 LEU H H 9.232 0.0 . 1046 . 96 LEU N N 126.06 0.0 . 1047 . 97 ILE C C 176.402 0.0 . 1048 . 97 ILE CA C 59.724 0.0 . 1049 . 97 ILE CB C 41.297 0.0 . 1050 . 97 ILE CD1 C 14.518 0.0 . 1051 . 97 ILE CG1 C 28.145 0.0 . 1052 . 97 ILE CG2 C 18.041 0.0 . 1053 . 97 ILE HA H 5.172 0.0 . 1054 . 97 ILE HB H 1.615 0.0 . 1055 . 97 ILE HD1 H 0.037 0.0 . 1056 . 97 ILE HG12 H 0.422 0.0 . 1057 . 97 ILE HG13 H 1.157 0.0 . 1058 . 97 ILE HG2 H 1.059 0.0 . 1059 . 97 ILE H H 9.19 0.0 . 1060 . 97 ILE N N 121.279 0.0 . 1061 . 98 THR C C 173.127 0.0 . 1062 . 98 THR CA C 58.015 0.0 . 1063 . 98 THR CB C 71.328 0.0 . 1064 . 98 THR CG2 C 21.468 0.0 . 1065 . 98 THR HA H 5.393 0.0 . 1066 . 98 THR HB H 4.156 0.0 . 1067 . 98 THR HG2 H 0.0 0.0 . 1068 . 98 THR H H 9.302 0.0 . 1069 . 98 THR N N 116.896 0.0 . 1070 . 99 CYS C C 171.878 0.0 . 1071 . 99 CYS CA C 57.823 0.0 . 1072 . 99 CYS CB C 29.05 0.0 . 1073 . 99 CYS HA H 4.778 0.0 . 1074 . 99 CYS HB2 H 1.005 0.0 . 1075 . 99 CYS HB3 H 1.01 0.0 . 1076 . 99 CYS H H 7.641 0.0 . 1077 . 99 CYS N N 119.483 0.0 . 1078 . 100 THR C C 172.354 0.0 . 1079 . 100 THR CA C 60.448 0.0 . 1080 . 100 THR CB C 71.395 0.0 . 1081 . 100 THR CG2 C 20.51 0.0 . 1082 . 100 THR HA H 5.004 0.0 . 1083 . 100 THR HB H 3.751 0.0 . 1084 . 100 THR HG2 H 0.0 0.0 . 1085 . 100 THR H H 8.427 0.0 . 1086 . 100 THR N N 124.007 0.0 . 1087 . 101 TYR C C 175.114 0.0 . 1088 . 101 TYR CA C 56.501 0.0 . 1089 . 101 TYR CB C 41.268 0.0 . 1090 . 101 TYR CD1 C 133.624 0.0 . 1091 . 101 TYR CE1 C 118.66 0.0 . 1092 . 101 TYR HA H 4.98 0.0 . 1093 . 101 TYR HB2 H 2.173 0.0 . 1094 . 101 TYR HB3 H 2.626 0.0 . 1095 . 101 TYR H H 8.526 0.0 . 1096 . 101 TYR N N 123.279 0.0 . 1097 . 101 TYR HD1 H 6.778 0.0 . 1098 . 101 TYR HE1 H 6.858 0.0 . 1099 . 102 ARG C C 176.776 0.0 . 1100 . 102 ARG CA C 56.643 0.0 . 1101 . 102 ARG CB C 27.554 0.0 . 1102 . 102 ARG CD C 43.644 0.0 . 1103 . 102 ARG CG C 26.844 0.0 . 1104 . 102 ARG HA H 3.565 0.0 . 1105 . 102 ARG HB2 H 1.234 0.0 . 1106 . 102 ARG HB3 H 1.726 0.0 . 1107 . 102 ARG HD2 H 2.856 0.0 . 1108 . 102 ARG HD3 H 2.883 0.0 . 1109 . 102 ARG HE H 6.986 0.0 . 1110 . 102 ARG HG2 H 0.265 0.0 . 1111 . 102 ARG HG3 H 1.013 0.0 . 1112 . 102 ARG H H 9.267 0.0 . 1113 . 102 ARG N N 128.675 0.0 . 1114 . 102 ARG NE N 124.888 0.0 . 1115 . 103 GLY C C 173.893 0.0 . 1116 . 103 GLY CA C 45.099 0.0 . 1117 . 103 GLY HA2 H 4.003 0.0 . 1118 . 103 GLY HA3 H 3.5 0.0 . 1119 . 103 GLY H H 8.656 0.0 . 1120 . 103 GLY N N 102.953 0.0 . 1121 . 104 GLN C C 174.427 0.0 . 1122 . 104 GLN CA C 53.71 0.0 . 1123 . 104 GLN CB C 32.223 0.0 . 1124 . 104 GLN CG C 33.611 0.0 . 1125 . 104 GLN HA H 4.511 0.0 . 1126 . 104 GLN HB2 H 1.878 0.0 . 1127 . 104 GLN HB3 H 2.148 0.0 . 1128 . 104 GLN HE21 H 7.362 0.0 . 1129 . 104 GLN HE22 H 6.86 0.0 . 1130 . 104 GLN HG2 H 2.302 0.0 . 1131 . 104 GLN HG3 H 2.303 0.0 . 1132 . 104 GLN H H 7.618 0.0 . 1133 . 104 GLN N N 119.958 0.0 . 1134 . 104 GLN NE2 N 110.131 0.0 . 1135 . 105 GLU C C 175.532 0.0 . 1136 . 105 GLU CA C 56.713 0.0 . 1137 . 105 GLU CB C 31.069 0.0 . 1138 . 105 GLU CG C 37.168 0.0 . 1139 . 105 GLU HA H 4.431 0.0 . 1140 . 105 GLU HB2 H 1.598 0.0 . 1141 . 105 GLU HB3 H 1.724 0.0 . 1142 . 105 GLU HG2 H 1.735 0.0 . 1143 . 105 GLU HG3 H 2.029 0.0 . 1144 . 105 GLU H H 8.709 0.0 . 1145 . 105 GLU N N 129.553 0.0 . 1146 . 106 PHE C C 175.412 0.0 . 1147 . 106 PHE CA C 55.982 0.0 . 1148 . 106 PHE CB C 40.59 0.0 . 1149 . 106 PHE CD1 C 133.465 0.0 . 1150 . 106 PHE CE1 C 131.423 0.0 . 1151 . 106 PHE HA H 5.547 0.0 . 1152 . 106 PHE HB2 H 2.677 0.0 . 1153 . 106 PHE HB3 H 3.744 0.0 . 1154 . 106 PHE H H 8.427 0.0 . 1155 . 106 PHE HZ H 6.887 0.0 . 1156 . 106 PHE N N 120.484 0.0 . 1157 . 106 PHE HD1 H 7.304 0.0 . 1158 . 106 PHE HE1 H 6.995 0.0 . 1159 . 107 ILE C C 170.181 0.0 . 1160 . 107 ILE CA C 59.814 0.0 . 1161 . 107 ILE CB C 40.843 0.0 . 1162 . 107 ILE CD1 C 14.477 0.0 . 1163 . 107 ILE CG1 C 29.148 0.0 . 1164 . 107 ILE CG2 C 16.567 0.0 . 1165 . 107 ILE HA H 5.159 0.0 . 1166 . 107 ILE HB H 1.806 0.0 . 1167 . 107 ILE HD1 H 0.88 0.0 . 1168 . 107 ILE HG12 H 0.971 0.0 . 1169 . 107 ILE HG13 H 1.493 0.0 . 1170 . 107 ILE HG2 H 0.21 0.0 . 1171 . 107 ILE H H 7.292 0.0 . 1172 . 107 ILE N N 123.631 0.0 . 1173 . 108 ARG C C 174.118 0.0 . 1174 . 108 ARG CA C 54.585 0.0 . 1175 . 108 ARG CB C 34.106 0.0 . 1176 . 108 ARG CD C 43.588 0.0 . 1177 . 108 ARG CG C 27.186 0.0 . 1178 . 108 ARG HA H 4.995 0.0 . 1179 . 108 ARG HB2 H 1.715 0.0 . 1180 . 108 ARG HB3 H 2.079 0.0 . 1181 . 108 ARG HD2 H 3.034 0.0 . 1182 . 108 ARG HD3 H 3.162 0.0 . 1183 . 108 ARG HE H 8.718 0.0 . 1184 . 108 ARG HG2 H 1.348 0.0 . 1185 . 108 ARG HG3 H 1.502 0.0 . 1186 . 108 ARG H H 8.512 0.0 . 1187 . 108 ARG N N 124.989 0.0 . 1188 . 108 ARG NE N 123.851 0.0 . 1189 . 109 VAL C C 174.302 0.0 . 1190 . 109 VAL CA C 60.632 0.0 . 1191 . 109 VAL CB C 33.587 0.0 . 1192 . 109 VAL CG1 C 20.369 0.0 . 1193 . 109 VAL CG2 C 21.058 0.0 . 1194 . 109 VAL HA H 4.519 0.0 . 1195 . 109 VAL HB H 2.063 0.0 . 1196 . 109 VAL HG1 H 0.855 0.0 . 1197 . 109 VAL HG2 H 0.597 0.0 . 1198 . 109 VAL H H 9.629 0.0 . 1199 . 109 VAL N N 127.8 0.0 . 1200 . 110 GLY C C 172.115 0.0 . 1201 . 110 GLY CA C 44.062 0.0 . 1202 . 110 GLY HA2 H 5.235 0.0 . 1203 . 110 GLY HA3 H 3.119 0.0 . 1204 . 110 GLY H H 9.075 0.0 . 1205 . 110 GLY N N 112.523 0.0 . 1206 . 111 TYR C C 176.271 0.0 . 1207 . 111 TYR CA C 56.612 0.0 . 1208 . 111 TYR CB C 42.342 0.0 . 1209 . 111 TYR CD1 C 132.953 0.0 . 1210 . 111 TYR CE1 C 118.049 0.0 . 1211 . 111 TYR HA H 4.825 0.0 . 1212 . 111 TYR HB2 H 2.521 0.0 . 1213 . 111 TYR HB3 H 2.909 0.0 . 1214 . 111 TYR H H 9.009 0.0 . 1215 . 111 TYR N N 120.426 0.0 . 1216 . 111 TYR HD1 H 6.874 0.0 . 1217 . 111 TYR HE1 H 6.495 0.0 . 1218 . 112 TYR C C 175.36 0.0 . 1219 . 112 TYR CA C 58.646 0.0 . 1220 . 112 TYR CB C 39.336 0.0 . 1221 . 112 TYR CD1 C 133.675 0.0 . 1222 . 112 TYR CE1 C 118.266 0.0 . 1223 . 112 TYR HA H 5.209 0.0 . 1224 . 112 TYR HB2 H 3.002 0.0 . 1225 . 112 TYR HB3 H 3.002 0.0 . 1226 . 112 TYR H H 9.337 0.0 . 1227 . 112 TYR N N 120.561 0.0 . 1228 . 112 TYR HD1 H 7.265 0.0 . 1229 . 113 VAL C C 173.631 0.0 . 1230 . 113 VAL CA C 60.75 0.0 . 1231 . 113 VAL CG1 C 22.895 0.0 . 1232 . 113 VAL CG2 C 22.953 0.0 . 1233 . 113 VAL HA H 4.567 0.0 . 1234 . 113 VAL HB H 2.057 0.0 . 1235 . 113 VAL HG1 H 0.0 0.0 . 1236 . 113 VAL HG2 H 0.995 0.0 . 1237 . 113 VAL H H 9.265 0.0 . 1238 . 113 VAL N N 122.105 0.0 . 1239 . 114 ASN C C 174.363 0.0 . 1240 . 114 ASN CA C 51.667 0.0 . 1241 . 114 ASN CB C 40.712 0.0 . 1242 . 114 ASN HA H 5.289 0.0 . 1243 . 114 ASN HB2 H 2.634 0.0 . 1244 . 114 ASN HB3 H 2.908 0.0 . 1245 . 114 ASN HD21 H 7.388 0.0 . 1246 . 114 ASN HD22 H 6.694 0.0 . 1247 . 114 ASN H H 8.965 0.0 . 1248 . 114 ASN N N 124.751 0.0 . 1249 . 114 ASN ND2 N 110.403 0.0 . 1250 . 115 ASN C C 174.059 0.0 . 1251 . 115 ASN CA C 52.444 0.0 . 1252 . 115 ASN CB C 41.214 0.0 . 1253 . 115 ASN HA H 5.859 0.0 . 1254 . 115 ASN HB2 H 2.293 0.0 . 1255 . 115 ASN HB3 H 3.178 0.0 . 1256 . 115 ASN HD21 H 7.916 0.0 . 1257 . 115 ASN HD22 H 5.975 0.0 . 1258 . 115 ASN H H 8.687 0.0 . 1259 . 115 ASN N N 125.813 0.0 . 1260 . 115 ASN ND2 N 112.014 0.0 . 1261 . 116 GLU C C 175.153 0.0 . 1262 . 116 GLU CA C 53.656 0.0 . 1263 . 116 GLU CB C 34.062 0.0 . 1264 . 116 GLU CG C 35.053 0.0 . 1265 . 116 GLU HA H 4.665 0.0 . 1266 . 116 GLU HB2 H 1.939 0.0 . 1267 . 116 GLU HB3 H 1.932 0.0 . 1268 . 116 GLU HG2 H 2.046 0.0 . 1269 . 116 GLU HG3 H 2.221 0.0 . 1270 . 116 GLU H H 8.797 0.0 . 1271 . 116 GLU N N 120.833 0.0 . 1272 . 117 TYR C C 177.224 0.0 . 1273 . 117 TYR CA C 58.689 0.0 . 1274 . 117 TYR CB C 39.882 0.0 . 1275 . 117 TYR CD1 C 133.596 0.0 . 1276 . 117 TYR CE1 C 117.629 0.0 . 1277 . 117 TYR HA H 4.947 0.0 . 1278 . 117 TYR HB2 H 2.502 0.0 . 1279 . 117 TYR HB3 H 3.11 0.0 . 1280 . 117 TYR H H 8.933 0.0 . 1281 . 117 TYR N N 121.895 0.0 . 1282 . 117 TYR HD1 H 6.998 0.0 . 1283 . 117 TYR HE1 H 6.862 0.0 . 1284 . 118 THR C C 175.126 0.0 . 1285 . 118 THR CA C 62.324 0.0 . 1286 . 118 THR CB C 68.803 0.0 . 1287 . 118 THR CG2 C 22.145 0.0 . 1288 . 118 THR HA H 4.348 0.0 . 1289 . 118 THR HB H 4.364 0.0 . 1290 . 118 THR HG2 H 1.141 0.0 . 1291 . 118 THR H H 8.901 0.0 . 1292 . 118 THR N N 110.516 0.0 . 1293 . 119 GLU CA C 54.855 0.0 . 1294 . 119 GLU CB C 31.18 0.0 . 1295 . 119 GLU CG C 36.143 0.0 . 1296 . 119 GLU HA H 4.629 0.0 . 1297 . 119 GLU HB2 H 1.878 0.0 . 1298 . 119 GLU HB3 H 2.206 0.0 . 1299 . 119 GLU HG2 H 2.359 0.0 . 1300 . 119 GLU HG3 H 2.362 0.0 . 1301 . 119 GLU H H 7.288 0.0 . 1302 . 119 GLU N N 121.491 0.0 . 1303 . 120 THR C C 175.532 0.0 . 1304 . 120 THR CA C 66.745 0.0 . 1305 . 120 THR CB C 68.445 0.0 . 1306 . 120 THR CG2 C 21.847 0.0 . 1307 . 120 THR HA H 3.654 0.0 . 1308 . 120 THR HB H 4.083 0.0 . 1309 . 120 THR HG2 H 0.0 0.0 . 1310 . 121 GLU C C 178.338 0.0 . 1311 . 121 GLU CA C 59.728 0.0 . 1312 . 121 GLU CB C 29.04 0.0 . 1313 . 121 GLU CG C 36.115 0.0 . 1314 . 121 GLU HA H 4.016 0.0 . 1315 . 121 GLU HB2 H 1.894 0.0 . 1316 . 121 GLU HB3 H 2.02 0.0 . 1317 . 121 GLU HG2 H 2.256 0.0 . 1318 . 121 GLU HG3 H 2.3 0.0 . 1319 . 121 GLU H H 9.238 0.0 . 1320 . 121 GLU N N 119.416 0.0 . 1321 . 122 LEU C C 176.815 0.0 . 1322 . 122 LEU CA C 55.885 0.0 . 1323 . 122 LEU CB C 40.948 0.0 . 1324 . 122 LEU CD1 C 25.931 0.0 . 1325 . 122 LEU CD2 C 23.007 0.0 . 1326 . 122 LEU CG C 27.368 0.0 . 1327 . 122 LEU HA H 3.924 0.0 . 1328 . 122 LEU HB2 H 0.638 0.0 . 1329 . 122 LEU HB3 H 1.397 0.0 . 1330 . 122 LEU HD1 H 0.674 0.0 . 1331 . 122 LEU HD2 H 0.535 0.0 . 1332 . 122 LEU HG H 1.41 0.0 . 1333 . 122 LEU H H 6.606 0.0 . 1334 . 122 LEU N N 116.857 0.0 . 1335 . 123 ARG C C 179.171 0.0 . 1336 . 123 ARG CA C 58.956 0.0 . 1337 . 123 ARG CB C 30.546 0.0 . 1338 . 123 ARG CD C 43.573 0.0 . 1339 . 123 ARG CG C 28.365 0.0 . 1340 . 123 ARG HA H 4.107 0.0 . 1341 . 123 ARG HB2 H 1.887 0.0 . 1342 . 123 ARG HB3 H 1.893 0.0 . 1343 . 123 ARG HD2 H 3.147 0.0 . 1344 . 123 ARG HD3 H 3.197 0.0 . 1345 . 123 ARG HG2 H 1.698 0.0 . 1346 . 123 ARG HG3 H 1.703 0.0 . 1347 . 123 ARG H H 7.593 0.0 . 1348 . 123 ARG N N 115.614 0.0 . 1349 . 124 GLU C C 176.504 0.0 . 1350 . 124 GLU CA C 57.605 0.0 . 1351 . 124 GLU CB C 30.387 0.0 . 1352 . 124 GLU CG C 36.457 0.0 . 1353 . 124 GLU HA H 4.103 0.0 . 1354 . 124 GLU HB2 H 1.903 0.0 . 1355 . 124 GLU HB3 H 1.998 0.0 . 1356 . 124 GLU HG2 H 2.241 0.0 . 1357 . 124 GLU HG3 H 2.405 0.0 . 1358 . 124 GLU H H 7.842 0.0 . 1359 . 124 GLU N N 114.784 0.0 . 1360 . 125 ASN CA C 50.538 0.0 . 1361 . 125 ASN CB C 39.075 0.0 . 1362 . 125 ASN HA H 5.059 0.0 . 1363 . 125 ASN HB2 H 2.651 0.0 . 1364 . 125 ASN HB3 H 2.632 0.0 . 1365 . 125 ASN HD21 H 7.652 0.0 . 1366 . 125 ASN HD22 H 6.886 0.0 . 1367 . 125 ASN H H 7.329 0.0 . 1368 . 125 ASN N N 115.76 0.0 . 1369 . 125 ASN ND2 N 114.676 0.0 . 1370 . 126 PRO CA C 61.554 0.0 . 1371 . 126 PRO CB C 31.115 0.0 . 1372 . 126 PRO CD C 49.93 0.0 . 1373 . 126 PRO CG C 27.386 0.0 . 1374 . 126 PRO HA H 4.718 0.0 . 1375 . 126 PRO HB2 H 2.016 0.0 . 1376 . 126 PRO HB3 H 2.481 0.0 . 1377 . 126 PRO HD2 H 3.335 0.0 . 1378 . 126 PRO HD3 H 3.573 0.0 . 1379 . 126 PRO HG2 H 2.059 0.0 . 1380 . 126 PRO HG3 H 2.094 0.0 . 1381 . 127 PRO C C 177.268 0.0 . 1382 . 127 PRO CA C 61.674 0.0 . 1383 . 127 PRO CB C 31.86 0.0 . 1384 . 127 PRO CD C 50.173 0.0 . 1385 . 127 PRO CG C 27.2 0.0 . 1386 . 127 PRO HA H 4.403 0.0 . 1387 . 127 PRO HB2 H 2.137 0.0 . 1388 . 127 PRO HB3 H 2.145 0.0 . 1389 . 127 PRO HD2 H 3.409 0.0 . 1390 . 127 PRO HD3 H 3.41 0.0 . 1391 . 127 PRO HG2 H 1.85 0.0 . 1392 . 127 PRO HG3 H 1.907 0.0 . 1393 . 128 VAL C C 176.646 0.0 . 1394 . 128 VAL CA C 65.265 0.0 . 1395 . 128 VAL CB C 31.639 0.0 . 1396 . 128 VAL CG1 C 21.614 0.0 . 1397 . 128 VAL CG2 C 20.854 0.0 . 1398 . 128 VAL HA H 3.659 0.0 . 1399 . 128 VAL HB H 2.001 0.0 . 1400 . 128 VAL HG1 H 1.037 0.0 . 1401 . 128 VAL HG2 H 0.98 0.0 . 1402 . 128 VAL H H 8.257 0.0 . 1403 . 128 VAL N N 120.806 0.0 . 1404 . 129 LYS CA C 51.213 0.0 . 1405 . 129 LYS CB C 32.1 0.0 . 1406 . 129 LYS CD C 28.505 0.0 . 1407 . 129 LYS CE C 41.695 0.0 . 1408 . 129 LYS CG C 24.111 0.0 . 1409 . 129 LYS HA H 4.773 0.0 . 1410 . 129 LYS HB2 H 1.633 0.0 . 1411 . 129 LYS HB3 H 1.801 0.0 . 1412 . 129 LYS HD2 H 1.765 0.0 . 1413 . 129 LYS HD3 H 1.763 0.0 . 1414 . 129 LYS HE2 H 3.044 0.0 . 1415 . 129 LYS HE3 H 3.06 0.0 . 1416 . 129 LYS HG2 H 1.463 0.0 . 1417 . 129 LYS HG3 H 1.465 0.0 . 1418 . 129 LYS H H 7.634 0.0 . 1419 . 129 LYS N N 119.852 0.0 . 1420 . 130 PRO C C 175.281 0.0 . 1421 . 130 PRO CA C 62.487 0.0 . 1422 . 130 PRO CB C 31.158 0.0 . 1423 . 130 PRO CD C 50.394 0.0 . 1424 . 130 PRO CG C 27.974 0.0 . 1425 . 130 PRO HA H 4.003 0.0 . 1426 . 130 PRO HB2 H 0.833 0.0 . 1427 . 130 PRO HB3 H 1.41 0.0 . 1428 . 130 PRO HD2 H 3.575 0.0 . 1429 . 130 PRO HD3 H 3.852 0.0 . 1430 . 130 PRO HG2 H 1.877 0.0 . 1431 . 130 PRO HG3 H 2.017 0.0 . 1432 . 131 ASP C C 177.224 0.0 . 1433 . 131 ASP CA C 50.995 0.0 . 1434 . 131 ASP CB C 40.027 0.0 . 1435 . 131 ASP HA H 4.938 0.0 . 1436 . 131 ASP HB2 H 2.446 0.0 . 1437 . 131 ASP HB3 H 2.904 0.0 . 1438 . 131 ASP H H 7.576 0.0 . 1439 . 131 ASP N N 119.161 0.0 . 1440 . 132 PHE C C 177.037 0.0 . 1441 . 132 PHE CA C 61.394 0.0 . 1442 . 132 PHE CB C 37.9 0.0 . 1443 . 132 PHE CD1 C 131.993 0.0 . 1444 . 132 PHE CE1 C 131.911 0.0 . 1445 . 132 PHE CZ C 130.262 0.0 . 1446 . 132 PHE HA H 3.514 0.0 . 1447 . 132 PHE HB2 H 2.429 0.0 . 1448 . 132 PHE HB3 H 2.8 0.0 . 1449 . 132 PHE H H 8.105 0.0 . 1450 . 132 PHE HZ H 7.098 0.0 . 1451 . 132 PHE N N 121.429 0.0 . 1452 . 132 PHE HD1 H 6.139 0.0 . 1453 . 132 PHE HE1 H 6.974 0.0 . 1454 . 133 SER C C 175.079 0.0 . 1455 . 133 SER CA C 60.966 0.0 . 1456 . 133 SER CB C 63.018 0.0 . 1457 . 133 SER HA H 4.467 0.0 . 1458 . 133 SER HB2 H 4.214 0.0 . 1459 . 133 SER HB3 H 4.217 0.0 . 1460 . 133 SER H H 8.382 0.0 . 1461 . 133 SER N N 113.866 0.0 . 1462 . 134 LYS C C 175.681 0.0 . 1463 . 134 LYS CA C 54.786 0.0 . 1464 . 134 LYS CB C 33.96 0.0 . 1465 . 134 LYS CD C 28.904 0.0 . 1466 . 134 LYS CE C 41.999 0.0 . 1467 . 134 LYS CG C 25.071 0.0 . 1468 . 134 LYS HA H 4.744 0.0 . 1469 . 134 LYS HB2 H 1.681 0.0 . 1470 . 134 LYS HB3 H 2.352 0.0 . 1471 . 134 LYS HD2 H 1.519 0.0 . 1472 . 134 LYS HD3 H 1.675 0.0 . 1473 . 134 LYS HE2 H 2.959 0.0 . 1474 . 134 LYS HE3 H 2.956 0.0 . 1475 . 134 LYS HG2 H 1.32 0.0 . 1476 . 134 LYS HG3 H 1.422 0.0 . 1477 . 134 LYS H H 7.442 0.0 . 1478 . 134 LYS N N 120.381 0.0 . 1479 . 135 LEU C C 175.705 0.0 . 1480 . 135 LEU CA C 54.102 0.0 . 1481 . 135 LEU CB C 44.635 0.0 . 1482 . 135 LEU CD1 C 23.523 0.0 . 1483 . 135 LEU CD2 C 25.519 0.0 . 1484 . 135 LEU CG C 25.646 0.0 . 1485 . 135 LEU HA H 4.327 0.0 . 1486 . 135 LEU HB2 H 1.021 0.0 . 1487 . 135 LEU HB3 H 1.514 0.0 . 1488 . 135 LEU HD1 H -0.185 0.0 . 1489 . 135 LEU HD2 H -0.082 0.0 . 1490 . 135 LEU HG H 1.213 0.0 . 1491 . 135 LEU H H 6.967 0.0 . 1492 . 135 LEU N N 121.429 0.0 . 1493 . 136 GLN C C 173.633 0.0 . 1494 . 136 GLN CA C 54.355 0.0 . 1495 . 136 GLN CB C 32.032 0.0 . 1496 . 136 GLN CG C 34.77 0.0 . 1497 . 136 GLN HA H 4.714 0.0 . 1498 . 136 GLN HB2 H 1.92 0.0 . 1499 . 136 GLN HB3 H 1.943 0.0 . 1500 . 136 GLN HE21 H 7.776 0.0 . 1501 . 136 GLN HE22 H 6.778 0.0 . 1502 . 136 GLN HG2 H 2.051 0.0 . 1503 . 136 GLN HG3 H 2.052 0.0 . 1504 . 136 GLN H H 9.368 0.0 . 1505 . 136 GLN N N 125.336 0.0 . 1506 . 136 GLN NE2 N 111.966 0.0 . 1507 . 137 ARG C C 174.274 0.0 . 1508 . 137 ARG CA C 54.613 0.0 . 1509 . 137 ARG CB C 32.81 0.0 . 1510 . 137 ARG CD C 43.837 0.0 . 1511 . 137 ARG HA H 5.097 0.0 . 1512 . 137 ARG HB2 H 1.302 0.0 . 1513 . 137 ARG HB3 H 1.872 0.0 . 1514 . 137 ARG HD2 H 2.798 0.0 . 1515 . 137 ARG HD3 H 3.069 0.0 . 1516 . 137 ARG HE H 6.546 0.0 . 1517 . 137 ARG H H 9.582 0.0 . 1518 . 137 ARG N N 128.217 0.0 . 1519 . 137 ARG NE N 121.723 0.0 . 1520 . 138 ASN C C 175.074 0.0 . 1521 . 138 ASN CA C 51.089 0.0 . 1522 . 138 ASN CB C 39.956 0.0 . 1523 . 138 ASN HA H 5.14 0.0 . 1524 . 138 ASN HB2 H 2.723 0.0 . 1525 . 138 ASN HB3 H 3.006 0.0 . 1526 . 138 ASN HD21 H 7.498 0.0 . 1527 . 138 ASN HD22 H 6.509 0.0 . 1528 . 138 ASN H H 8.881 0.0 . 1529 . 138 ASN N N 124.694 0.0 . 1530 . 138 ASN ND2 N 109.124 0.0 . 1531 . 139 ILE C C 176.624 0.0 . 1532 . 139 ILE CA C 62.105 0.0 . 1533 . 139 ILE CB C 38.158 0.0 . 1534 . 139 ILE CD1 C 15.088 0.0 . 1535 . 139 ILE CG1 C 29.05 0.0 . 1536 . 139 ILE CG2 C 17.631 0.0 . 1537 . 139 ILE HA H 4.284 0.0 . 1538 . 139 ILE HB H 1.549 0.0 . 1539 . 139 ILE HD1 H 0.871 0.0 . 1540 . 139 ILE HG12 H 0.986 0.0 . 1541 . 139 ILE HG13 H 1.777 0.0 . 1542 . 139 ILE HG2 H 0.639 0.0 . 1543 . 139 ILE H H 9.806 0.0 . 1544 . 139 ILE N N 127.325 0.0 . 1545 . 140 LEU C C 177.971 0.0 . 1546 . 140 LEU CA C 54.494 0.0 . 1547 . 140 LEU CB C 37.585 0.0 . 1548 . 140 LEU CD1 C 24.538 0.0 . 1549 . 140 LEU CD2 C 23.954 0.0 . 1550 . 140 LEU CG C 27.566 0.0 . 1551 . 140 LEU HA H 4.701 0.0 . 1552 . 140 LEU HB2 H 1.898 0.0 . 1553 . 140 LEU HB3 H 2.047 0.0 . 1554 . 140 LEU HD1 H 0.972 0.0 . 1555 . 140 LEU HD2 H 0.934 0.0 . 1556 . 140 LEU HG H 1.772 0.0 . 1557 . 140 LEU H H 9.285 0.0 . 1558 . 140 LEU N N 131.376 0.0 . 1559 . 141 ALA CA C 53.692 0.0 . 1560 . 141 ALA CB C 19.701 0.0 . 1561 . 141 ALA HA H 4.232 0.0 . 1562 . 141 ALA HB H 1.408 0.0 . 1563 . 141 ALA H H 8.226 0.0 . 1564 . 141 ALA N N 127.893 0.0 . 1565 . 142 SER C C 174.077 0.0 . 1566 . 142 SER CA C 58.961 0.0 . 1567 . 142 SER CB C 63.296 0.0 . 1568 . 142 SER HA H 4.524 0.0 . 1569 . 142 SER HB2 H 3.996 0.0 . 1570 . 142 SER HB3 H 4.086 0.0 . 1571 . 142 SER H H 8.37 0.0 . 1572 . 142 SER N N 110.469 0.0 . 1573 . 143 ASN CA C 51.255 0.0 . 1574 . 143 ASN CB C 39.677 0.0 . 1575 . 143 ASN HA H 5.432 0.0 . 1576 . 143 ASN HB2 H 2.633 0.0 . 1577 . 143 ASN HB3 H 2.985 0.0 . 1578 . 143 ASN HD21 H 7.616 0.0 . 1579 . 143 ASN HD22 H 6.911 0.0 . 1580 . 143 ASN H H 7.562 0.0 . 1581 . 143 ASN N N 116.904 0.0 . 1582 . 143 ASN ND2 N 111.337 0.0 . 1583 . 144 PRO C C 176.718 0.0 . 1584 . 144 PRO CA C 62.903 0.0 . 1585 . 144 PRO CB C 31.455 0.0 . 1586 . 144 PRO CD C 50.211 0.0 . 1587 . 144 PRO CG C 26.614 0.0 . 1588 . 144 PRO HA H 4.293 0.0 . 1589 . 144 PRO HB2 H 1.286 0.0 . 1590 . 144 PRO HB3 H 1.6 0.0 . 1591 . 144 PRO HD2 H 3.63 0.0 . 1592 . 144 PRO HD3 H 3.754 0.0 . 1593 . 144 PRO HG2 H 2.053 0.0 . 1594 . 144 PRO HG3 H 2.051 0.0 . 1595 . 145 ARG C C 175.497 0.0 . 1596 . 145 ARG CA C 54.273 0.0 . 1597 . 145 ARG CB C 30.188 0.0 . 1598 . 145 ARG CD C 42.944 0.0 . 1599 . 145 ARG CG C 26.357 0.0 . 1600 . 145 ARG HA H 4.506 0.0 . 1601 . 145 ARG HB2 H 1.613 0.0 . 1602 . 145 ARG HB3 H 1.613 0.0 . 1603 . 145 ARG HD2 H 3.068 0.0 . 1604 . 145 ARG HD3 H 3.077 0.0 . 1605 . 145 ARG HG2 H 1.483 0.0 . 1606 . 145 ARG HG3 H 1.566 0.0 . 1607 . 145 ARG H H 8.99 0.0 . 1608 . 145 ARG N N 122.756 0.0 . 1609 . 146 VAL C C 175.7 0.0 . 1610 . 146 VAL CA C 61.844 0.0 . 1611 . 146 VAL CB C 33.185 0.0 . 1612 . 146 VAL CG1 C 21.643 0.0 . 1613 . 146 VAL CG2 C 21.285 0.0 . 1614 . 146 VAL HA H 4.745 0.0 . 1615 . 146 VAL HB H 1.968 0.0 . 1616 . 146 VAL HG1 H 0.863 0.0 . 1617 . 146 VAL HG2 H 0.852 0.0 . 1618 . 146 VAL H H 8.809 0.0 . 1619 . 146 VAL N N 128.567 0.0 . 1620 . 147 THR C C 171.727 0.0 . 1621 . 147 THR CA C 61.63 0.0 . 1622 . 147 THR CB C 70.186 0.0 . 1623 . 147 THR CG2 C 22.265 0.0 . 1624 . 147 THR HA H 4.309 0.0 . 1625 . 147 THR HB H 3.617 0.0 . 1626 . 147 THR HG2 H 0.637 0.0 . 1627 . 147 THR H H 9.086 0.0 . 1628 . 147 THR N N 125.493 0.0 . 1629 . 148 ARG C C 174.816 0.0 . 1630 . 148 ARG CA C 54.265 0.0 . 1631 . 148 ARG CB C 32.647 0.0 . 1632 . 148 ARG CD C 43.185 0.0 . 1633 . 148 ARG CG C 28.444 0.0 . 1634 . 148 ARG HA H 4.761 0.0 . 1635 . 148 ARG HB2 H 1.585 0.0 . 1636 . 148 ARG HB3 H 1.928 0.0 . 1637 . 148 ARG HD2 H 3.232 0.0 . 1638 . 148 ARG HD3 H 3.324 0.0 . 1639 . 148 ARG HG2 H 1.598 0.0 . 1640 . 148 ARG HG3 H 1.588 0.0 . 1641 . 148 ARG H H 8.301 0.0 . 1642 . 148 ARG N N 124.509 0.0 . 1643 . 149 PHE C C 175.555 0.0 . 1644 . 149 PHE CA C 55.81 0.0 . 1645 . 149 PHE CB C 41.421 0.0 . 1646 . 149 PHE CD1 C 131.974 0.0 . 1647 . 149 PHE CE1 C 131.595 0.0 . 1648 . 149 PHE CZ C 129.632 0.0 . 1649 . 149 PHE HA H 4.843 0.0 . 1650 . 149 PHE HB2 H 2.999 0.0 . 1651 . 149 PHE HB3 H 3.183 0.0 . 1652 . 149 PHE H H 7.989 0.0 . 1653 . 149 PHE HZ H 6.987 0.0 . 1654 . 149 PHE N N 119.911 0.0 . 1655 . 149 PHE HD1 H 6.88 0.0 . 1656 . 149 PHE HE1 H 7.149 0.0 . 1657 . 150 HIS C C 175.575 0.0 . 1658 . 150 HIS CA C 56.442 0.0 . 1659 . 150 HIS CB C 30.579 0.0 . 1660 . 150 HIS CD2 C 119.476 0.0 . 1661 . 150 HIS HA H 4.884 0.0 . 1662 . 150 HIS HB2 H 3.122 0.0 . 1663 . 150 HIS HB3 H 3.152 0.0 . 1664 . 150 HIS HD2 H 7.038 0.0 . 1665 . 150 HIS H H 7.537 0.0 . 1666 . 150 HIS N N 115.322 0.0 . 1667 . 151 ILE C C 173.507 0.0 . 1668 . 151 ILE CA C 58.984 0.0 . 1669 . 151 ILE CB C 40.624 0.0 . 1670 . 151 ILE CD1 C 14.991 0.0 . 1671 . 151 ILE CG1 C 24.893 0.0 . 1672 . 151 ILE CG2 C 19.207 0.0 . 1673 . 151 ILE HA H 4.549 0.0 . 1674 . 151 ILE HB H 1.328 0.0 . 1675 . 151 ILE HD1 H -0.365 0.0 . 1676 . 151 ILE HG12 H -0.367 0.0 . 1677 . 151 ILE HG13 H 0.318 0.0 . 1678 . 151 ILE HG2 H 0.633 0.0 . 1679 . 151 ILE H H 7.539 0.0 . 1680 . 151 ILE N N 119.124 0.0 . 1681 . 152 ASN C C 176.132 0.0 . 1682 . 152 ASN CA C 52.271 0.0 . 1683 . 152 ASN CB C 37.953 0.0 . 1684 . 152 ASN HA H 4.907 0.0 . 1685 . 152 ASN HB2 H 2.786 0.0 . 1686 . 152 ASN HB3 H 3.028 0.0 . 1687 . 152 ASN HD21 H 7.544 0.0 . 1688 . 152 ASN HD22 H 7.049 0.0 . 1689 . 152 ASN H H 8.155 0.0 . 1690 . 152 ASN N N 116.386 0.0 . 1691 . 152 ASN ND2 N 112.669 0.0 . 1692 . 153 TRP C C 176.136 0.0 . 1693 . 153 TRP CA C 58.262 0.0 . 1694 . 153 TRP CB C 29.87 0.0 . 1695 . 153 TRP CD1 C 129.27 0.0 . 1696 . 153 TRP CE3 C 121.214 0.0 . 1697 . 153 TRP CH2 C 124.552 0.0 . 1698 . 153 TRP CZ2 C 114.172 0.0 . 1699 . 153 TRP CZ3 C 121.936 0.0 . 1700 . 153 TRP HA H 4.391 0.0 . 1701 . 153 TRP HB2 H 3.019 0.0 . 1702 . 153 TRP HB3 H 3.368 0.0 . 1703 . 153 TRP HD1 H 7.355 0.0 . 1704 . 153 TRP HE1 H 10.702 0.0 . 1705 . 153 TRP HE3 H 6.908 0.0 . 1706 . 153 TRP HH2 H 5.019 0.0 . 1707 . 153 TRP H H 8.977 0.0 . 1708 . 153 TRP HZ2 H 6.772 0.0 . 1709 . 153 TRP HZ3 H 5.751 0.0 . 1710 . 153 TRP N N 126.551 0.0 . 1711 . 153 TRP NE1 N 131.5 0.0 . 1712 . 154 GLU C C 176.104 0.0 . 1713 . 154 GLU CA C 56.121 0.0 . 1714 . 154 GLU CB C 30.726 0.0 . 1715 . 154 GLU CG C 36.138 0.0 . 1716 . 154 GLU HA H 4.451 0.0 . 1717 . 154 GLU HB2 H 2.132 0.0 . 1718 . 154 GLU HB3 H 2.219 0.0 . 1719 . 154 GLU HG3 H 2.375 0.0 . 1720 . 154 GLU H H 8.193 0.0 . 1721 . 154 GLU N N 118.689 0.0 . 1722 . 155 ASP C C 175.078 0.0 . 1723 . 155 ASP CA C 54.409 0.0 . 1724 . 155 ASP CB C 41.134 0.0 . 1725 . 155 ASP HA H 4.648 0.0 . 1726 . 155 ASP HB2 H 2.598 0.0 . 1727 . 155 ASP HB3 H 2.79 0.0 . 1728 . 155 ASP H H 8.586 0.0 . 1729 . 155 ASP N N 121.641 0.0 . 1730 . 156 ASN CA C 54.398 0.0 . 1731 . 156 ASN CB C 40.402 0.0 . 1732 . 156 ASN HA H 4.44 0.0 . 1733 . 156 ASN HB2 H 2.659 0.0 . 1734 . 156 ASN HB3 H 2.748 0.0 . 1735 . 156 ASN HD21 H 7.514 0.0 . 1736 . 156 ASN HD22 H 6.801 0.0 . 1737 . 156 ASN H H 7.966 0.0 . 1738 . 156 ASN N N 123.724 0.0 . 1739 . 156 ASN ND2 N 112.676 0.0 . stop_ save_