data_6597 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Human ARNT C-terminal PAS domain ; _BMRB_accession_number 6597 _BMRB_flat_file_name bmr6597.str _Entry_type original _Submission_date 2005-04-14 _Accession_date 2005-04-28 _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 Card P. C. . 2 Erbel J. A. . 3 Gardner K. H. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 744 "13C chemical shifts" 545 "15N chemical shifts" 133 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-01-11 update author 'correction of chemical shift' 2005-10-31 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural Basis of ARNT PAS-B Dimerization: Use of a Common Beta-sheet Interface for Hetero- and Homodimerization. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16181639 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Card P. B. . 2 Erbel P. J. . 3 Gardner K. H. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 353 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 664 _Page_last 677 _Year 2005 _Details . loop_ _Keyword PAS 'mixed alpha-beta fold' hypoxia 'aryl hydrocarbon receptor nuclear translocator' ARNT stop_ save_ ################################## # Molecular system description # ################################## save_system_hARNT _Saveframe_category molecular_system _Mol_system_name 'Aryl hydrocarbon receptor nuclear translocator' _Abbreviation_common hARNT _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Aryl hydrocarbon receptor nuclear translocator' $hARNT 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_hARNT _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common hARNT _Abbreviation_common hARNT _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 119 _Mol_residue_sequence ; GAMDNVCQPTEFISRHNIEG IFTFVDHRCVATVGYQPQEL LGKNIVEFCHPEDQQLLRDS FQQVVKLKGQVLSVMFRFRS KNQEWLWMRTSSFTFQNPYS DEIEYIICTNTNVKNSSQE ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ALA 3 MET 4 ASP 5 ASN 6 VAL 7 CYS 8 GLN 9 PRO 10 THR 11 GLU 12 PHE 13 ILE 14 SER 15 ARG 16 HIS 17 ASN 18 ILE 19 GLU 20 GLY 21 ILE 22 PHE 23 THR 24 PHE 25 VAL 26 ASP 27 HIS 28 ARG 29 CYS 30 VAL 31 ALA 32 THR 33 VAL 34 GLY 35 TYR 36 GLN 37 PRO 38 GLN 39 GLU 40 LEU 41 LEU 42 GLY 43 LYS 44 ASN 45 ILE 46 VAL 47 GLU 48 PHE 49 CYS 50 HIS 51 PRO 52 GLU 53 ASP 54 GLN 55 GLN 56 LEU 57 LEU 58 ARG 59 ASP 60 SER 61 PHE 62 GLN 63 GLN 64 VAL 65 VAL 66 LYS 67 LEU 68 LYS 69 GLY 70 GLN 71 VAL 72 LEU 73 SER 74 VAL 75 MET 76 PHE 77 ARG 78 PHE 79 ARG 80 SER 81 LYS 82 ASN 83 GLN 84 GLU 85 TRP 86 LEU 87 TRP 88 MET 89 ARG 90 THR 91 SER 92 SER 93 PHE 94 THR 95 PHE 96 GLN 97 ASN 98 PRO 99 TYR 100 SER 101 ASP 102 GLU 103 ILE 104 GLU 105 TYR 106 ILE 107 ILE 108 CYS 109 THR 110 ASN 111 THR 112 ASN 113 VAL 114 LYS 115 ASN 116 SER 117 SER 118 GLN 119 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 15928 ARNT_PAS-B_Slipped_IB_Strand 100.00 119 97.48 97.48 1.32e-79 PDB 1X0O "Human Arnt C-Terminal Pas Domain" 100.00 119 100.00 100.00 6.32e-83 PDB 2A24 "Haddock Structure Of Hif-2aARNT PAS-B Heterodimer" 90.76 108 100.00 100.00 2.75e-74 PDB 2HV1 "Haddock Structure Of Arnt Pas-B Homodimer" 100.00 119 100.00 100.00 6.32e-83 PDB 2K7S "Human Arnt C-Terminal Pas Domain, 3 Residue Ib Slip" 100.00 119 97.48 97.48 1.32e-79 PDB 3F1N "Crystal Structure Of A High Affinity Heterodimer Of Hif2 Alpha And Arnt C-Terminal Pas Domains, With Internally Bound Ethylene " 96.64 121 99.13 99.13 1.83e-78 PDB 3F1O "Crystal Structure Of The High Affinity Heterodimer Of Hif2 Alpha And Arnt C-Terminal Pas Domains, With An Internally- Bound Art" 96.64 121 99.13 99.13 1.83e-78 PDB 3F1P "Crystal Structure Of A High Affinity Heterodimer Of Hif2 Alpha And Arnt C-Terminal Pas Domains" 96.64 121 99.13 99.13 1.83e-78 PDB 3H7W "Crystal Structure Of The High Affinity Heterodimer Of Hif2 Alpha And Arnt C-Terminal Pas Domains With The Artificial Ligand Ths" 96.64 121 99.13 99.13 1.83e-78 PDB 3H82 "Crystal Structure Of The High Affinity Heterodimer Of Hif2 Alpha And Arnt C-Terminal Pas Domains With The Artificial Ligand Ths" 96.64 121 99.13 99.13 1.83e-78 PDB 4EQ1 "Crystal Structure Of The Arnt Pas-b Homodimer" 91.60 109 99.08 99.08 4.15e-74 PDB 4GHI "Crystal Structure Of The High Affinity Heterodimer Of Hif2 Alpha And Arnt C-terminal Pas Domains In Complex With A Benzoxadiazo" 96.64 121 99.13 99.13 1.83e-78 PDB 4GS9 "Crystal Structure Of The High Affinity Heterodimer Of Hif2 Alpha And Arnt C-terminal Pas Domains In Complex With An Inactive Be" 96.64 121 99.13 99.13 1.83e-78 PDB 4H6J "Identification Of Cys 255 In Hif-1 As A Novel Site For Development Of Covalent Inhibitors Of Hif-1 /arnt Pasb Domain Protein-pr" 96.64 116 98.26 99.13 7.84e-78 PDB 4LPZ "Arnt Transcription Factor/coactivator Complex" 100.00 119 100.00 100.00 6.32e-83 DBJ BAA19931 "Arnt [Oryctolagus cuniculus]" 98.32 790 97.44 98.29 1.84e-74 DBJ BAB40668 "Aryl hydrocarbon receptor nuclear translocator [Bos taurus]" 98.32 790 97.44 99.15 1.22e-74 DBJ BAD93114 "aryl hydrocarbon receptor nuclear translocator isoform 1 variant [Homo sapiens]" 98.32 791 99.15 99.15 4.89e-76 DBJ BAE16957 "aryl hydrocarbon receptor nuclear translocator [Phoca sibirica]" 98.32 786 98.29 99.15 2.39e-75 DBJ BAF02595 "aryl hydrocarbon receptor nuclear translocater [Mesocricetus auratus]" 98.32 778 97.44 99.15 6.15e-75 EMBL CAC21446 "aryl hydrocarbon receptor nuclear translocator, ARNT [Homo sapiens]" 98.32 789 99.15 99.15 7.05e-76 EMBL CAD38953 "hypothetical protein [Homo sapiens]" 98.32 849 99.15 99.15 3.35e-75 EMBL CAH90519 "hypothetical protein [Pongo abelii]" 98.32 789 97.44 99.15 5.17e-75 EMBL CCV01219 "aryl-hydrocarbon receptor nuclear translocator [Ovis aries]" 98.32 790 97.44 99.15 3.73e-75 GB AAA51777 "Arnt [Homo sapiens]" 98.32 789 99.15 99.15 7.05e-76 GB AAQ96598 "aryl hydrocarbon receptor nuclear translocator [Homo sapiens]" 98.32 789 99.15 99.15 7.05e-76 GB ABG67008 "aryl hydrocarbon receptor nuclear translocator [Bos taurus]" 98.32 590 98.29 99.15 1.88e-76 GB EAW53510 "aryl hydrocarbon receptor nuclear translocator, isoform CRA_a [Homo sapiens]" 98.32 789 99.15 99.15 7.05e-76 GB EAW53511 "aryl hydrocarbon receptor nuclear translocator, isoform CRA_b [Homo sapiens]" 98.32 774 99.15 99.15 5.67e-76 REF NP_001075675 "aryl hydrocarbon receptor nuclear translocator [Oryctolagus cuniculus]" 98.32 790 97.44 98.29 1.84e-74 REF NP_001125275 "aryl hydrocarbon receptor nuclear translocator [Pongo abelii]" 98.32 789 97.44 99.15 5.17e-75 REF NP_001166569 "aryl hydrocarbon receptor nuclear translocator [Cavia porcellus]" 98.32 790 97.44 98.29 1.25e-74 REF NP_001184254 "aryl hydrocarbon receptor nuclear translocator isoform 4 [Homo sapiens]" 98.32 773 99.15 99.15 5.59e-76 REF NP_001268346 "aryl hydrocarbon receptor nuclear translocator [Mesocricetus auratus]" 98.32 778 97.44 99.15 6.15e-75 SP O02748 "RecName: Full=Aryl hydrocarbon receptor nuclear translocator; Short=ARNT protein; AltName: Full=Dioxin receptor, nuclear transl" 98.32 790 97.44 98.29 1.84e-74 SP P27540 "RecName: Full=Aryl hydrocarbon receptor nuclear translocator; Short=ARNT protein; AltName: Full=Class E basic helix-loop-helix " 98.32 789 99.15 99.15 7.05e-76 SP Q9BE97 "RecName: Full=Aryl hydrocarbon receptor nuclear translocator; Short=ARNT protein [Bos taurus]" 98.32 790 97.44 99.15 1.22e-74 TPG DAA31641 "TPA: aryl hydrocarbon receptor nuclear translocator [Bos taurus]" 98.32 782 97.44 99.15 1.18e-74 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $hARNT 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 $hARNT 'recombinant technology' 'E. coli' Escherichia coli BL21 . 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 $hARNT 1 mM '[U-15N; U-13C]' 'Tris buffer' 50 mM . NaCl 17 mM . DTT 5 mM . H2O 90 % . D2O 10 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $hARNT 0.478 mM [U-15N] 'Tris buffer' 50 mM . NaCl 17 mM . DTT 5 mM . H2O 93 % . D2O 7 % . stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2.3 loop_ _Task processing stop_ _Details Delaglio save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.2.2 loop_ _Task 'data analysis' stop_ _Details Johnson save_ save_ARIA _Saveframe_category software _Name ARIA _Version 1.2 loop_ _Task 'structure solution' stop_ _Details Nilges save_ save_CNS _Saveframe_category software _Name CNS _Version 1.1 loop_ _Task 'structure solution' refinement stop_ _Details Brunger save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N_13C-seperated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N 13C-seperated NOESY' _Sample_label . save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label . save_ save_HNHA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label . save_ save_3D_CBCACONH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCACONH' _Sample_label . save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label . save_ save_3D_15N-seperated_TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-seperated TOCSY' _Sample_label . save_ save_3D_HCCH_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH TOCSY' _Sample_label . save_ save_HBCBCGCDHD_9 _Saveframe_category NMR_applied_experiment _Experiment_name HBCBCGCDHD _Sample_label . save_ save_IPAP_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name 'IPAP HSQC' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N 13C-seperated 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_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCACONH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-seperated TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name HBCBCGCDHD _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name 'IPAP HSQC' _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 6.5 . pH temperature 298 . K 'ionic strength' 17 . mM pressure 1 . atm stop_ save_ save_sample_cond_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.6 . pH temperature 310 . K 'ionic strength' 17 . 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 'methyl protons' ppm 0.0 external indirect . . . 1.000000000 DSS C 13 'methyl protons' ppm 0.0 external indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.0 external indirect . . . 0.101329118 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_ _Experiment_label '3D 15N 13C-seperated NOESY' '3D 15N-separated NOESY' HNHA '3D HNCACB' '3D CBCACONH' '3D HNCO' '3D 15N-seperated TOCSY' '3D HCCH TOCSY' HBCBCGCDHD 'IPAP HSQC' stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Aryl hydrocarbon receptor nuclear translocator' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 2 ALA HA H 3.869 0.01 1 2 . 2 ALA HB H 1.400 0.01 1 3 . 2 ALA C C 178.318 0.25 1 4 . 2 ALA CA C 53.513 0.25 1 5 . 2 ALA CB C 19.316 0.25 1 6 . 3 MET H H 8.525 0.01 1 7 . 3 MET HA H 4.513 0.01 1 8 . 3 MET HB2 H 2.118 0.01 2 9 . 3 MET HB3 H 1.962 0.01 2 10 . 3 MET HG2 H 2.570 0.01 2 11 . 3 MET HG3 H 2.460 0.01 2 12 . 3 MET C C 176.175 0.25 1 13 . 3 MET CA C 55.300 0.25 1 14 . 3 MET CB C 32.340 0.25 1 15 . 3 MET CG C 32.309 0.25 1 16 . 3 MET N N 117.552 0.15 1 17 . 4 ASP H H 8.002 0.01 1 18 . 4 ASP HA H 4.536 0.01 1 19 . 4 ASP HB2 H 2.857 0.01 2 20 . 4 ASP HB3 H 2.646 0.01 2 21 . 4 ASP C C 175.993 0.25 1 22 . 4 ASP CA C 54.815 0.25 1 23 . 4 ASP CB C 41.201 0.25 1 24 . 4 ASP N N 120.405 0.15 1 25 . 5 ASN H H 8.326 0.01 1 26 . 5 ASN HA H 4.706 0.01 1 27 . 5 ASN HB2 H 2.835 0.01 2 28 . 5 ASN HB3 H 2.750 0.01 2 29 . 5 ASN HD21 H 7.568 0.01 2 30 . 5 ASN HD22 H 6.930 0.01 2 31 . 5 ASN C C 175.139 0.25 1 32 . 5 ASN CA C 53.413 0.25 1 33 . 5 ASN CB C 38.870 0.25 1 34 . 5 ASN CG C 177.262 0.25 1 35 . 5 ASN N N 118.299 0.15 1 36 . 5 ASN ND2 N 112.208 0.15 1 37 . 6 VAL H H 7.984 0.01 1 38 . 6 VAL HA H 4.119 0.01 1 39 . 6 VAL HB H 2.102 0.01 1 40 . 6 VAL HG1 H 0.924 0.01 2 41 . 6 VAL HG2 H 0.935 0.01 2 42 . 6 VAL C C 176.091 0.25 1 43 . 6 VAL CA C 62.580 0.25 1 44 . 6 VAL CB C 32.690 0.25 1 45 . 6 VAL CG1 C 21.560 0.25 1 46 . 6 VAL CG2 C 20.776 0.25 1 47 . 6 VAL N N 119.902 0.15 1 48 . 7 CYS H H 8.426 0.01 1 49 . 7 CYS HA H 4.481 0.01 1 50 . 7 CYS HB2 H 2.919 0.01 2 51 . 7 CYS HB3 H 2.876 0.01 2 52 . 7 CYS C C 174.298 0.25 1 53 . 7 CYS CA C 58.633 0.25 1 54 . 7 CYS CB C 27.985 0.25 1 55 . 7 CYS N N 123.004 0.15 1 56 . 8 GLN H H 8.470 0.01 1 57 . 8 GLN HA H 4.631 0.01 1 58 . 8 GLN HB2 H 2.088 0.01 2 59 . 8 GLN HB3 H 1.937 0.01 2 60 . 8 GLN HG2 H 2.393 0.01 1 61 . 8 GLN HG3 H 2.393 0.01 1 62 . 8 GLN HE21 H 7.545 0.01 2 63 . 8 GLN HE22 H 6.853 0.01 2 64 . 8 GLN CA C 53.745 0.25 1 65 . 8 GLN CB C 29.011 0.25 1 66 . 8 GLN CG C 33.425 0.25 1 67 . 8 GLN CD C 180.389 0.25 1 68 . 8 GLN N N 124.211 0.15 1 69 . 8 GLN NE2 N 111.900 0.15 1 70 . 9 PRO HA H 4.580 0.01 1 71 . 9 PRO HB2 H 2.342 0.01 2 72 . 9 PRO HB3 H 1.914 0.01 2 73 . 9 PRO HG2 H 2.045 0.01 1 74 . 9 PRO HG3 H 2.045 0.01 1 75 . 9 PRO HD2 H 3.814 0.01 2 76 . 9 PRO HD3 H 3.644 0.01 2 77 . 9 PRO C C 176.567 0.25 1 78 . 9 PRO CA C 63.235 0.25 1 79 . 9 PRO CB C 32.646 0.25 1 80 . 9 PRO CG C 27.694 0.25 1 81 . 9 PRO CD C 50.774 0.25 1 82 . 10 THR H H 8.553 0.01 1 83 . 10 THR HA H 4.435 0.01 1 84 . 10 THR HB H 4.487 0.01 1 85 . 10 THR HG2 H 1.249 0.01 1 86 . 10 THR C C 172.645 0.25 1 87 . 10 THR CA C 61.253 0.25 1 88 . 10 THR CB C 69.709 0.25 1 89 . 10 THR CG2 C 22.286 0.25 1 90 . 10 THR N N 113.571 0.15 1 91 . 11 GLU H H 7.746 0.01 1 92 . 11 GLU HA H 5.557 0.01 1 93 . 11 GLU HB2 H 1.989 0.01 2 94 . 11 GLU HB3 H 1.940 0.01 2 95 . 11 GLU HG2 H 1.747 0.01 1 96 . 11 GLU HG3 H 1.747 0.01 1 97 . 11 GLU C C 173.261 0.25 1 98 . 11 GLU CA C 53.863 0.25 1 99 . 11 GLU CB C 34.845 0.25 1 100 . 11 GLU CG C 34.845 0.25 1 101 . 11 GLU N N 121.237 0.15 1 102 . 12 PHE H H 8.334 0.01 1 103 . 12 PHE HA H 5.103 0.01 1 104 . 12 PHE HB2 H 3.049 0.01 2 105 . 12 PHE HB3 H 2.679 0.01 2 106 . 12 PHE HD1 H 7.170 0.01 1 107 . 12 PHE HD2 H 7.170 0.01 1 108 . 12 PHE HE1 H 6.948 0.01 1 109 . 12 PHE HE2 H 6.948 0.01 1 110 . 12 PHE HZ H 6.948 0.01 1 111 . 12 PHE CA C 55.708 0.25 1 112 . 12 PHE CB C 42.457 0.25 1 113 . 12 PHE CD1 C 132.110 0.25 1 114 . 12 PHE CD2 C 132.110 0.25 1 115 . 12 PHE CE1 C 130.616 0.25 1 116 . 12 PHE CE2 C 130.616 0.25 1 117 . 12 PHE CZ C 130.616 0.25 1 118 . 12 PHE N N 112.450 0.15 1 119 . 13 ILE HA H 5.124 0.01 1 120 . 13 ILE HB H 1.890 0.01 1 121 . 13 ILE HG12 H 1.430 0.01 1 122 . 13 ILE HG13 H 1.220 0.01 1 123 . 13 ILE HG2 H 0.931 0.01 1 124 . 13 ILE HD1 H 0.802 0.01 1 125 . 13 ILE C C 174.694 0.25 1 126 . 13 ILE CA C 59.740 0.25 1 127 . 13 ILE CB C 39.995 0.25 1 128 . 13 ILE CG1 C 28.860 0.25 2 129 . 13 ILE CG2 C 17.682 0.25 1 130 . 13 ILE CD1 C 13.918 0.25 1 131 . 14 SER H H 9.578 0.01 1 132 . 14 SER HA H 5.358 0.01 1 133 . 14 SER HB2 H 4.396 0.01 2 134 . 14 SER HB3 H 4.072 0.01 2 135 . 14 SER C C 173.300 0.25 1 136 . 14 SER CA C 56.910 0.25 1 137 . 14 SER CB C 66.328 0.25 1 138 . 14 SER N N 119.214 0.15 1 139 . 15 ARG H H 8.825 0.01 1 140 . 15 ARG HA H 5.794 0.01 1 141 . 15 ARG HB2 H 1.578 0.01 1 142 . 15 ARG HB3 H 1.578 0.01 1 143 . 15 ARG HG2 H 1.430 0.01 1 144 . 15 ARG HG3 H 1.430 0.01 1 145 . 15 ARG HD2 H 1.910 0.01 1 146 . 15 ARG HD3 H 1.910 0.01 1 147 . 15 ARG HE H 5.815 0.01 1 148 . 15 ARG C C 175.706 0.25 1 149 . 15 ARG CA C 54.357 0.25 1 150 . 15 ARG CB C 34.700 0.25 1 151 . 15 ARG CG C 28.000 0.25 1 152 . 15 ARG CD C 43.010 0.25 1 153 . 15 ARG N N 117.060 0.15 1 154 . 16 HIS H H 9.475 0.01 1 155 . 16 HIS HA H 5.812 0.01 1 156 . 16 HIS HB2 H 2.957 0.01 2 157 . 16 HIS HB3 H 2.758 0.01 2 158 . 16 HIS HD1 H 9.460 0.01 3 159 . 16 HIS HD2 H 6.695 0.01 3 160 . 16 HIS HE1 H 7.037 0.01 3 161 . 16 HIS C C 176.441 0.25 1 162 . 16 HIS CA C 54.208 0.25 1 163 . 16 HIS CB C 34.228 0.25 1 164 . 16 HIS CD2 C 129.425 0.25 1 165 . 16 HIS CE1 C 129.825 0.25 1 166 . 16 HIS N N 120.503 0.15 1 167 . 16 HIS ND1 N 162.040 0.15 1 168 . 17 ASN H H 8.101 0.01 1 169 . 17 ASN HA H 5.153 0.01 1 170 . 17 ASN HB2 H 3.737 0.01 2 171 . 17 ASN HB3 H 2.909 0.01 2 172 . 17 ASN HD21 H 7.843 0.01 2 173 . 17 ASN HD22 H 6.638 0.01 2 174 . 17 ASN C C 176.988 0.25 1 175 . 17 ASN CA C 51.207 0.25 1 176 . 17 ASN CB C 38.152 0.25 1 177 . 17 ASN N N 118.517 0.15 1 178 . 17 ASN ND2 N 111.192 0.15 1 179 . 18 ILE H H 8.068 0.01 1 180 . 18 ILE HA H 3.894 0.01 1 181 . 18 ILE HB H 2.012 0.01 1 182 . 18 ILE HG12 H 1.426 0.01 1 183 . 18 ILE HG13 H 1.321 0.01 1 184 . 18 ILE HG2 H 0.967 0.01 1 185 . 18 ILE HD1 H 0.891 0.01 1 186 . 18 ILE C C 175.895 0.25 1 187 . 18 ILE CA C 64.535 0.25 1 188 . 18 ILE CB C 37.985 0.25 1 189 . 18 ILE CG1 C 27.536 0.25 2 190 . 18 ILE CG2 C 18.295 0.25 1 191 . 18 ILE CD1 C 14.265 0.25 1 192 . 18 ILE N N 112.743 0.15 1 193 . 19 GLU H H 7.278 0.01 1 194 . 19 GLU HA H 4.274 0.01 1 195 . 19 GLU HB2 H 2.072 0.01 1 196 . 19 GLU HB3 H 2.072 0.01 1 197 . 19 GLU HG2 H 2.259 0.01 2 198 . 19 GLU HG3 H 2.220 0.01 2 199 . 19 GLU C C 177.324 0.25 1 200 . 19 GLU CA C 56.690 0.25 1 201 . 19 GLU CB C 30.546 0.25 1 202 . 19 GLU CG C 36.936 0.25 1 203 . 19 GLU N N 115.786 0.15 1 204 . 20 GLY H H 7.977 0.01 1 205 . 20 GLY HA2 H 4.328 0.01 2 206 . 20 GLY HA3 H 2.888 0.01 2 207 . 20 GLY C C 176.329 0.25 1 208 . 20 GLY CA C 44.430 0.25 1 209 . 20 GLY N N 104.752 0.15 1 210 . 21 ILE H H 8.088 0.01 1 211 . 21 ILE HA H 4.202 0.01 1 212 . 21 ILE HB H 1.817 0.01 1 213 . 21 ILE HG12 H 1.493 0.01 1 214 . 21 ILE HG13 H 1.188 0.01 1 215 . 21 ILE HG2 H 0.727 0.01 1 216 . 21 ILE HD1 H 0.788 0.01 1 217 . 21 ILE C C 177.590 0.25 1 218 . 21 ILE CA C 60.921 0.25 1 219 . 21 ILE CB C 36.821 0.25 1 220 . 21 ILE CG1 C 28.280 0.25 2 221 . 21 ILE CG2 C 17.032 0.25 1 222 . 21 ILE CD1 C 11.563 0.25 1 223 . 21 ILE N N 126.991 0.15 1 224 . 22 PHE H H 9.006 0.01 1 225 . 22 PHE HA H 4.159 0.01 1 226 . 22 PHE HB2 H 3.584 0.01 2 227 . 22 PHE HB3 H 2.422 0.01 2 228 . 22 PHE HD1 H 7.494 0.01 1 229 . 22 PHE HD2 H 7.494 0.01 1 230 . 22 PHE HE1 H 7.325 0.01 1 231 . 22 PHE HE2 H 7.325 0.01 1 232 . 22 PHE HZ H 5.550 0.01 1 233 . 22 PHE C C 177.280 0.25 1 234 . 22 PHE CA C 59.194 0.25 1 235 . 22 PHE CB C 40.853 0.25 1 236 . 22 PHE CD1 C 134.460 0.25 1 237 . 22 PHE CD2 C 134.460 0.25 1 238 . 22 PHE CE1 C 130.170 0.25 1 239 . 22 PHE CE2 C 130.170 0.25 1 240 . 22 PHE CZ C 136.300 0.25 1 241 . 22 PHE N N 124.145 0.15 1 242 . 23 THR H H 9.686 0.01 1 243 . 23 THR HA H 4.497 0.01 1 244 . 23 THR HB H 4.386 0.01 1 245 . 23 THR HG2 H 1.198 0.01 1 246 . 23 THR C C 175.083 0.25 1 247 . 23 THR CA C 61.681 0.25 1 248 . 23 THR CB C 69.299 0.25 1 249 . 23 THR CG2 C 21.602 0.25 1 250 . 23 THR N N 117.760 0.15 1 251 . 24 PHE H H 7.781 0.01 1 252 . 24 PHE HA H 4.468 0.01 1 253 . 24 PHE HB2 H 3.364 0.01 2 254 . 24 PHE HB3 H 2.419 0.01 2 255 . 24 PHE HD1 H 7.057 0.01 1 256 . 24 PHE HD2 H 7.057 0.01 1 257 . 24 PHE HE1 H 7.196 0.01 1 258 . 24 PHE HE2 H 7.196 0.01 1 259 . 24 PHE C C 173.486 0.25 1 260 . 24 PHE CA C 59.103 0.25 1 261 . 24 PHE CB C 42.530 0.25 1 262 . 24 PHE CD1 C 131.000 0.25 1 263 . 24 PHE CD2 C 131.000 0.25 1 264 . 24 PHE CE1 C 131.100 0.25 1 265 . 24 PHE CE2 C 131.100 0.25 1 266 . 24 PHE N N 123.255 0.15 1 267 . 25 VAL H H 7.586 0.01 1 268 . 25 VAL HA H 4.423 0.01 1 269 . 25 VAL HB H 1.760 0.01 1 270 . 25 VAL HG1 H 0.815 0.01 2 271 . 25 VAL HG2 H 0.764 0.01 2 272 . 25 VAL C C 172.533 0.25 1 273 . 25 VAL CA C 61.401 0.25 1 274 . 25 VAL CB C 35.144 0.25 1 275 . 25 VAL CG1 C 23.270 0.25 1 276 . 25 VAL CG2 C 21.951 0.25 1 277 . 25 VAL N N 125.438 0.15 1 278 . 26 ASP H H 8.151 0.01 1 279 . 26 ASP HA H 4.541 0.01 1 280 . 26 ASP HB2 H 3.382 0.01 2 281 . 26 ASP HB3 H 3.028 0.01 2 282 . 26 ASP CA C 53.523 0.25 1 283 . 26 ASP CB C 42.655 0.25 1 284 . 26 ASP N N 126.498 0.15 1 285 . 27 HIS H H 8.477 0.01 1 286 . 27 HIS HA H 4.276 0.01 1 287 . 27 HIS HB2 H 3.365 0.01 2 288 . 27 HIS HB3 H 3.236 0.01 2 289 . 27 HIS HD2 H 7.111 0.01 3 290 . 27 HIS C C 177.226 0.25 1 291 . 27 HIS CA C 59.104 0.25 1 292 . 27 HIS CB C 30.123 0.25 1 293 . 27 HIS CD2 C 119.388 0.25 1 294 . 28 ARG H H 8.954 0.01 1 295 . 28 ARG HA H 4.285 0.01 1 296 . 28 ARG HB2 H 2.110 0.01 2 297 . 28 ARG HB3 H 2.300 0.01 2 298 . 28 ARG HG2 H 1.742 0.01 1 299 . 28 ARG HG3 H 1.742 0.01 1 300 . 28 ARG HD2 H 3.425 0.01 1 301 . 28 ARG HD3 H 3.425 0.01 1 302 . 28 ARG C C 178.133 0.25 1 303 . 28 ARG CA C 58.600 0.25 1 304 . 28 ARG CB C 30.248 0.25 1 305 . 28 ARG CD C 43.868 0.25 1 306 . 28 ARG N N 122.496 0.15 1 307 . 29 CYS H H 8.340 0.01 1 308 . 29 CYS HA H 3.190 0.01 1 309 . 29 CYS HB2 H 1.756 0.01 2 310 . 29 CYS HB3 H 1.575 0.01 2 311 . 29 CYS HG H 2.706 0.01 1 312 . 29 CYS C C 175.433 0.25 1 313 . 29 CYS CA C 60.214 0.25 1 314 . 29 CYS CB C 25.657 0.25 1 315 . 29 CYS N N 120.118 0.15 1 316 . 30 VAL H H 7.197 0.01 1 317 . 30 VAL HA H 3.316 0.01 1 318 . 30 VAL HB H 1.960 0.01 1 319 . 30 VAL HG1 H 0.956 0.01 2 320 . 30 VAL HG2 H 0.765 0.01 2 321 . 30 VAL C C 178.318 0.25 1 322 . 30 VAL CA C 66.101 0.25 1 323 . 30 VAL CB C 31.419 0.25 1 324 . 30 VAL CG1 C 22.732 0.25 1 325 . 30 VAL CG2 C 21.050 0.25 1 326 . 30 VAL N N 125.128 0.15 1 327 . 31 ALA H H 7.511 0.01 1 328 . 31 ALA HA H 4.109 0.01 1 329 . 31 ALA HB H 1.459 0.01 1 330 . 31 ALA C C 178.430 0.25 1 331 . 31 ALA CA C 53.876 0.25 1 332 . 31 ALA CB C 19.367 0.25 1 333 . 31 ALA N N 120.851 0.15 1 334 . 32 THR H H 7.446 0.01 1 335 . 32 THR HA H 4.136 0.01 1 336 . 32 THR HB H 3.837 0.01 1 337 . 32 THR HG2 H 1.182 0.01 1 338 . 32 THR C C 175.741 0.25 1 339 . 32 THR CA C 65.296 0.25 1 340 . 32 THR CB C 68.853 0.25 1 341 . 32 THR CG2 C 22.277 0.25 1 342 . 32 THR N N 109.916 0.15 1 343 . 33 VAL H H 7.991 0.01 1 344 . 33 VAL HA H 4.525 0.01 1 345 . 33 VAL HB H 2.503 0.01 1 346 . 33 VAL HG1 H 0.338 0.01 2 347 . 33 VAL HG2 H 0.508 0.01 2 348 . 33 VAL C C 175.531 0.25 1 349 . 33 VAL CA C 60.664 0.25 1 350 . 33 VAL CB C 34.167 0.25 1 351 . 33 VAL CG1 C 22.952 0.25 1 352 . 33 VAL CG2 C 20.415 0.25 1 353 . 33 VAL N N 132.511 0.15 1 354 . 34 GLY H H 7.460 0.01 1 355 . 34 GLY HA2 H 4.108 0.01 2 356 . 34 GLY HA3 H 3.836 0.01 2 357 . 34 GLY C C 173.710 0.25 1 358 . 34 GLY CA C 46.652 0.25 1 359 . 34 GLY N N 110.100 0.15 1 360 . 35 TYR H H 6.175 0.01 1 361 . 35 TYR HA H 4.386 0.01 1 362 . 35 TYR HB2 H 2.963 0.01 2 363 . 35 TYR HB3 H 1.811 0.01 2 364 . 35 TYR HD1 H 6.870 0.01 1 365 . 35 TYR HD2 H 6.870 0.01 1 366 . 35 TYR HE1 H 7.250 0.01 1 367 . 35 TYR HE2 H 7.250 0.01 1 368 . 35 TYR C C 174.718 0.25 1 369 . 35 TYR CA C 57.553 0.25 1 370 . 35 TYR CB C 40.633 0.25 1 371 . 35 TYR CD1 C 132.700 0.25 3 372 . 35 TYR CD2 C 132.963 0.25 3 373 . 35 TYR CE1 C 118.060 0.25 1 374 . 35 TYR CE2 C 118.060 0.25 1 375 . 35 TYR N N 117.177 0.15 1 376 . 36 GLN H H 9.081 0.01 1 377 . 36 GLN HA H 4.241 0.01 1 378 . 36 GLN HB2 H 2.353 0.01 2 379 . 36 GLN HB3 H 1.610 0.01 2 380 . 36 GLN HG2 H 2.465 0.01 1 381 . 36 GLN HG3 H 2.465 0.01 1 382 . 36 GLN HE21 H 7.605 0.01 2 383 . 36 GLN HE22 H 6.822 0.01 2 384 . 36 GLN CA C 53.793 0.25 1 385 . 36 GLN CB C 27.546 0.25 1 386 . 36 GLN CG C 33.500 0.25 1 387 . 36 GLN N N 117.706 0.15 1 388 . 36 GLN NE2 N 112.982 0.15 1 389 . 37 PRO HA H 3.674 0.01 1 390 . 37 PRO HB2 H 2.080 0.01 2 391 . 37 PRO HB3 H 1.805 0.01 2 392 . 37 PRO HG2 H 1.962 0.01 2 393 . 37 PRO HG3 H 1.700 0.01 2 394 . 37 PRO HD2 H 3.754 0.01 2 395 . 37 PRO HD3 H 3.325 0.01 2 396 . 37 PRO C C 178.416 0.25 1 397 . 37 PRO CA C 66.495 0.25 1 398 . 37 PRO CB C 31.725 0.25 1 399 . 37 PRO CG C 27.648 0.25 1 400 . 37 PRO CD C 49.517 0.25 1 401 . 38 GLN H H 8.875 0.01 1 402 . 38 GLN HA H 3.925 0.01 1 403 . 38 GLN HB2 H 2.052 0.01 1 404 . 38 GLN HB3 H 2.052 0.01 1 405 . 38 GLN HG2 H 2.424 0.01 2 406 . 38 GLN HG3 H 2.346 0.01 2 407 . 38 GLN HE21 H 7.609 0.01 2 408 . 38 GLN HE22 H 6.927 0.01 2 409 . 38 GLN C C 176.890 0.25 1 410 . 38 GLN CA C 58.576 0.25 1 411 . 38 GLN CB C 27.446 0.25 1 412 . 38 GLN CG C 33.491 0.25 1 413 . 38 GLN CD C 180.681 0.25 1 414 . 38 GLN N N 112.713 0.15 1 415 . 38 GLN NE2 N 111.900 0.15 1 416 . 39 GLU H H 7.796 0.01 1 417 . 39 GLU HA H 4.141 0.01 1 418 . 39 GLU HB2 H 2.421 0.01 2 419 . 39 GLU HB3 H 2.222 0.01 2 420 . 39 GLU HG2 H 2.255 0.01 1 421 . 39 GLU HG3 H 2.255 0.01 1 422 . 39 GLU C C 175.559 0.25 1 423 . 39 GLU CA C 57.682 0.25 1 424 . 39 GLU CB C 31.028 0.25 1 425 . 39 GLU CG C 39.045 0.25 1 426 . 39 GLU N N 117.403 0.15 1 427 . 40 LEU H H 6.910 0.01 1 428 . 40 LEU HA H 3.912 0.01 1 429 . 40 LEU HB2 H 0.978 0.01 2 430 . 40 LEU HB3 H -0.345 0.01 2 431 . 40 LEU HG H 0.762 0.01 1 432 . 40 LEU HD1 H -0.585 0.01 2 433 . 40 LEU HD2 H 0.062 0.01 2 434 . 40 LEU C C 176.133 0.25 1 435 . 40 LEU CA C 55.321 0.25 1 436 . 40 LEU CB C 42.700 0.25 1 437 . 40 LEU CG C 26.200 0.25 1 438 . 40 LEU CD1 C 22.700 0.25 1 439 . 40 LEU CD2 C 25.518 0.25 1 440 . 40 LEU N N 116.885 0.15 1 441 . 41 LEU H H 7.294 0.01 1 442 . 41 LEU HA H 3.651 0.01 1 443 . 41 LEU HB2 H 1.498 0.01 2 444 . 41 LEU HB3 H 1.331 0.01 2 445 . 41 LEU HG H 1.515 0.01 1 446 . 41 LEU HD1 H 0.737 0.01 2 447 . 41 LEU HD2 H 0.607 0.01 2 448 . 41 LEU C C 177.856 0.25 1 449 . 41 LEU CA C 56.624 0.25 1 450 . 41 LEU CB C 42.124 0.25 1 451 . 41 LEU CG C 26.890 0.25 1 452 . 41 LEU CD1 C 24.819 0.25 1 453 . 41 LEU CD2 C 23.117 0.25 1 454 . 41 LEU N N 116.188 0.15 1 455 . 42 GLY H H 8.613 0.01 1 456 . 42 GLY HA2 H 4.333 0.01 2 457 . 42 GLY HA3 H 3.533 0.01 2 458 . 42 GLY C C 174.004 0.25 1 459 . 42 GLY CA C 45.587 0.25 1 460 . 42 GLY N N 109.150 0.15 1 461 . 43 LYS H H 8.289 0.01 1 462 . 43 LYS HA H 4.729 0.01 1 463 . 43 LYS HB2 H 1.950 0.01 2 464 . 43 LYS HB3 H 2.274 0.01 2 465 . 43 LYS HG2 H 1.358 0.01 2 466 . 43 LYS HG3 H 1.440 0.01 2 467 . 43 LYS HD2 H 1.657 0.01 2 468 . 43 LYS HD3 H 1.784 0.01 2 469 . 43 LYS HE2 H 2.988 0.01 2 470 . 43 LYS C C 175.279 0.25 1 471 . 43 LYS CA C 54.563 0.25 1 472 . 43 LYS CB C 34.436 0.25 1 473 . 43 LYS CG C 25.700 0.25 1 474 . 43 LYS CD C 29.046 0.25 1 475 . 43 LYS CE C 42.560 0.25 1 476 . 43 LYS N N 120.296 0.15 1 477 . 44 ASN H H 9.477 0.01 1 478 . 44 ASN HA H 4.543 0.01 1 479 . 44 ASN HB2 H 2.766 0.01 2 480 . 44 ASN HB3 H 2.560 0.01 2 481 . 44 ASN HD21 H 6.769 0.01 2 482 . 44 ASN HD22 H 7.618 0.01 2 483 . 44 ASN C C 177.170 0.25 1 484 . 44 ASN CA C 53.703 0.25 1 485 . 44 ASN CB C 40.227 0.25 1 486 . 44 ASN N N 122.347 0.15 1 487 . 44 ASN ND2 N 112.726 0.15 1 488 . 45 ILE H H 7.670 0.01 1 489 . 45 ILE HA H 4.332 0.01 1 490 . 45 ILE HB H 1.293 0.01 1 491 . 45 ILE HG12 H 1.706 0.01 1 492 . 45 ILE HG13 H 1.310 0.01 1 493 . 45 ILE HG2 H 0.550 0.01 1 494 . 45 ILE HD1 H 0.933 0.01 1 495 . 45 ILE C C 175.699 0.25 1 496 . 45 ILE CA C 65.143 0.25 1 497 . 45 ILE CB C 38.232 0.25 1 498 . 45 ILE CG1 C 28.990 0.25 2 499 . 45 ILE CG2 C 15.080 0.25 1 500 . 45 ILE CD1 C 13.223 0.25 1 501 . 45 ILE N N 128.777 0.15 1 502 . 46 VAL H H 8.662 0.01 1 503 . 46 VAL HA H 3.520 0.01 1 504 . 46 VAL HB H 1.832 0.01 1 505 . 46 VAL HG1 H 0.802 0.01 2 506 . 46 VAL HG2 H 0.058 0.01 2 507 . 46 VAL C C 177.926 0.25 1 508 . 46 VAL CA C 65.630 0.25 1 509 . 46 VAL CB C 31.404 0.25 1 510 . 46 VAL CG1 C 22.050 0.25 1 511 . 46 VAL CG2 C 26.593 0.25 1 512 . 46 VAL N N 119.354 0.15 1 513 . 47 GLU H H 7.874 0.01 1 514 . 47 GLU HA H 3.970 0.01 1 515 . 47 GLU HB2 H 1.961 0.01 2 516 . 47 GLU HB3 H 1.778 0.01 2 517 . 47 GLU HG2 H 2.121 0.01 1 518 . 47 GLU HG3 H 2.121 0.01 1 519 . 47 GLU C C 177.520 0.25 1 520 . 47 GLU CA C 58.366 0.25 1 521 . 47 GLU CB C 29.092 0.25 1 522 . 47 GLU CG C 37.682 0.25 1 523 . 47 GLU N N 117.899 0.15 1 524 . 48 PHE H H 7.659 0.01 1 525 . 48 PHE HA H 4.151 0.01 1 526 . 48 PHE HB2 H 2.300 0.01 1 527 . 48 PHE HB3 H 2.300 0.01 1 528 . 48 PHE HD1 H 7.198 0.01 1 529 . 48 PHE HD2 H 7.198 0.01 1 530 . 48 PHE HE1 H 6.818 0.01 1 531 . 48 PHE HE2 H 6.818 0.01 1 532 . 48 PHE HZ H 6.936 0.01 1 533 . 48 PHE C C 172.946 0.25 1 534 . 48 PHE CA C 57.887 0.25 1 535 . 48 PHE CB C 39.647 0.25 1 536 . 48 PHE CD1 C 131.792 0.25 3 537 . 48 PHE CD2 C 131.992 0.25 3 538 . 48 PHE CE1 C 130.300 0.25 1 539 . 48 PHE CE2 C 130.300 0.25 1 540 . 48 PHE CZ C 129.147 0.25 1 541 . 48 PHE N N 117.296 0.15 1 542 . 49 CYS H H 7.404 0.01 1 543 . 49 CYS HA H 5.556 0.01 1 544 . 49 CYS HB2 H 3.204 0.01 2 545 . 49 CYS HB3 H 2.360 0.01 2 546 . 49 CYS C C 174.309 0.25 1 547 . 49 CYS CA C 56.984 0.25 1 548 . 49 CYS CB C 28.938 0.25 1 549 . 49 CYS N N 119.872 0.15 1 550 . 50 HIS H H 8.819 0.01 1 551 . 50 HIS HA H 3.785 0.01 1 552 . 50 HIS HB2 H 2.600 0.01 2 553 . 50 HIS HB3 H 1.885 0.01 2 554 . 50 HIS HD2 H 4.224 0.01 3 555 . 50 HIS HE1 H 7.408 0.01 3 556 . 50 HIS HE2 H 7.427 0.01 3 557 . 50 HIS CA C 56.984 0.25 1 558 . 50 HIS CB C 32.400 0.25 1 559 . 50 HIS CD2 C 115.737 0.25 1 560 . 50 HIS CE1 C 137.450 0.25 1 561 . 50 HIS N N 133.760 0.15 1 562 . 51 PRO HA H 4.105 0.01 1 563 . 51 PRO HB2 H 2.340 0.01 2 564 . 51 PRO HB3 H 1.896 0.01 2 565 . 51 PRO HG2 H 1.878 0.01 1 566 . 51 PRO HG3 H 1.878 0.01 1 567 . 51 PRO HD2 H 3.482 0.01 2 568 . 51 PRO HD3 H 2.205 0.01 2 569 . 51 PRO C C 179.483 0.25 1 570 . 51 PRO CA C 66.211 0.25 1 571 . 51 PRO CB C 32.607 0.25 1 572 . 51 PRO CG C 27.522 0.25 1 573 . 51 PRO CD C 50.868 0.25 1 574 . 52 GLU H H 11.121 0.01 1 575 . 52 GLU HA H 4.147 0.01 1 576 . 52 GLU HB2 H 2.030 0.01 2 577 . 52 GLU HB3 H 1.918 0.01 2 578 . 52 GLU HG2 H 2.437 0.01 1 579 . 52 GLU HG3 H 2.437 0.01 1 580 . 52 GLU C C 177.671 0.25 1 581 . 52 GLU CA C 58.621 0.25 1 582 . 52 GLU CB C 29.436 0.25 1 583 . 52 GLU CG C 37.500 0.25 1 584 . 52 GLU N N 119.692 0.15 1 585 . 53 ASP H H 8.205 0.01 1 586 . 53 ASP HA H 4.966 0.01 1 587 . 53 ASP HB2 H 3.160 0.01 2 588 . 53 ASP HB3 H 2.838 0.01 2 589 . 53 ASP C C 175.789 0.25 1 590 . 53 ASP CA C 54.216 0.25 1 591 . 53 ASP CB C 43.641 0.25 1 592 . 53 ASP N N 117.869 0.15 1 593 . 54 GLN H H 7.088 0.01 1 594 . 54 GLN HA H 4.057 0.01 1 595 . 54 GLN HB2 H 2.040 0.01 2 596 . 54 GLN HB3 H 1.833 0.01 2 597 . 54 GLN HG2 H 2.896 0.01 2 598 . 54 GLN HG3 H 2.218 0.01 2 599 . 54 GLN HE21 H 7.229 0.01 2 600 . 54 GLN HE22 H 6.950 0.01 2 601 . 54 GLN C C 177.574 0.25 1 602 . 54 GLN CA C 60.491 0.25 1 603 . 54 GLN CB C 28.486 0.25 1 604 . 54 GLN CG C 35.639 0.25 1 605 . 54 GLN N N 119.858 0.15 1 606 . 54 GLN NE2 N 111.056 0.15 1 607 . 55 GLN H H 8.740 0.01 1 608 . 55 GLN HA H 3.847 0.01 1 609 . 55 GLN HB2 H 2.098 0.01 1 610 . 55 GLN HB3 H 2.098 0.01 1 611 . 55 GLN HG2 H 2.410 0.01 1 612 . 55 GLN HG3 H 2.410 0.01 1 613 . 55 GLN HE21 H 7.952 0.01 2 614 . 55 GLN HE22 H 6.952 0.01 2 615 . 55 GLN C C 177.422 0.25 1 616 . 55 GLN CA C 59.037 0.25 1 617 . 55 GLN CB C 27.531 0.25 1 618 . 55 GLN CG C 33.393 0.25 1 619 . 55 GLN N N 119.516 0.15 1 620 . 55 GLN NE2 N 116.090 0.15 1 621 . 56 LEU H H 7.875 0.01 1 622 . 56 LEU HA H 4.188 0.01 1 623 . 56 LEU HB2 H 1.831 0.01 2 624 . 56 LEU HB3 H 1.862 0.01 2 625 . 56 LEU HG H 1.730 0.01 1 626 . 56 LEU HD1 H 1.106 0.01 2 627 . 56 LEU HD2 H 1.081 0.01 2 628 . 56 LEU C C 180.382 0.25 1 629 . 56 LEU CA C 57.872 0.25 1 630 . 56 LEU CB C 41.616 0.25 1 631 . 56 LEU CG C 26.880 0.25 1 632 . 56 LEU CD1 C 25.573 0.25 1 633 . 56 LEU CD2 C 24.910 0.25 1 634 . 56 LEU N N 120.260 0.15 1 635 . 57 LEU H H 7.797 0.01 1 636 . 57 LEU HA H 3.960 0.01 1 637 . 57 LEU HB2 H 1.674 0.01 2 638 . 57 LEU HB3 H 1.096 0.01 2 639 . 57 LEU HG H 1.105 0.01 1 640 . 57 LEU HD1 H 0.062 0.01 2 641 . 57 LEU HD2 H 0.258 0.01 2 642 . 57 LEU C C 178.888 0.25 1 643 . 57 LEU CA C 57.925 0.25 1 644 . 57 LEU CB C 42.218 0.25 1 645 . 57 LEU CG C 26.400 0.25 1 646 . 57 LEU CD1 C 26.361 0.25 1 647 . 57 LEU CD2 C 22.932 0.25 1 648 . 57 LEU N N 122.122 0.15 1 649 . 58 ARG H H 8.630 0.01 1 650 . 58 ARG HA H 3.860 0.01 1 651 . 58 ARG HB2 H 1.863 0.01 2 652 . 58 ARG HB3 H 1.821 0.01 2 653 . 58 ARG HG2 H 1.780 0.01 2 654 . 58 ARG HG3 H 1.569 0.01 2 655 . 58 ARG HD2 H 3.202 0.01 2 656 . 58 ARG HD3 H 3.106 0.01 2 657 . 58 ARG HE H 7.273 0.01 1 658 . 58 ARG C C 180.119 0.25 1 659 . 58 ARG CA C 60.381 0.25 1 660 . 58 ARG CB C 30.324 0.25 1 661 . 58 ARG CG C 28.657 0.25 1 662 . 58 ARG CD C 43.520 0.25 1 663 . 58 ARG N N 119.936 0.15 1 664 . 58 ARG NE N 84.950 0.15 1 665 . 59 ASP H H 8.885 0.01 1 666 . 59 ASP HA H 4.386 0.01 1 667 . 59 ASP HB2 H 2.878 0.01 2 668 . 59 ASP HB3 H 2.630 0.01 2 669 . 59 ASP C C 179.040 0.25 1 670 . 59 ASP CA C 57.553 0.25 1 671 . 59 ASP CB C 40.209 0.25 1 672 . 59 ASP N N 119.748 0.15 1 673 . 60 SER H H 7.982 0.01 1 674 . 60 SER HA H 4.124 0.01 1 675 . 60 SER HB2 H 4.124 0.01 2 676 . 60 SER HB3 H 3.920 0.01 2 677 . 60 SER HG H 5.196 0.01 1 678 . 60 SER C C 175.933 0.25 1 679 . 60 SER CA C 62.676 0.25 1 680 . 60 SER CB C 62.896 0.25 1 681 . 60 SER N N 117.294 0.15 1 682 . 61 PHE H H 7.854 0.01 1 683 . 61 PHE HA H 3.991 0.01 1 684 . 61 PHE HB2 H 3.032 0.01 2 685 . 61 PHE HB3 H 2.940 0.01 2 686 . 61 PHE HD1 H 7.037 0.01 1 687 . 61 PHE HD2 H 7.037 0.01 1 688 . 61 PHE HE1 H 6.687 0.01 1 689 . 61 PHE HE2 H 6.687 0.01 1 690 . 61 PHE HZ H 6.312 0.01 1 691 . 61 PHE C C 178.169 0.25 1 692 . 61 PHE CA C 61.973 0.25 1 693 . 61 PHE CB C 38.552 0.25 1 694 . 61 PHE CD1 C 129.950 0.25 3 695 . 61 PHE CD2 C 131.312 0.25 3 696 . 61 PHE CE1 C 129.950 0.25 3 697 . 61 PHE CE2 C 130.721 0.25 3 698 . 61 PHE CZ C 128.500 0.25 1 699 . 61 PHE N N 120.999 0.15 1 700 . 62 GLN H H 7.706 0.01 1 701 . 62 GLN HA H 4.121 0.01 1 702 . 62 GLN HB2 H 2.270 0.01 2 703 . 62 GLN HB3 H 2.177 0.01 2 704 . 62 GLN HG2 H 2.581 0.01 2 705 . 62 GLN HG3 H 2.396 0.01 2 706 . 62 GLN HE21 H 7.518 0.01 2 707 . 62 GLN HE22 H 6.873 0.01 2 708 . 62 GLN C C 178.805 0.25 1 709 . 62 GLN CA C 58.764 0.25 1 710 . 62 GLN CB C 28.720 0.25 1 711 . 62 GLN CG C 34.389 0.25 1 712 . 62 GLN CD C 180.300 0.25 1 713 . 62 GLN N N 116.992 0.15 1 714 . 62 GLN NE2 N 111.800 0.15 1 715 . 63 GLN H H 8.254 0.01 1 716 . 63 GLN HA H 4.075 0.01 1 717 . 63 GLN HB2 H 2.134 0.01 2 718 . 63 GLN HB3 H 2.034 0.01 2 719 . 63 GLN HG2 H 2.440 0.01 1 720 . 63 GLN HG3 H 2.440 0.01 1 721 . 63 GLN HE21 H 7.308 0.01 2 722 . 63 GLN HE22 H 6.798 0.01 2 723 . 63 GLN C C 178.929 0.25 1 724 . 63 GLN CA C 58.366 0.25 1 725 . 63 GLN CB C 28.832 0.25 1 726 . 63 GLN CG C 33.724 0.25 1 727 . 63 GLN CD C 179.865 0.25 1 728 . 63 GLN N N 118.945 0.15 1 729 . 63 GLN NE2 N 110.800 0.15 1 730 . 64 VAL H H 8.538 0.01 1 731 . 64 VAL HA H 3.736 0.01 1 732 . 64 VAL HB H 2.135 0.01 1 733 . 64 VAL HG1 H 0.981 0.01 2 734 . 64 VAL HG2 H 0.832 0.01 2 735 . 64 VAL C C 177.297 0.25 1 736 . 64 VAL CA C 65.896 0.25 1 737 . 64 VAL CB C 31.225 0.25 1 738 . 64 VAL CG1 C 23.894 0.25 1 739 . 64 VAL CG2 C 21.271 0.25 1 740 . 64 VAL N N 119.790 0.15 1 741 . 65 VAL H H 6.759 0.01 1 742 . 65 VAL HA H 3.811 0.01 1 743 . 65 VAL HB H 2.208 0.01 1 744 . 65 VAL HG1 H 1.050 0.01 2 745 . 65 VAL HG2 H 0.981 0.01 2 746 . 65 VAL C C 177.585 0.25 1 747 . 65 VAL CA C 64.715 0.25 1 748 . 65 VAL CB C 31.787 0.25 1 749 . 65 VAL CG1 C 22.031 0.25 1 750 . 65 VAL CG2 C 21.545 0.25 1 751 . 65 VAL N N 116.100 0.15 1 752 . 66 LYS H H 7.404 0.01 1 753 . 66 LYS HA H 4.200 0.01 1 754 . 66 LYS HB2 H 1.957 0.01 2 755 . 66 LYS HB3 H 1.884 0.01 2 756 . 66 LYS HG2 H 1.568 0.01 2 757 . 66 LYS HG3 H 1.440 0.01 2 758 . 66 LYS HD2 H 1.679 0.01 1 759 . 66 LYS HD3 H 1.679 0.01 1 760 . 66 LYS HE2 H 2.975 0.01 1 761 . 66 LYS HE3 H 2.975 0.01 1 762 . 66 LYS C C 177.837 0.25 1 763 . 66 LYS CA C 57.897 0.25 1 764 . 66 LYS CB C 32.881 0.25 1 765 . 66 LYS CG C 25.341 0.25 1 766 . 66 LYS CD C 29.204 0.25 1 767 . 66 LYS CE C 38.800 0.25 1 768 . 66 LYS N N 119.872 0.15 1 769 . 67 LEU H H 7.757 0.01 1 770 . 67 LEU HA H 4.377 0.01 1 771 . 67 LEU HB2 H 1.800 0.01 2 772 . 67 LEU HB3 H 1.525 0.01 2 773 . 67 LEU HG H 1.730 0.01 1 774 . 67 LEU HD1 H 0.853 0.01 2 775 . 67 LEU HD2 H 0.806 0.01 2 776 . 67 LEU C C 176.810 0.25 1 777 . 67 LEU CA C 54.253 0.25 1 778 . 67 LEU CB C 41.551 0.25 1 779 . 67 LEU CG C 26.705 0.25 1 780 . 67 LEU CD1 C 22.434 0.25 1 781 . 67 LEU CD2 C 22.434 0.25 1 782 . 67 LEU N N 119.734 0.15 1 783 . 68 LYS H H 7.552 0.01 1 784 . 68 LYS HA H 3.996 0.01 1 785 . 68 LYS HB2 H 1.834 0.01 2 786 . 68 LYS HB3 H 1.741 0.01 2 787 . 68 LYS HG2 H 1.405 0.01 2 788 . 68 LYS HG3 H 1.307 0.01 2 789 . 68 LYS HD2 H 1.668 0.01 1 790 . 68 LYS HD3 H 1.668 0.01 1 791 . 68 LYS HE2 H 2.975 0.01 1 792 . 68 LYS HE3 H 2.975 0.01 1 793 . 68 LYS C C 176.702 0.25 1 794 . 68 LYS CA C 57.736 0.25 1 795 . 68 LYS CB C 31.641 0.25 1 796 . 68 LYS CG C 24.892 0.25 1 797 . 68 LYS CD C 29.490 0.25 1 798 . 68 LYS CE C 42.285 0.25 1 799 . 68 LYS N N 117.932 0.15 1 800 . 69 GLY H H 8.583 0.01 1 801 . 69 GLY HA2 H 4.378 0.01 2 802 . 69 GLY HA3 H 3.890 0.01 2 803 . 69 GLY C C 174.240 0.25 1 804 . 69 GLY CA C 45.582 0.25 1 805 . 69 GLY N N 111.508 0.15 1 806 . 70 GLN H H 7.591 0.01 1 807 . 70 GLN HA H 4.569 0.01 1 808 . 70 GLN HB2 H 2.195 0.01 2 809 . 70 GLN HB3 H 2.028 0.01 2 810 . 70 GLN HG2 H 2.397 0.01 1 811 . 70 GLN HG3 H 2.397 0.01 1 812 . 70 GLN HE21 H 7.668 0.01 2 813 . 70 GLN HE22 H 6.908 0.01 2 814 . 70 GLN C C 175.070 0.25 1 815 . 70 GLN CA C 55.176 0.25 1 816 . 70 GLN CB C 30.000 0.25 1 817 . 70 GLN CG C 34.097 0.25 1 818 . 70 GLN N N 118.403 0.15 1 819 . 70 GLN NE2 N 113.230 0.15 1 820 . 71 VAL H H 8.360 0.01 1 821 . 71 VAL HA H 4.856 0.01 1 822 . 71 VAL HB H 1.939 0.01 1 823 . 71 VAL HG1 H 0.903 0.01 4 824 . 71 VAL HG2 H 0.903 0.01 4 825 . 71 VAL C C 176.177 0.25 1 826 . 71 VAL CA C 61.894 0.25 1 827 . 71 VAL CB C 33.201 0.25 1 828 . 71 VAL CG1 C 21.712 0.25 1 829 . 71 VAL CG2 C 21.712 0.25 1 830 . 71 VAL N N 121.432 0.15 1 831 . 72 LEU H H 8.911 0.01 1 832 . 72 LEU HA H 4.765 0.01 1 833 . 72 LEU HB2 H 1.640 0.01 2 834 . 72 LEU HB3 H 1.432 0.01 2 835 . 72 LEU HG H 1.591 0.01 1 836 . 72 LEU HD1 H 0.902 0.01 2 837 . 72 LEU HD2 H 0.845 0.01 2 838 . 72 LEU C C 175.845 0.25 1 839 . 72 LEU CA C 53.770 0.25 1 840 . 72 LEU CB C 45.312 0.25 1 841 . 72 LEU CG C 27.600 0.25 1 842 . 72 LEU CD1 C 24.949 0.25 1 843 . 72 LEU CD2 C 25.800 0.25 1 844 . 72 LEU N N 129.612 0.15 1 845 . 73 SER H H 8.558 0.01 1 846 . 73 SER HA H 5.894 0.01 1 847 . 73 SER HB2 H 3.644 0.01 1 848 . 73 SER HB3 H 3.644 0.01 1 849 . 73 SER C C 173.299 0.25 1 850 . 73 SER CA C 57.031 0.25 1 851 . 73 SER CB C 65.635 0.25 1 852 . 73 SER N N 118.130 0.15 1 853 . 74 VAL H H 9.057 0.01 1 854 . 74 VAL HA H 4.664 0.01 1 855 . 74 VAL HB H 2.072 0.01 1 856 . 74 VAL HG1 H 1.022 0.01 2 857 . 74 VAL HG2 H 0.979 0.01 2 858 . 74 VAL C C 171.957 0.25 1 859 . 74 VAL CA C 60.238 0.25 1 860 . 74 VAL CB C 35.909 0.25 1 861 . 74 VAL CG1 C 21.379 0.25 1 862 . 74 VAL CG2 C 20.071 0.25 1 863 . 74 VAL N N 123.664 0.15 1 864 . 75 MET H H 8.227 0.01 1 865 . 75 MET HA H 6.164 0.01 1 866 . 75 MET HB2 H 2.161 0.01 2 867 . 75 MET HB3 H 1.975 0.01 2 868 . 75 MET HG2 H 2.641 0.01 2 869 . 75 MET HG3 H 2.536 0.01 2 870 . 75 MET HE H 1.853 0.01 1 871 . 75 MET C C 175.153 0.25 1 872 . 75 MET CA C 53.924 0.25 1 873 . 75 MET CB C 35.361 0.25 1 874 . 75 MET CG C 32.127 0.25 1 875 . 75 MET CE C 17.123 0.25 1 876 . 75 MET N N 124.869 0.15 1 877 . 76 PHE H H 9.270 0.01 1 878 . 76 PHE HA H 4.970 0.01 1 879 . 76 PHE HB2 H 3.233 0.01 2 880 . 76 PHE HB3 H 3.165 0.01 2 881 . 76 PHE HD1 H 7.310 0.01 1 882 . 76 PHE HD2 H 7.310 0.01 1 883 . 76 PHE HE1 H 7.474 0.01 1 884 . 76 PHE HE2 H 7.474 0.01 1 885 . 76 PHE C C 171.912 0.25 1 886 . 76 PHE CA C 56.451 0.25 1 887 . 76 PHE CB C 41.327 0.25 1 888 . 76 PHE CD1 C 132.750 0.25 1 889 . 76 PHE CD2 C 132.750 0.25 1 890 . 76 PHE CE1 C 130.780 0.25 3 891 . 76 PHE CE2 C 131.007 0.25 3 892 . 76 PHE N N 120.652 0.15 1 893 . 77 ARG H H 8.851 0.01 1 894 . 77 ARG HA H 4.552 0.01 1 895 . 77 ARG HB2 H 1.429 0.01 2 896 . 77 ARG HB3 H 1.244 0.01 2 897 . 77 ARG HG2 H -0.688 0.01 2 898 . 77 ARG HG3 H -0.048 0.01 2 899 . 77 ARG HD2 H 2.196 0.01 2 900 . 77 ARG HD3 H 1.820 0.01 2 901 . 77 ARG C C 173.698 0.25 1 902 . 77 ARG CA C 54.824 0.25 1 903 . 77 ARG CB C 32.300 0.25 1 904 . 77 ARG CG C 24.090 0.25 1 905 . 77 ARG CD C 43.833 0.25 1 906 . 77 ARG N N 120.385 0.15 1 907 . 78 PHE H H 9.546 0.01 1 908 . 78 PHE HA H 5.460 0.01 1 909 . 78 PHE HB2 H 3.246 0.01 2 910 . 78 PHE HB3 H 2.705 0.01 2 911 . 78 PHE HD1 H 7.309 0.01 1 912 . 78 PHE HD2 H 7.309 0.01 1 913 . 78 PHE HE1 H 6.605 0.01 1 914 . 78 PHE HE2 H 6.605 0.01 1 915 . 78 PHE HZ H 6.763 0.01 1 916 . 78 PHE C C 175.738 0.25 1 917 . 78 PHE CA C 55.625 0.25 1 918 . 78 PHE CB C 44.394 0.25 1 919 . 78 PHE CD1 C 132.000 0.25 1 920 . 78 PHE CD2 C 132.000 0.25 1 921 . 78 PHE CE1 C 128.000 0.25 1 922 . 78 PHE CE2 C 128.000 0.25 1 923 . 78 PHE CZ C 128.005 0.25 1 924 . 78 PHE N N 128.557 0.15 1 925 . 79 ARG H H 9.269 0.01 1 926 . 79 ARG HA H 4.068 0.01 1 927 . 79 ARG HB2 H 1.780 0.01 2 928 . 79 ARG HB3 H 1.348 0.01 2 929 . 79 ARG HG2 H 1.278 0.01 2 930 . 79 ARG HG3 H 0.660 0.01 2 931 . 79 ARG HD2 H 2.526 0.01 2 932 . 79 ARG HD3 H 2.120 0.01 2 933 . 79 ARG C C 175.484 0.25 1 934 . 79 ARG CA C 55.553 0.25 1 935 . 79 ARG CB C 29.773 0.25 1 936 . 79 ARG CG C 26.445 0.25 1 937 . 79 ARG CD C 42.863 0.25 1 938 . 79 ARG N N 130.302 0.15 1 939 . 80 SER H H 9.208 0.01 1 940 . 80 SER HA H 4.775 0.01 1 941 . 80 SER HB2 H 4.280 0.01 2 942 . 80 SER HB3 H 3.972 0.01 2 943 . 80 SER HG H 5.769 0.01 1 944 . 80 SER C C 174.978 0.25 1 945 . 80 SER CA C 58.366 0.25 1 946 . 80 SER CB C 64.915 0.25 1 947 . 80 SER N N 127.943 0.15 1 948 . 81 LYS H H 7.837 0.01 1 949 . 81 LYS HA H 3.587 0.01 1 950 . 81 LYS HB2 H 1.356 0.01 2 951 . 81 LYS HB3 H 0.221 0.01 2 952 . 81 LYS HG2 H 1.260 0.01 2 953 . 81 LYS HG3 H 1.089 0.01 2 954 . 81 LYS HD2 H 1.481 0.01 2 955 . 81 LYS HD3 H 1.348 0.01 2 956 . 81 LYS HE2 H 2.898 0.01 1 957 . 81 LYS HE3 H 2.898 0.01 1 958 . 81 LYS C C 177.345 0.25 1 959 . 81 LYS CA C 59.099 0.25 1 960 . 81 LYS CB C 31.754 0.25 1 961 . 81 LYS CG C 25.089 0.25 1 962 . 81 LYS CD C 29.461 0.25 1 963 . 81 LYS CE C 42.395 0.25 1 964 . 81 LYS N N 123.824 0.15 1 965 . 82 ASN H H 7.940 0.01 1 966 . 82 ASN HA H 4.655 0.01 1 967 . 82 ASN HB2 H 2.759 0.01 1 968 . 82 ASN HB3 H 2.759 0.01 1 969 . 82 ASN HD21 H 7.470 0.01 2 970 . 82 ASN HD22 H 6.829 0.01 2 971 . 82 ASN C C 174.115 0.25 1 972 . 82 ASN CA C 52.761 0.25 1 973 . 82 ASN CB C 37.488 0.25 1 974 . 82 ASN CG C 177.200 0.25 1 975 . 82 ASN N N 115.147 0.15 1 976 . 82 ASN ND2 N 111.424 0.15 1 977 . 83 GLN H H 8.029 0.01 1 978 . 83 GLN HA H 3.355 0.01 1 979 . 83 GLN HB2 H 2.310 0.01 2 980 . 83 GLN HB3 H 2.034 0.01 2 981 . 83 GLN HG2 H 2.208 0.01 2 982 . 83 GLN HG3 H 2.055 0.01 2 983 . 83 GLN HE21 H 7.312 0.01 2 984 . 83 GLN HE22 H 6.913 0.01 2 985 . 83 GLN C C 174.400 0.25 1 986 . 83 GLN CA C 56.660 0.25 1 987 . 83 GLN CB C 25.188 0.25 1 988 . 83 GLN CG C 33.932 0.25 1 989 . 83 GLN CD C 180.697 0.25 1 990 . 83 GLN N N 112.351 0.15 1 991 . 83 GLN NE2 N 113.400 0.15 1 992 . 84 GLU H H 7.439 0.01 1 993 . 84 GLU HA H 4.273 0.01 1 994 . 84 GLU HB2 H 1.935 0.01 2 995 . 84 GLU HB3 H 1.804 0.01 2 996 . 84 GLU HG2 H 2.074 0.01 1 997 . 84 GLU HG3 H 2.074 0.01 1 998 . 84 GLU C C 175.686 0.25 1 999 . 84 GLU CA C 54.927 0.25 1 1000 . 84 GLU CB C 31.523 0.25 1 1001 . 84 GLU CG C 36.268 0.25 1 1002 . 84 GLU N N 117.986 0.15 1 1003 . 85 TRP H H 8.628 0.01 1 1004 . 85 TRP HA H 5.154 0.01 1 1005 . 85 TRP HB2 H 3.172 0.01 2 1006 . 85 TRP HB3 H 2.710 0.01 2 1007 . 85 TRP HD1 H 7.443 0.01 1 1008 . 85 TRP HE1 H 10.313 0.01 3 1009 . 85 TRP HE3 H 7.246 0.01 3 1010 . 85 TRP HZ2 H 7.338 0.01 3 1011 . 85 TRP HZ3 H 7.231 0.01 3 1012 . 85 TRP HH2 H 7.002 0.01 1 1013 . 85 TRP C C 175.891 0.25 1 1014 . 85 TRP CA C 55.763 0.25 1 1015 . 85 TRP CB C 30.050 0.25 1 1016 . 85 TRP CD1 C 128.000 0.25 3 1017 . 85 TRP CE3 C 123.156 0.25 3 1018 . 85 TRP CZ2 C 114.800 0.25 3 1019 . 85 TRP CH2 C 123.800 0.25 1 1020 . 85 TRP N N 121.657 0.15 1 1021 . 85 TRP NE1 N 129.749 0.15 1 1022 . 86 LEU H H 9.574 0.01 1 1023 . 86 LEU HA H 4.768 0.01 1 1024 . 86 LEU HB2 H 1.915 0.01 2 1025 . 86 LEU HB3 H 1.537 0.01 2 1026 . 86 LEU HG H 1.842 0.01 1 1027 . 86 LEU HD1 H 0.971 0.01 2 1028 . 86 LEU HD2 H 0.932 0.01 2 1029 . 86 LEU C C 177.031 0.25 1 1030 . 86 LEU CA C 53.247 0.25 1 1031 . 86 LEU CB C 43.923 0.25 1 1032 . 86 LEU CG C 26.810 0.25 1 1033 . 86 LEU CD1 C 26.810 0.25 1 1034 . 86 LEU CD2 C 23.474 0.25 1 1035 . 86 LEU N N 126.992 0.15 1 1036 . 87 TRP H H 8.897 0.01 1 1037 . 87 TRP HA H 4.500 0.01 1 1038 . 87 TRP HB2 H 3.215 0.01 2 1039 . 87 TRP HB3 H 2.883 0.01 2 1040 . 87 TRP HD1 H 7.334 0.01 1 1041 . 87 TRP HE1 H 10.113 0.01 3 1042 . 87 TRP HE3 H 7.243 0.01 3 1043 . 87 TRP HZ2 H 7.305 0.01 3 1044 . 87 TRP HZ3 H 6.890 0.01 3 1045 . 87 TRP HH2 H 7.187 0.01 1 1046 . 87 TRP C C 175.111 0.25 1 1047 . 87 TRP CA C 59.137 0.25 1 1048 . 87 TRP CB C 29.362 0.25 1 1049 . 87 TRP CD1 C 126.468 0.25 3 1050 . 87 TRP CE3 C 119.770 0.25 3 1051 . 87 TRP CZ2 C 114.296 0.25 3 1052 . 87 TRP CZ3 C 121.400 0.25 3 1053 . 87 TRP CH2 C 124.700 0.25 1 1054 . 87 TRP N N 123.736 0.15 1 1055 . 87 TRP NE1 N 128.205 0.15 1 1056 . 88 MET H H 9.504 0.01 1 1057 . 88 MET HA H 5.276 0.01 1 1058 . 88 MET HB2 H 1.418 0.01 2 1059 . 88 MET HB3 H 1.237 0.01 2 1060 . 88 MET HG2 H 2.278 0.01 2 1061 . 88 MET HG3 H 2.064 0.01 2 1062 . 88 MET HE H 1.404 0.01 1 1063 . 88 MET C C 174.277 0.25 1 1064 . 88 MET CA C 52.613 0.25 1 1065 . 88 MET CB C 34.034 0.25 1 1066 . 88 MET CG C 32.598 0.25 1 1067 . 88 MET CE C 16.880 0.25 1 1068 . 88 MET N N 127.011 0.15 1 1069 . 89 ARG H H 9.179 0.01 1 1070 . 89 ARG HA H 5.286 0.01 1 1071 . 89 ARG HB2 H 1.846 0.01 2 1072 . 89 ARG HB3 H 1.520 0.01 2 1073 . 89 ARG HG2 H 1.526 0.01 2 1074 . 89 ARG HG3 H 1.356 0.01 2 1075 . 89 ARG HD2 H 3.172 0.01 1 1076 . 89 ARG HD3 H 3.172 0.01 1 1077 . 89 ARG HE H 7.162 0.01 1 1078 . 89 ARG C C 175.973 0.25 1 1079 . 89 ARG CA C 54.790 0.25 1 1080 . 89 ARG CB C 32.440 0.25 1 1081 . 89 ARG CG C 27.825 0.25 1 1082 . 89 ARG CD C 43.600 0.25 1 1083 . 89 ARG N N 123.535 0.15 1 1084 . 90 THR H H 9.473 0.01 1 1085 . 90 THR HA H 5.536 0.01 1 1086 . 90 THR HB H 3.861 0.01 1 1087 . 90 THR HG2 H 1.179 0.01 1 1088 . 90 THR C C 174.947 0.25 1 1089 . 90 THR CA C 63.148 0.25 1 1090 . 90 THR CB C 71.547 0.25 1 1091 . 90 THR CG2 C 22.043 0.25 1 1092 . 90 THR N N 129.740 0.15 1 1093 . 91 SER H H 8.772 0.01 1 1094 . 91 SER HA H 5.437 0.01 1 1095 . 91 SER HB2 H 3.820 0.01 2 1096 . 91 SER HB3 H 3.711 0.01 2 1097 . 91 SER C C 174.044 0.25 1 1098 . 91 SER CA C 56.800 0.25 1 1099 . 91 SER CB C 64.447 0.25 1 1100 . 91 SER N N 123.899 0.15 1 1101 . 92 SER H H 9.334 0.01 1 1102 . 92 SER HA H 5.889 0.01 1 1103 . 92 SER HB2 H 3.427 0.01 2 1104 . 92 SER HB3 H 3.334 0.01 2 1105 . 92 SER C C 172.417 0.25 1 1106 . 92 SER CA C 56.931 0.25 1 1107 . 92 SER CB C 66.953 0.25 1 1108 . 92 SER N N 122.680 0.15 1 1109 . 93 PHE H H 8.367 0.01 1 1110 . 93 PHE HA H 4.926 0.01 1 1111 . 93 PHE HB2 H 3.118 0.01 2 1112 . 93 PHE HB3 H 2.765 0.01 2 1113 . 93 PHE HD1 H 6.949 0.01 1 1114 . 93 PHE HD2 H 6.949 0.01 1 1115 . 93 PHE HE1 H 7.109 0.01 1 1116 . 93 PHE HE2 H 7.109 0.01 1 1117 . 93 PHE HZ H 7.094 0.01 1 1118 . 93 PHE CA C 56.591 0.25 1 1119 . 93 PHE CB C 41.868 0.25 1 1120 . 93 PHE CD1 C 132.678 0.25 1 1121 . 93 PHE CD2 C 132.678 0.25 1 1122 . 93 PHE CE1 C 130.775 0.25 1 1123 . 93 PHE CE2 C 130.775 0.25 1 1124 . 93 PHE N N 116.464 0.15 1 1125 . 94 THR H H 8.558 0.01 1 1126 . 94 THR HA H 4.452 0.01 1 1127 . 94 THR HB H 4.036 0.01 1 1128 . 94 THR HG2 H 1.105 0.01 1 1129 . 94 THR C C 175.519 0.25 1 1130 . 94 THR CA C 61.218 0.25 1 1131 . 94 THR CB C 70.000 0.25 1 1132 . 94 THR CG2 C 24.340 0.25 1 1133 . 94 THR N N 112.539 0.15 1 1134 . 95 PHE H H 8.340 0.01 1 1135 . 95 PHE HA H 4.494 0.01 1 1136 . 95 PHE HB2 H 2.415 0.01 2 1137 . 95 PHE HB3 H 2.300 0.01 2 1138 . 95 PHE HD1 H 6.811 0.01 1 1139 . 95 PHE HD2 H 6.811 0.01 1 1140 . 95 PHE HE1 H 7.060 0.01 1 1141 . 95 PHE HE2 H 7.060 0.01 1 1142 . 95 PHE C C 174.143 0.25 1 1143 . 95 PHE CA C 57.421 0.25 1 1144 . 95 PHE CB C 41.725 0.25 1 1145 . 95 PHE CD1 C 131.090 0.25 1 1146 . 95 PHE CD2 C 131.090 0.25 1 1147 . 95 PHE N N 122.350 0.15 1 1148 . 96 GLN H H 7.827 0.01 1 1149 . 96 GLN HA H 4.469 0.01 1 1150 . 96 GLN HB2 H 1.691 0.01 2 1151 . 96 GLN HB3 H 1.644 0.01 2 1152 . 96 GLN HG2 H 1.898 0.01 2 1153 . 96 GLN HG3 H 2.116 0.01 2 1154 . 96 GLN HE21 H 6.438 0.01 2 1155 . 96 GLN HE22 H 7.375 0.01 2 1156 . 96 GLN C C 174.078 0.25 1 1157 . 96 GLN CA C 54.150 0.25 1 1158 . 96 GLN CB C 31.450 0.25 1 1159 . 96 GLN CG C 34.800 0.25 1 1160 . 96 GLN N N 125.750 0.15 1 1161 . 96 GLN NE2 N 110.056 0.15 1 1162 . 97 ASN H H 8.869 0.01 1 1163 . 97 ASN HA H 4.592 0.01 1 1164 . 97 ASN HB2 H 2.955 0.01 2 1165 . 97 ASN HB3 H 2.816 0.01 2 1166 . 97 ASN HD21 H 8.206 0.01 2 1167 . 97 ASN HD22 H 7.226 0.01 2 1168 . 97 ASN CA C 52.076 0.25 1 1169 . 97 ASN CB C 39.760 0.25 1 1170 . 97 ASN N N 123.751 0.15 1 1171 . 97 ASN ND2 N 115.742 0.15 1 1172 . 98 PRO HA H 4.192 0.01 1 1173 . 98 PRO HB2 H 2.084 0.01 2 1174 . 98 PRO HB3 H 1.388 0.01 2 1175 . 98 PRO HG2 H 1.890 0.01 2 1176 . 98 PRO HG3 H 1.632 0.01 2 1177 . 98 PRO HD2 H 3.808 0.01 2 1178 . 98 PRO HD3 H 3.648 0.01 2 1179 . 98 PRO C C 176.520 0.25 1 1180 . 98 PRO CA C 64.196 0.25 1 1181 . 98 PRO CB C 31.862 0.25 1 1182 . 98 PRO CG C 27.100 0.25 1 1183 . 98 PRO CD C 50.896 0.25 1 1184 . 99 TYR H H 8.170 0.01 1 1185 . 99 TYR HA H 4.611 0.01 1 1186 . 99 TYR HB2 H 3.226 0.01 2 1187 . 99 TYR HB3 H 2.984 0.01 2 1188 . 99 TYR HD1 H 7.190 0.01 1 1189 . 99 TYR HD2 H 7.190 0.01 1 1190 . 99 TYR HE1 H 6.872 0.01 1 1191 . 99 TYR HE2 H 6.872 0.01 1 1192 . 99 TYR C C 176.260 0.25 1 1193 . 99 TYR CA C 58.115 0.25 1 1194 . 99 TYR CB C 38.274 0.25 1 1195 . 99 TYR CD1 C 132.670 0.25 1 1196 . 99 TYR CD2 C 132.670 0.25 1 1197 . 99 TYR CE1 C 118.328 0.25 1 1198 . 99 TYR CE2 C 118.328 0.25 1 1199 . 99 TYR N N 116.425 0.15 1 1200 . 100 SER H H 8.018 0.01 1 1201 . 100 SER HA H 4.591 0.01 1 1202 . 100 SER HB2 H 4.004 0.01 2 1203 . 100 SER HB3 H 3.769 0.01 2 1204 . 100 SER C C 174.633 0.25 1 1205 . 100 SER CA C 57.598 0.25 1 1206 . 100 SER CB C 65.512 0.25 1 1207 . 100 SER N N 113.929 0.15 1 1208 . 101 ASP H H 8.324 0.01 1 1209 . 101 ASP HA H 4.512 0.01 1 1210 . 101 ASP HB2 H 2.849 0.01 2 1211 . 101 ASP HB3 H 2.648 0.01 2 1212 . 101 ASP C C 175.494 0.25 1 1213 . 101 ASP CA C 55.582 0.25 1 1214 . 101 ASP CB C 41.134 0.25 1 1215 . 101 ASP N N 120.369 0.15 1 1216 . 102 GLU H H 7.861 0.01 1 1217 . 102 GLU HA H 4.289 0.01 1 1218 . 102 GLU HB2 H 1.976 0.01 2 1219 . 102 GLU HB3 H 1.820 0.01 2 1220 . 102 GLU HG2 H 2.272 0.01 2 1221 . 102 GLU HG3 H 2.195 0.01 2 1222 . 102 GLU C C 176.411 0.25 1 1223 . 102 GLU CA C 56.027 0.25 1 1224 . 102 GLU CB C 31.094 0.25 1 1225 . 102 GLU CG C 36.226 0.25 1 1226 . 102 GLU N N 119.058 0.15 1 1227 . 103 ILE H H 8.688 0.01 1 1228 . 103 ILE HA H 3.903 0.01 1 1229 . 103 ILE HB H 1.815 0.01 1 1230 . 103 ILE HG12 H 1.640 0.01 1 1231 . 103 ILE HG13 H 1.150 0.01 1 1232 . 103 ILE HG2 H 0.767 0.01 1 1233 . 103 ILE HD1 H 0.952 0.01 1 1234 . 103 ILE C C 176.187 0.25 1 1235 . 103 ILE CA C 62.200 0.25 1 1236 . 103 ILE CB C 38.392 0.25 1 1237 . 103 ILE CG1 C 28.220 0.25 2 1238 . 103 ILE CG2 C 17.639 0.25 1 1239 . 103 ILE CD1 C 14.292 0.25 1 1240 . 103 ILE N N 122.834 0.15 1 1241 . 104 GLU H H 8.900 0.01 1 1242 . 104 GLU HA H 4.427 0.01 1 1243 . 104 GLU HB2 H 1.995 0.01 2 1244 . 104 GLU HB3 H 1.670 0.01 2 1245 . 104 GLU HG2 H 2.264 0.01 2 1246 . 104 GLU HG3 H 2.198 0.01 2 1247 . 104 GLU C C 176.487 0.25 1 1248 . 104 GLU CA C 57.998 0.25 1 1249 . 104 GLU CB C 31.935 0.25 1 1250 . 104 GLU CG C 36.546 0.25 1 1251 . 104 GLU N N 127.851 0.15 1 1252 . 105 TYR H H 7.419 0.01 1 1253 . 105 TYR HA H 4.755 0.01 1 1254 . 105 TYR HB2 H 3.471 0.01 2 1255 . 105 TYR HB3 H 3.032 0.01 2 1256 . 105 TYR HD1 H 6.807 0.01 1 1257 . 105 TYR HD2 H 6.807 0.01 1 1258 . 105 TYR HE1 H 6.448 0.01 1 1259 . 105 TYR HE2 H 6.448 0.01 1 1260 . 105 TYR C C 172.957 0.25 1 1261 . 105 TYR CA C 55.838 0.25 1 1262 . 105 TYR CB C 39.313 0.25 1 1263 . 105 TYR CD1 C 132.805 0.25 1 1264 . 105 TYR CD2 C 132.805 0.25 1 1265 . 105 TYR CE1 C 118.124 0.25 1 1266 . 105 TYR CE2 C 118.124 0.25 1 1267 . 105 TYR N N 111.848 0.15 1 1268 . 106 ILE H H 9.167 0.01 1 1269 . 106 ILE HA H 4.414 0.01 1 1270 . 106 ILE HB H 1.470 0.01 1 1271 . 106 ILE HG12 H 1.338 0.01 1 1272 . 106 ILE HG13 H 0.725 0.01 1 1273 . 106 ILE HG2 H 0.572 0.01 1 1274 . 106 ILE HD1 H 0.681 0.01 1 1275 . 106 ILE C C 175.115 0.25 1 1276 . 106 ILE CA C 60.789 0.25 1 1277 . 106 ILE CB C 41.627 0.25 1 1278 . 106 ILE CG1 C 28.887 0.25 2 1279 . 106 ILE CG2 C 18.300 0.25 1 1280 . 106 ILE CD1 C 15.300 0.25 1 1281 . 106 ILE N N 120.234 0.15 1 1282 . 107 ILE H H 8.949 0.01 1 1283 . 107 ILE HA H 4.770 0.01 1 1284 . 107 ILE HB H 1.012 0.01 1 1285 . 107 ILE HG12 H 1.019 0.01 1 1286 . 107 ILE HG13 H 1.602 0.01 1 1287 . 107 ILE HG2 H 0.835 0.01 1 1288 . 107 ILE HD1 H 0.886 0.01 1 1289 . 107 ILE C C 174.575 0.25 1 1290 . 107 ILE CA C 60.532 0.25 1 1291 . 107 ILE CB C 38.761 0.25 1 1292 . 107 ILE CG1 C 28.985 0.25 2 1293 . 107 ILE CG2 C 17.954 0.25 1 1294 . 107 ILE CD1 C 14.577 0.25 1 1295 . 107 ILE N N 127.995 0.15 1 1296 . 108 CYS H H 9.365 0.01 1 1297 . 108 CYS HA H 5.340 0.01 1 1298 . 108 CYS HB2 H 3.224 0.01 2 1299 . 108 CYS HB3 H 2.950 0.01 2 1300 . 108 CYS C C 173.302 0.25 1 1301 . 108 CYS CA C 57.489 0.25 1 1302 . 108 CYS CB C 31.000 0.25 1 1303 . 108 CYS N N 124.469 0.15 1 1304 . 109 THR H H 8.868 0.01 1 1305 . 109 THR HA H 4.407 0.01 1 1306 . 109 THR HB H 4.042 0.01 1 1307 . 109 THR HG2 H 1.025 0.01 1 1308 . 109 THR C C 173.496 0.25 1 1309 . 109 THR CA C 62.400 0.25 1 1310 . 109 THR CB C 69.096 0.25 1 1311 . 109 THR CG2 C 21.260 0.25 1 1312 . 109 THR N N 117.388 0.15 1 1313 . 110 ASN H H 8.542 0.01 1 1314 . 110 ASN HA H 5.112 0.01 1 1315 . 110 ASN HB2 H 1.980 0.01 2 1316 . 110 ASN HB3 H 1.532 0.01 2 1317 . 110 ASN C C 173.292 0.25 1 1318 . 110 ASN CA C 52.915 0.25 1 1319 . 110 ASN CB C 40.875 0.25 1 1320 . 110 ASN N N 126.521 0.15 1 1321 . 111 THR H H 8.983 0.01 1 1322 . 111 THR HA H 4.816 0.01 1 1323 . 111 THR HB H 3.998 0.01 1 1324 . 111 THR HG2 H 1.226 0.01 1 1325 . 111 THR C C 173.689 0.25 1 1326 . 111 THR CA C 61.705 0.25 1 1327 . 111 THR CB C 70.916 0.25 1 1328 . 111 THR CG2 C 21.761 0.25 1 1329 . 111 THR N N 121.027 0.15 1 1330 . 112 ASN H H 8.774 0.01 1 1331 . 112 ASN HA H 5.203 0.01 1 1332 . 112 ASN HB2 H 2.924 0.01 2 1333 . 112 ASN HB3 H 2.517 0.01 2 1334 . 112 ASN HD21 H 7.679 0.01 2 1335 . 112 ASN HD22 H 6.818 0.01 2 1336 . 112 ASN C C 174.674 0.25 1 1337 . 112 ASN CA C 53.573 0.25 1 1338 . 112 ASN CB C 39.358 0.25 1 1339 . 112 ASN CG C 174.965 0.25 1 1340 . 112 ASN N N 125.777 0.15 1 1341 . 112 ASN ND2 N 110.500 0.15 1 1342 . 113 VAL H H 8.260 0.01 1 1343 . 113 VAL HA H 4.222 0.01 1 1344 . 113 VAL HB H 2.107 0.01 1 1345 . 113 VAL HG1 H 0.880 0.01 2 1346 . 113 VAL HG2 H 0.863 0.01 2 1347 . 113 VAL C C 175.535 0.25 1 1348 . 113 VAL CA C 62.032 0.25 1 1349 . 113 VAL CB C 33.128 0.25 1 1350 . 113 VAL CG1 C 21.806 0.25 1 1351 . 113 VAL CG2 C 20.642 0.25 1 1352 . 113 VAL N N 124.183 0.15 1 1353 . 114 LYS H H 8.358 0.01 1 1354 . 114 LYS HA H 4.405 0.01 1 1355 . 114 LYS HB2 H 1.864 0.01 2 1356 . 114 LYS HB3 H 1.827 0.01 2 1357 . 114 LYS HG2 H 1.454 0.01 2 1358 . 114 LYS HG3 H 1.430 0.01 2 1359 . 114 LYS HD2 H 1.672 0.01 1 1360 . 114 LYS HD3 H 1.672 0.01 1 1361 . 114 LYS HE2 H 2.974 0.01 1 1362 . 114 LYS HE3 H 2.974 0.01 1 1363 . 114 LYS C C 176.164 0.25 1 1364 . 114 LYS CA C 56.571 0.25 1 1365 . 114 LYS CB C 33.299 0.25 1 1366 . 114 LYS CG C 24.895 0.25 1 1367 . 114 LYS CD C 29.234 0.25 1 1368 . 114 LYS CE C 42.248 0.25 1 1369 . 114 LYS N N 122.796 0.15 1 1370 . 115 ASN H H 8.464 0.01 1 1371 . 115 ASN HA H 4.679 0.01 1 1372 . 115 ASN HB2 H 2.716 0.01 2 1373 . 115 ASN HB3 H 2.560 0.01 2 1374 . 115 ASN HD21 H 7.115 0.01 2 1375 . 115 ASN HD22 H 6.836 0.01 2 1376 . 115 ASN C C 175.125 0.25 1 1377 . 115 ASN CA C 53.040 0.25 1 1378 . 115 ASN CB C 38.991 0.25 1 1379 . 115 ASN CG C 176.712 0.25 1 1380 . 115 ASN N N 119.896 0.15 1 1381 . 115 ASN ND2 N 112.000 0.15 1 1382 . 116 SER H H 8.240 0.01 1 1383 . 116 SER HA H 4.378 0.01 1 1384 . 116 SER HB2 H 3.810 0.01 2 1385 . 116 SER HB3 H 3.672 0.01 2 1386 . 116 SER C C 174.578 0.25 1 1387 . 116 SER CA C 58.607 0.25 1 1388 . 116 SER CB C 63.763 0.25 1 1389 . 116 SER N N 116.376 0.15 1 1390 . 117 SER H H 8.306 0.01 1 1391 . 117 SER HA H 4.463 0.01 1 1392 . 117 SER HB2 H 3.878 0.01 1 1393 . 117 SER HB3 H 3.878 0.01 1 1394 . 117 SER C C 174.291 0.25 1 1395 . 117 SER CA C 58.651 0.25 1 1396 . 117 SER CB C 63.813 0.25 1 1397 . 117 SER N N 117.538 0.15 1 1398 . 118 GLN H H 8.267 0.01 1 1399 . 118 GLN HA H 4.362 0.01 1 1400 . 118 GLN HB2 H 2.142 0.01 2 1401 . 118 GLN HB3 H 1.951 0.01 2 1402 . 118 GLN HG2 H 2.322 0.01 1 1403 . 118 GLN HG3 H 2.322 0.01 1 1404 . 118 GLN HE21 H 7.576 0.01 2 1405 . 118 GLN HE22 H 6.819 0.01 2 1406 . 118 GLN C C 174.920 0.25 1 1407 . 118 GLN CA C 55.825 0.25 1 1408 . 118 GLN CB C 29.737 0.25 1 1409 . 118 GLN CG C 33.964 0.25 1 1410 . 118 GLN CD C 180.710 0.25 1 1411 . 118 GLN N N 122.245 0.15 1 1412 . 118 GLN NE2 N 112.356 0.15 1 1413 . 119 GLU H H 8.002 0.01 1 1414 . 119 GLU HA H 4.102 0.01 1 1415 . 119 GLU HB2 H 2.040 0.01 2 1416 . 119 GLU HB3 H 1.870 0.01 2 1417 . 119 GLU HG2 H 2.200 0.01 1 1418 . 119 GLU HG3 H 2.200 0.01 1 1419 . 119 GLU CA C 58.162 0.25 1 1420 . 119 GLU CB C 31.170 0.25 1 1421 . 119 GLU CG C 36.780 0.25 1 1422 . 119 GLU N N 127.461 0.15 1 stop_ save_