data_4959 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the epsin N-terminal homology (ENTH) domain of human epsin ; _BMRB_accession_number 4959 _BMRB_flat_file_name bmr4959.str _Entry_type original _Submission_date 2001-02-21 _Accession_date 2001-02-21 _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 Koshiba Seizo . . 2 Kigawa Takanori . . 3 Kikuchi Akira . . 4 Yokoyama Shigeyuki . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 768 "13C chemical shifts" 606 "15N chemical shifts" 142 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-05-22 update author 'updated chemical shift values' 2001-05-15 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the epsin N-terminal homology (ENTH) domain of human epsin' _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 Koshiba Seizo . . 2 Kigawa Takanori . . 3 Kikuchi Akira . . 4 Yokoyama Shigeyuki . . stop_ _Journal_abbreviation 'J. Struct. Func. Genomics' _Journal_name_full 'Journal of Structural and Functional Genomics' _Journal_volume 2 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1 _Page_last 8 _Year 2001 _Details . save_ ################################## # Molecular system description # ################################## save_system_ENTH_domain _Saveframe_category molecular_system _Mol_system_name 'epsin ENTH domain' _Abbreviation_common 'ENTH domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'epsin ENTH domain' $epsin_ENTH_domain 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_epsin_ENTH_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'epsin ENTH domain' _Abbreviation_common 'epsin ENTH domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 148 _Mol_residue_sequence ; GSSRMSTSSLRRQMKNIVHN YSEAEIKVREATSNDPWGPS SSLMSEIADLTYNVVAFSEI MSMIWKRLNDHGKNWRHVYK AMTLMEYLIKTGSERVSQQC KENMYAVQTLKDFQYVDRDG KDQGVNVREKAKQLVALLRD EDRLREER ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 ARG 5 MET 6 SER 7 THR 8 SER 9 SER 10 LEU 11 ARG 12 ARG 13 GLN 14 MET 15 LYS 16 ASN 17 ILE 18 VAL 19 HIS 20 ASN 21 TYR 22 SER 23 GLU 24 ALA 25 GLU 26 ILE 27 LYS 28 VAL 29 ARG 30 GLU 31 ALA 32 THR 33 SER 34 ASN 35 ASP 36 PRO 37 TRP 38 GLY 39 PRO 40 SER 41 SER 42 SER 43 LEU 44 MET 45 SER 46 GLU 47 ILE 48 ALA 49 ASP 50 LEU 51 THR 52 TYR 53 ASN 54 VAL 55 VAL 56 ALA 57 PHE 58 SER 59 GLU 60 ILE 61 MET 62 SER 63 MET 64 ILE 65 TRP 66 LYS 67 ARG 68 LEU 69 ASN 70 ASP 71 HIS 72 GLY 73 LYS 74 ASN 75 TRP 76 ARG 77 HIS 78 VAL 79 TYR 80 LYS 81 ALA 82 MET 83 THR 84 LEU 85 MET 86 GLU 87 TYR 88 LEU 89 ILE 90 LYS 91 THR 92 GLY 93 SER 94 GLU 95 ARG 96 VAL 97 SER 98 GLN 99 GLN 100 CYS 101 LYS 102 GLU 103 ASN 104 MET 105 TYR 106 ALA 107 VAL 108 GLN 109 THR 110 LEU 111 LYS 112 ASP 113 PHE 114 GLN 115 TYR 116 VAL 117 ASP 118 ARG 119 ASP 120 GLY 121 LYS 122 ASP 123 GLN 124 GLY 125 VAL 126 ASN 127 VAL 128 ARG 129 GLU 130 LYS 131 ALA 132 LYS 133 GLN 134 LEU 135 VAL 136 ALA 137 LEU 138 LEU 139 ARG 140 ASP 141 GLU 142 ASP 143 ARG 144 LEU 145 ARG 146 GLU 147 GLU 148 ARG 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 1EYH "Crystal Structure Of The Epsin N-Terminal Homology (Enth) Domain At 1.56 Angstrom Resolution" 87.84 144 100.00 100.00 6.66e-92 PDB 1H0A "Epsin Enth Bound To Ins(1,4,5)p3" 97.30 158 100.00 100.00 2.78e-102 PDB 1INZ "Solution Structure Of The Epsin N-Terminal Homology (Enth) Domain Of Human Epsin" 100.00 148 100.00 100.00 9.81e-105 DBJ BAB14041 "unnamed protein product [Homo sapiens]" 97.30 576 100.00 100.00 2.90e-99 DBJ BAG62253 "unnamed protein product [Homo sapiens]" 70.95 536 100.00 100.00 4.48e-68 DBJ BAI45694 "epsin 1 [synthetic construct]" 97.30 551 100.00 100.00 1.51e-99 GB AAC33823 "EH domain binding protein Epsin [Rattus norvegicus]" 97.30 575 100.00 100.00 2.82e-99 GB AAD38326 "EH domain-binding mitotic phosphoprotein [Homo sapiens]" 97.30 551 100.00 100.00 1.51e-99 GB AAH44651 "Epsin 1 [Homo sapiens]" 97.30 550 100.00 100.00 1.47e-99 GB AAH46962 "Epsin 1 [Mus musculus]" 97.30 575 100.00 100.00 2.82e-99 GB AAH67206 "Epn1 protein [Mus musculus]" 97.30 575 100.00 100.00 2.82e-99 REF NP_001033759 "epsin-1 [Bos taurus]" 97.30 576 97.22 99.31 2.74e-96 REF NP_001123543 "epsin-1 isoform a [Homo sapiens]" 97.30 662 100.00 100.00 2.39e-98 REF NP_001123544 "epsin-1 isoform b [Homo sapiens]" 97.30 576 100.00 100.00 2.90e-99 REF NP_001239383 "epsin-1 [Mus musculus]" 97.30 575 100.00 100.00 2.82e-99 REF NP_034277 "epsin-1 [Mus musculus]" 97.30 575 100.00 100.00 2.82e-99 SP O88339 "RecName: Full=Epsin-1; AltName: Full=EPS-15-interacting protein 1 [Rattus norvegicus]" 97.30 575 100.00 100.00 2.82e-99 SP Q80VP1 "RecName: Full=Epsin-1; AltName: Full=EPS-15-interacting protein 1; AltName: Full=Intersectin-EH-binding protein 1; Short=Ibp1 [" 97.30 575 100.00 100.00 2.82e-99 SP Q9Y6I3 "RecName: Full=Epsin-1; AltName: Full=EH domain-binding mitotic phosphoprotein; AltName: Full=EPS-15-interacting protein 1 [Homo" 97.30 576 100.00 100.00 2.90e-99 TPG DAA19370 "TPA: epsin 1 [Bos taurus]" 97.30 576 98.61 100.00 4.11e-98 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $epsin_ENTH_domain human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $epsin_ENTH_domain 'recombinant technology' 'E. coli' Escherichia coli BL21 plasmid pGEX2T stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $epsin_ENTH_domain 1.0 mM '[U-13C; U-15N]' 'sodium phosphate' 20 mM . 'sodium chloride' 400 mM . dithiothreitol 2 mM [U-2H] 'sodium azide' 0.01 % . H2O 90 % . D2O 10 % . stop_ save_ save_sample2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $epsin_ENTH_domain 1.0 mM [U-15N] 'sodium phosphate' 20 mM . 'sodium chloride' 400 mM . dithiothreitol 2 mM [U-2H] 'sodium azide' 0.01 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Task 'data processing' stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Task 'peak assignments' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N HSQC' _Sample_label . save_ save_3D_15N_NOESY-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N NOESY-HSQC' _Sample_label . save_ save_3D_15N_TOCSY-HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N TOCSY-HSQC' _Sample_label . save_ save_3D_HNHB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _Sample_label . save_ save_2D_13C_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C HSQC' _Sample_label . save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label . save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label . save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label . save_ save_3D_HCACO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label . save_ save_3D_CBCANH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCANH' _Sample_label . save_ save_3D_CBCA(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label . save_ save_3D_HBHA(CO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label . save_ save_3D_C(CO)NH_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label . save_ save_3D_H(CCO)NH_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label . save_ save_3D_HCCH-TOCSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label . save_ save_3D_HCCH-COSY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label . save_ save_3D_13C_NOESY-HSQC_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C NOESY-HSQC' _Sample_label . save_ save_4D_13C/15N_NOESY_18 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 13C/15N NOESY' _Sample_label . save_ save_4D_13C/13C_NOESY_19 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 13C/13C NOESY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N TOCSY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCANH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_18 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 13C/15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_19 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 13C/13C NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_cond1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.3 n/a temperature 303 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.713ppm at 303K), and then those of 15N and 13C were calculated based on their gyromagnetic ratios. In the case of 15N, correction value (+1.731ppm) was added to the calculated chemical shift values. ; 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 H2O H 1 proton ppm 4.713 internal direct . . . . DSS N 15 proton ppm 0.00 . indirect . . . 0.101329118 DSS C 13 proton ppm 0.00 . indirect . . . 0.251449530 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 $sample1 stop_ _Sample_conditions_label $cond1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'epsin ENTH domain' _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 . 3 SER N N 119.792 0.2 1 2 . 3 SER H H 8.494 0.03 1 3 . 3 SER CA C 56.130 0.3 1 4 . 3 SER HA H 4.506 0.03 1 5 . 3 SER CB C 61.609 0.3 1 6 . 3 SER HB2 H 3.901 0.03 1 7 . 3 SER HB3 H 3.901 0.03 1 8 . 3 SER C C 172.319 0.3 1 9 . 4 ARG N N 124.393 0.2 1 10 . 4 ARG H H 8.394 0.03 1 11 . 4 ARG CA C 54.086 0.3 1 12 . 4 ARG HA H 4.371 0.03 1 13 . 4 ARG CB C 28.474 0.3 1 14 . 4 ARG HB2 H 1.806 0.03 2 15 . 4 ARG HB3 H 1.869 0.03 2 16 . 4 ARG HG2 H 1.649 0.03 2 17 . 4 ARG HD2 H 3.206 0.03 2 18 . 4 ARG C C 174.071 0.3 1 19 . 5 MET N N 122.709 0.2 1 20 . 5 MET H H 8.327 0.03 1 21 . 5 MET CA C 53.347 0.3 1 22 . 5 MET HA H 4.518 0.03 1 23 . 5 MET CB C 30.475 0.3 1 24 . 5 MET HB2 H 2.104 0.03 2 25 . 5 MET HB3 H 2.034 0.03 2 26 . 5 MET CG C 29.997 0.3 1 27 . 5 MET HG2 H 2.553 0.03 2 28 . 5 MET HG3 H 2.628 0.03 2 29 . 5 MET C C 174.053 0.3 1 30 . 6 SER N N 118.654 0.2 1 31 . 6 SER H H 8.344 0.03 1 32 . 6 SER CA C 56.043 0.3 1 33 . 6 SER HA H 4.537 0.03 1 34 . 6 SER CB C 61.609 0.3 1 35 . 6 SER HB2 H 3.934 0.03 1 36 . 6 SER HB3 H 3.934 0.03 1 37 . 6 SER C C 172.793 0.3 1 38 . 7 THR N N 117.213 0.2 1 39 . 7 THR H H 8.239 0.03 1 40 . 7 THR CA C 60.087 0.3 1 41 . 7 THR HA H 4.364 0.03 1 42 . 7 THR CB C 67.349 0.3 1 43 . 7 THR HB H 4.316 0.03 1 44 . 7 THR CG2 C 19.441 0.3 1 45 . 7 THR HG2 H 1.239 0.03 1 46 . 7 THR C C 172.811 0.3 1 47 . 8 SER N N 119.047 0.2 1 48 . 8 SER H H 8.293 0.03 1 49 . 8 SER CA C 56.738 0.3 1 50 . 8 SER HA H 4.447 0.03 1 51 . 8 SER CB C 61.435 0.3 1 52 . 8 SER HB2 H 3.921 0.03 1 53 . 8 SER HB3 H 3.921 0.03 1 54 . 8 SER C C 172.847 0.3 1 55 . 9 SER N N 119.449 0.2 1 56 . 9 SER H H 8.268 0.03 1 57 . 9 SER CA C 56.869 0.3 1 58 . 9 SER HA H 4.420 0.03 1 59 . 9 SER CB C 61.348 0.3 1 60 . 9 SER HB2 H 3.913 0.03 1 61 . 9 SER HB3 H 3.913 0.03 1 62 . 9 SER C C 172.595 0.3 1 63 . 10 LEU N N 125.015 0.2 1 64 . 10 LEU H H 8.078 0.03 1 65 . 10 LEU CA C 53.608 0.3 1 66 . 10 LEU HA H 4.300 0.03 1 67 . 10 LEU CB C 39.867 0.3 1 68 . 10 LEU HB2 H 1.629 0.03 2 69 . 10 LEU HB3 H 1.714 0.03 2 70 . 10 LEU CG C 24.850 0.3 1 71 . 10 LEU HG H 1.644 0.03 1 72 . 10 LEU CD1 C 22.772 0.3 2 73 . 10 LEU HD1 H 0.919 0.03 2 74 . 10 LEU CD2 C 21.510 0.3 2 75 . 10 LEU HD2 H 0.872 0.03 2 76 . 10 LEU C C 175.402 0.3 1 77 . 11 ARG N N 122.235 0.2 1 78 . 11 ARG H H 8.123 0.03 1 79 . 11 ARG CA C 54.303 0.3 1 80 . 11 ARG HA H 4.269 0.03 1 81 . 11 ARG CB C 28.387 0.3 1 82 . 11 ARG HB2 H 1.859 0.03 2 83 . 11 ARG HB3 H 1.794 0.03 2 84 . 11 ARG CG C 24.947 0.3 1 85 . 11 ARG HG2 H 1.641 0.03 1 86 . 11 ARG HG3 H 1.641 0.03 1 87 . 11 ARG CD C 41.126 0.3 1 88 . 11 ARG HD2 H 3.219 0.03 1 89 . 11 ARG HD3 H 3.219 0.03 1 90 . 11 ARG C C 172.085 0.3 1 91 . 12 ARG N N 122.784 0.2 1 92 . 12 ARG H H 8.134 0.03 1 93 . 12 ARG CA C 54.434 0.3 1 94 . 12 ARG HA H 4.287 0.03 1 95 . 12 ARG CB C 28.474 0.3 1 96 . 12 ARG HB2 H 1.826 0.03 2 97 . 12 ARG HB3 H 1.870 0.03 2 98 . 12 ARG CG C 24.907 0.3 1 99 . 12 ARG HG2 H 1.647 0.03 1 100 . 12 ARG HG3 H 1.647 0.03 1 101 . 12 ARG CD C 41.148 0.3 1 102 . 12 ARG HD2 H 3.213 0.03 1 103 . 12 ARG HD3 H 3.213 0.03 1 104 . 12 ARG C C 174.053 0.3 1 105 . 13 GLN N N 122.232 0.2 1 106 . 13 GLN H H 8.280 0.03 1 107 . 13 GLN CA C 53.999 0.3 1 108 . 13 GLN HA H 4.334 0.03 1 109 . 13 GLN CB C 27.257 0.3 1 110 . 13 GLN HB2 H 2.090 0.03 2 111 . 13 GLN HB3 H 2.004 0.03 2 112 . 13 GLN CG C 31.667 0.3 1 113 . 13 GLN HG2 H 2.378 0.03 1 114 . 13 GLN HG3 H 2.378 0.03 1 115 . 13 GLN C C 173.927 0.3 1 116 . 14 MET N N 122.868 0.2 1 117 . 14 MET H H 8.280 0.03 1 118 . 14 MET CA C 53.521 0.3 1 119 . 14 MET HA H 4.461 0.03 1 120 . 14 MET CB C 30.388 0.3 1 121 . 14 MET HB2 H 2.100 0.03 2 122 . 14 MET HB3 H 2.029 0.03 2 123 . 14 MET CG C 29.970 0.3 1 124 . 14 MET HG2 H 2.553 0.03 2 125 . 14 MET HG3 H 2.624 0.03 2 126 . 14 MET C C 173.945 0.3 1 127 . 15 LYS N N 123.036 0.2 1 128 . 15 LYS H H 8.205 0.03 1 129 . 15 LYS CA C 54.303 0.3 1 130 . 15 LYS HA H 4.297 0.03 1 131 . 15 LYS CB C 30.736 0.3 1 132 . 15 LYS HB2 H 1.819 0.03 2 133 . 15 LYS HB3 H 1.752 0.03 2 134 . 15 LYS CG C 22.542 0.3 1 135 . 15 LYS HG2 H 1.395 0.03 2 136 . 15 LYS HG3 H 1.437 0.03 2 137 . 15 LYS CD C 26.946 0.3 1 138 . 15 LYS HD2 H 1.688 0.03 1 139 . 15 LYS HD3 H 1.688 0.03 1 140 . 15 LYS CE C 39.908 0.3 1 141 . 15 LYS HE2 H 3.001 0.03 1 142 . 15 LYS HE3 H 3.001 0.03 1 143 . 15 LYS C C 174.035 0.3 1 144 . 16 ASN N N 120.842 0.2 1 145 . 16 ASN H H 8.355 0.03 1 146 . 16 ASN CA C 51.129 0.3 1 147 . 16 ASN HA H 4.694 0.03 1 148 . 16 ASN CB C 36.649 0.3 1 149 . 16 ASN HB2 H 2.736 0.03 2 150 . 16 ASN HB3 H 2.801 0.03 2 151 . 16 ASN C C 172.505 0.3 1 152 . 17 ILE N N 122.527 0.2 1 153 . 17 ILE H H 7.959 0.03 1 154 . 17 ILE CA C 58.869 0.3 1 155 . 17 ILE HA H 4.140 0.03 1 156 . 17 ILE CB C 36.736 0.3 1 157 . 17 ILE HB H 1.822 0.03 1 158 . 17 ILE CG1 C 24.976 0.3 1 159 . 17 ILE HG12 H 1.148 0.03 2 160 . 17 ILE HG13 H 1.411 0.03 2 161 . 17 ILE CG2 C 15.231 0.3 1 162 . 17 ILE HG2 H 0.772 0.03 1 163 . 17 ILE CD1 C 10.662 0.3 1 164 . 17 ILE HD1 H 0.819 0.03 1 165 . 17 ILE C C 173.675 0.3 1 166 . 18 VAL N N 125.633 0.2 1 167 . 18 VAL H H 8.076 0.03 1 168 . 18 VAL CA C 60.000 0.3 1 169 . 18 VAL HA H 4.010 0.03 1 170 . 18 VAL CB C 30.562 0.3 1 171 . 18 VAL HB H 1.970 0.03 1 172 . 18 VAL CG1 C 18.820 0.3 2 173 . 18 VAL HG1 H 0.796 0.03 2 174 . 18 VAL CG2 C 18.458 0.3 2 175 . 18 VAL HG2 H 0.861 0.03 2 176 . 18 VAL C C 173.279 0.3 1 177 . 19 HIS N N 124.114 0.2 1 178 . 19 HIS H H 8.284 0.03 1 179 . 19 HIS CA C 52.955 0.3 1 180 . 19 HIS HA H 4.500 0.03 1 181 . 19 HIS CB C 27.518 0.3 1 182 . 19 HIS HB2 H 2.836 0.03 1 183 . 19 HIS HB3 H 2.836 0.03 1 184 . 19 HIS CD2 C 117.692 0.3 1 185 . 19 HIS HD2 H 6.805 0.03 1 186 . 19 HIS C C 174.575 0.3 1 187 . 21 TYR N N 122.519 0.2 1 188 . 21 TYR H H 7.960 0.03 1 189 . 21 TYR CA C 55.086 0.3 1 190 . 21 TYR HA H 4.782 0.03 1 191 . 21 TYR CB C 37.693 0.3 1 192 . 21 TYR HB2 H 3.142 0.03 2 193 . 21 TYR HB3 H 2.636 0.03 2 194 . 21 TYR CD1 C 130.466 0.3 1 195 . 21 TYR HD1 H 7.080 0.03 1 196 . 21 TYR CD2 C 130.466 0.3 1 197 . 21 TYR HD2 H 7.080 0.03 1 198 . 21 TYR CE1 C 115.714 0.3 1 199 . 21 TYR HE1 H 6.688 0.03 1 200 . 21 TYR CE2 C 115.714 0.3 1 201 . 21 TYR HE2 H 6.688 0.03 1 202 . 21 TYR C C 174.053 0.3 1 203 . 22 SER N N 121.470 0.2 1 204 . 22 SER H H 9.593 0.03 1 205 . 22 SER CA C 54.782 0.3 1 206 . 22 SER HA H 4.552 0.03 1 207 . 22 SER CB C 63.174 0.3 1 208 . 22 SER HB2 H 4.417 0.03 2 209 . 22 SER HB3 H 4.039 0.03 2 210 . 22 SER C C 172.272 0.3 1 211 . 23 GLU N N 122.281 0.2 1 212 . 23 GLU H H 8.819 0.03 1 213 . 23 GLU CA C 57.739 0.3 1 214 . 23 GLU HA H 4.021 0.03 1 215 . 23 GLU CB C 27.257 0.3 1 216 . 23 GLU HB2 H 2.016 0.03 2 217 . 23 GLU HB3 H 2.090 0.03 2 218 . 23 GLU CG C 34.384 0.3 1 219 . 23 GLU HG2 H 2.350 0.03 2 220 . 23 GLU C C 176.338 0.3 1 221 . 24 ALA N N 121.433 0.2 1 222 . 24 ALA H H 8.574 0.03 1 223 . 24 ALA CA C 53.347 0.3 1 224 . 24 ALA HA H 3.761 0.03 1 225 . 24 ALA CB C 16.125 0.3 1 226 . 24 ALA HB H 1.460 0.03 1 227 . 24 ALA C C 176.698 0.3 1 228 . 25 GLU N N 117.551 0.2 1 229 . 25 GLU H H 7.679 0.03 1 230 . 25 GLU CA C 57.913 0.3 1 231 . 25 GLU HA H 3.482 0.03 1 232 . 25 GLU CB C 28.214 0.3 1 233 . 25 GLU HB2 H 1.684 0.03 2 234 . 25 GLU HB3 H 1.704 0.03 2 235 . 25 GLU HG2 H 2.494 0.03 2 236 . 25 GLU C C 176.644 0.3 1 237 . 26 ILE N N 121.601 0.2 1 238 . 26 ILE H H 8.533 0.03 1 239 . 26 ILE CA C 62.783 0.3 1 240 . 26 ILE HA H 3.383 0.03 1 241 . 26 ILE CB C 35.345 0.3 1 242 . 26 ILE HB H 1.961 0.03 1 243 . 26 ILE CG1 C 26.978 0.3 1 244 . 26 ILE HG12 H 1.105 0.03 2 245 . 26 ILE HG13 H 1.652 0.03 2 246 . 26 ILE CG2 C 14.843 0.3 1 247 . 26 ILE HG2 H 0.880 0.03 1 248 . 26 ILE CD1 C 10.680 0.3 1 249 . 26 ILE HD1 H 0.806 0.03 1 250 . 26 ILE C C 176.572 0.3 1 251 . 27 LYS N N 120.647 0.2 1 252 . 27 LYS H H 7.907 0.03 1 253 . 27 LYS CA C 57.913 0.3 1 254 . 27 LYS HA H 4.071 0.03 1 255 . 27 LYS CB C 30.562 0.3 1 256 . 27 LYS HB2 H 1.868 0.03 2 257 . 27 LYS C C 176.428 0.3 1 258 . 28 VAL N N 119.067 0.2 1 259 . 28 VAL H H 7.888 0.03 1 260 . 28 VAL CA C 64.566 0.3 1 261 . 28 VAL HA H 3.338 0.03 1 262 . 28 VAL CB C 28.822 0.3 1 263 . 28 VAL HB H 1.916 0.03 1 264 . 28 VAL CG1 C 22.945 0.3 2 265 . 28 VAL HG1 H 1.021 0.03 2 266 . 28 VAL CG2 C 19.581 0.3 2 267 . 28 VAL HG2 H 0.646 0.03 2 268 . 28 VAL C C 176.806 0.3 1 269 . 29 ARG N N 124.105 0.2 1 270 . 29 ARG H H 8.435 0.03 1 271 . 29 ARG CA C 58.347 0.3 1 272 . 29 ARG HA H 3.336 0.03 1 273 . 29 ARG CB C 26.996 0.3 1 274 . 29 ARG HB2 H 1.656 0.03 2 275 . 29 ARG HB3 H 1.790 0.03 2 276 . 29 ARG HG2 H 1.097 0.03 2 277 . 29 ARG C C 176.068 0.3 1 278 . 30 GLU N N 121.136 0.2 1 279 . 30 GLU H H 8.167 0.03 1 280 . 30 GLU CA C 56.956 0.3 1 281 . 30 GLU HA H 4.010 0.03 1 282 . 30 GLU CB C 26.996 0.3 1 283 . 30 GLU HB2 H 2.044 0.03 2 284 . 30 GLU HB3 H 2.159 0.03 2 285 . 30 GLU HG2 H 2.379 0.03 2 286 . 30 GLU C C 177.184 0.3 1 287 . 31 ALA N N 121.073 0.2 1 288 . 31 ALA H H 8.264 0.03 1 289 . 31 ALA CA C 51.520 0.3 1 290 . 31 ALA HA H 4.064 0.03 1 291 . 31 ALA CB C 17.082 0.3 1 292 . 31 ALA HB H 1.323 0.03 1 293 . 31 ALA C C 173.549 0.3 1 294 . 32 THR N N 103.346 0.2 1 295 . 32 THR H H 7.113 0.03 1 296 . 32 THR CA C 56.869 0.3 1 297 . 32 THR HA H 4.461 0.03 1 298 . 32 THR CB C 66.566 0.3 1 299 . 32 THR HB H 4.516 0.03 1 300 . 32 THR CG2 C 18.601 0.3 1 301 . 32 THR HG2 H 0.788 0.03 1 302 . 32 THR C C 170.295 0.3 1 303 . 33 SER N N 116.271 0.2 1 304 . 33 SER H H 6.672 0.03 1 305 . 33 SER CA C 56.086 0.3 1 306 . 33 SER HA H 4.280 0.03 1 307 . 36 PRO CA C 61.522 0.3 1 308 . 36 PRO HA H 4.069 0.03 1 309 . 36 PRO CB C 28.300 0.3 1 310 . 36 PRO HB2 H 1.807 0.03 2 311 . 36 PRO HB3 H 1.892 0.03 2 312 . 36 PRO C C 173.423 0.3 1 313 . 37 TRP N N 120.012 0.2 1 314 . 37 TRP H H 7.493 0.03 1 315 . 37 TRP CA C 54.250 0.3 1 316 . 37 TRP HA H 4.823 0.03 1 317 . 37 TRP CB C 27.898 0.3 1 318 . 37 TRP HB2 H 3.380 0.03 2 319 . 37 TRP HB3 H 3.158 0.03 2 320 . 37 TRP CD1 C 125.037 0.3 1 321 . 37 TRP HD1 H 7.154 0.03 1 322 . 37 TRP NE1 N 131.486 0.2 1 323 . 37 TRP HE1 H 10.130 0.03 1 324 . 37 TRP CE3 C 117.927 0.3 1 325 . 37 TRP HE3 H 7.562 0.03 1 326 . 37 TRP CZ2 C 112.697 0.3 1 327 . 37 TRP HZ2 H 7.453 0.03 1 328 . 37 TRP CZ3 C 119.828 0.3 1 329 . 37 TRP HZ3 H 7.142 0.03 1 330 . 37 TRP CH2 C 122.366 0.3 1 331 . 37 TRP HH2 H 7.185 0.03 1 332 . 37 TRP C C 173.261 0.3 1 333 . 38 GLY N N 108.243 0.2 1 334 . 38 GLY H H 8.284 0.03 1 335 . 38 GLY CA C 41.966 0.3 1 336 . 38 GLY HA2 H 3.392 0.03 2 337 . 38 GLY HA3 H 4.231 0.03 2 338 . 38 GLY C C 169.573 0.3 1 339 . 42 SER N N 118.665 0.2 1 340 . 42 SER H H 8.171 0.03 1 341 . 42 SER CA C 59.087 0.3 1 342 . 42 SER HA H 4.195 0.03 1 343 . 42 SER CB C 59.870 0.3 1 344 . 42 SER HB2 H 3.865 0.03 2 345 . 43 LEU N N 126.239 0.2 1 346 . 43 LEU H H 7.420 0.03 1 347 . 43 LEU CA C 55.273 0.3 1 348 . 43 LEU HA H 4.259 0.03 1 349 . 43 LEU CB C 39.519 0.3 1 350 . 43 LEU HB2 H 1.860 0.03 2 351 . 43 LEU HB3 H 1.575 0.03 2 352 . 43 LEU CG C 25.047 0.3 1 353 . 43 LEU HG H 1.397 0.03 1 354 . 43 LEU CD1 C 23.641 0.3 2 355 . 43 LEU HD1 H 0.969 0.03 2 356 . 43 LEU CD2 C 20.751 0.3 2 357 . 43 LEU HD2 H 0.980 0.03 2 358 . 43 LEU C C 176.709 0.3 1 359 . 44 MET N N 117.237 0.2 1 360 . 44 MET H H 7.831 0.03 1 361 . 44 MET CA C 59.174 0.3 1 362 . 44 MET HA H 3.530 0.03 1 363 . 44 MET CB C 29.779 0.3 1 364 . 44 MET HB2 H 1.052 0.03 2 365 . 44 MET HB3 H 1.413 0.03 2 366 . 44 MET CE C 14.259 0.3 1 367 . 44 MET HE H 1.596 0.03 1 368 . 44 MET C C 175.312 0.3 1 369 . 45 SER N N 115.377 0.2 1 370 . 45 SER H H 8.077 0.03 1 371 . 45 SER CA C 59.565 0.3 1 372 . 45 SER HA H 4.398 0.03 1 373 . 45 SER CB C 60.826 0.3 1 374 . 45 SER HB2 H 4.090 0.03 1 375 . 45 SER HB3 H 4.090 0.03 1 376 . 45 SER C C 174.413 0.3 1 377 . 46 GLU N N 123.021 0.2 1 378 . 46 GLU H H 7.729 0.03 1 379 . 46 GLU CA C 57.174 0.3 1 380 . 46 GLU HA H 4.130 0.03 1 381 . 46 GLU CB C 27.692 0.3 1 382 . 46 GLU HB2 H 1.979 0.03 2 383 . 46 GLU HB3 H 1.939 0.03 2 384 . 46 GLU CG C 34.021 0.3 1 385 . 46 GLU HG2 H 2.293 0.03 2 386 . 46 GLU C C 172.957 0.3 1 387 . 47 ILE N N 120.636 0.2 1 388 . 47 ILE H H 7.961 0.03 1 389 . 47 ILE CA C 63.432 0.3 1 390 . 47 ILE HA H 3.527 0.03 1 391 . 47 ILE CB C 35.397 0.3 1 392 . 47 ILE HB H 1.917 0.03 1 393 . 47 ILE CG1 C 28.197 0.3 1 394 . 47 ILE HG12 H 1.981 0.03 2 395 . 47 ILE HG13 H 2.032 0.03 2 396 . 47 ILE CG2 C 17.369 0.3 1 397 . 47 ILE HG2 H 0.879 0.03 1 398 . 47 ILE CD1 C 12.685 0.3 1 399 . 47 ILE HD1 H 0.611 0.03 1 400 . 47 ILE C C 175.215 0.3 1 401 . 48 ALA N N 123.253 0.2 1 402 . 48 ALA H H 8.504 0.03 1 403 . 48 ALA CA C 53.934 0.3 1 404 . 48 ALA HA H 3.979 0.03 1 405 . 48 ALA CB C 15.809 0.3 1 406 . 48 ALA HB H 1.617 0.03 1 407 . 48 ALA C C 179.127 0.3 1 408 . 49 ASP N N 121.608 0.2 1 409 . 49 ASP H H 8.232 0.03 1 410 . 49 ASP CA C 55.782 0.3 1 411 . 49 ASP HA H 4.707 0.03 1 412 . 49 ASP CB C 38.215 0.3 1 413 . 49 ASP HB2 H 2.758 0.03 2 414 . 49 ASP HB3 H 2.919 0.03 2 415 . 49 ASP C C 177.472 0.3 1 416 . 50 LEU N N 121.408 0.2 1 417 . 50 LEU H H 7.688 0.03 1 418 . 50 LEU CA C 55.008 0.3 1 419 . 50 LEU HA H 4.294 0.03 1 420 . 50 LEU CB C 40.911 0.3 1 421 . 50 LEU HB2 H 1.395 0.03 2 422 . 50 LEU HB3 H 1.427 0.03 2 423 . 50 LEU CG C 24.875 0.3 1 424 . 50 LEU HG H 1.960 0.03 1 425 . 50 LEU CD1 C 22.837 0.3 2 426 . 50 LEU HD1 H 0.811 0.03 2 427 . 50 LEU CD2 C 20.276 0.3 2 428 . 50 LEU HD2 H 0.924 0.03 2 429 . 50 LEU C C 176.518 0.3 1 430 . 51 THR N N 108.759 0.2 1 431 . 51 THR H H 7.827 0.03 1 432 . 51 THR CA C 63.074 0.3 1 433 . 51 THR HA H 3.995 0.03 1 434 . 51 THR CB C 67.871 0.3 1 435 . 51 THR HB H 4.317 0.03 1 436 . 51 THR CG2 C 21.515 0.3 1 437 . 51 THR HG2 H 1.507 0.03 1 438 . 51 THR C C 171.966 0.3 1 439 . 52 TYR N N 118.522 0.2 1 440 . 52 TYR H H 7.225 0.03 1 441 . 52 TYR CA C 58.033 0.3 1 442 . 52 TYR HA H 4.226 0.03 1 443 . 52 TYR CB C 35.780 0.3 1 444 . 52 TYR HB2 H 3.349 0.03 2 445 . 52 TYR HB3 H 2.888 0.03 2 446 . 52 TYR CD1 C 131.624 0.3 1 447 . 52 TYR HD1 H 7.485 0.03 1 448 . 52 TYR CD2 C 131.624 0.3 1 449 . 52 TYR HD2 H 7.485 0.03 1 450 . 52 TYR CE1 C 115.723 0.3 1 451 . 52 TYR HE1 H 6.899 0.03 1 452 . 52 TYR CE2 C 115.723 0.3 1 453 . 52 TYR HE2 H 6.899 0.03 1 454 . 52 TYR C C 172.696 0.3 1 455 . 53 ASN N N 123.670 0.2 1 456 . 53 ASN H H 7.938 0.03 1 457 . 53 ASN CA C 50.240 0.3 1 458 . 53 ASN HA H 5.011 0.03 1 459 . 53 ASN CB C 38.128 0.3 1 460 . 53 ASN HB2 H 3.294 0.03 2 461 . 53 ASN HB3 H 2.912 0.03 2 462 . 53 ASN C C 172.775 0.3 1 463 . 54 VAL N N 125.659 0.2 1 464 . 54 VAL H H 8.720 0.03 1 465 . 54 VAL CA C 64.162 0.3 1 466 . 54 VAL HA H 3.838 0.03 1 467 . 54 VAL CB C 29.662 0.3 1 468 . 54 VAL HB H 2.194 0.03 1 469 . 54 VAL CG1 C 18.902 0.3 2 470 . 54 VAL HG1 H 1.073 0.03 2 471 . 54 VAL CG2 C 18.791 0.3 2 472 . 54 VAL HG2 H 1.058 0.03 2 473 . 54 VAL C C 175.312 0.3 1 474 . 55 VAL N N 123.550 0.2 1 475 . 55 VAL H H 7.728 0.03 1 476 . 55 VAL CA C 63.790 0.3 1 477 . 55 VAL HA H 3.853 0.03 1 478 . 55 VAL CB C 29.692 0.3 1 479 . 55 VAL HB H 2.169 0.03 1 480 . 55 VAL CG1 C 18.737 0.3 2 481 . 55 VAL HG1 H 0.948 0.03 2 482 . 55 VAL CG2 C 20.276 0.3 2 483 . 55 VAL HG2 H 1.066 0.03 2 484 . 55 VAL C C 176.176 0.3 1 485 . 56 ALA N N 124.245 0.2 1 486 . 56 ALA H H 8.050 0.03 1 487 . 56 ALA CA C 52.438 0.3 1 488 . 56 ALA HA H 4.084 0.03 1 489 . 56 ALA CB C 16.175 0.3 1 490 . 56 ALA HB H 1.564 0.03 1 491 . 56 ALA C C 177.256 0.3 1 492 . 57 PHE N N 118.336 0.2 1 493 . 57 PHE H H 9.168 0.03 1 494 . 57 PHE CA C 60.505 0.3 1 495 . 57 PHE HA H 3.735 0.03 1 496 . 57 PHE CB C 36.472 0.3 1 497 . 57 PHE HB2 H 3.561 0.03 2 498 . 57 PHE HB3 H 3.044 0.03 2 499 . 57 PHE CD1 C 128.958 0.3 1 500 . 57 PHE HD1 H 7.158 0.03 1 501 . 57 PHE CD2 C 128.958 0.3 1 502 . 57 PHE HD2 H 7.158 0.03 1 503 . 57 PHE CE1 C 128.999 0.3 1 504 . 57 PHE HE1 H 7.146 0.03 1 505 . 57 PHE CE2 C 128.999 0.3 1 506 . 57 PHE HE2 H 7.146 0.03 1 507 . 57 PHE C C 173.981 0.3 1 508 . 58 SER N N 114.303 0.2 1 509 . 58 SER H H 7.392 0.03 1 510 . 58 SER CA C 59.431 0.3 1 511 . 58 SER HA H 3.984 0.03 1 512 . 58 SER CB C 60.826 0.3 1 513 . 58 SER HB2 H 4.108 0.03 1 514 . 58 SER HB3 H 4.108 0.03 1 515 . 58 SER C C 174.952 0.3 1 516 . 59 GLU N N 123.933 0.2 1 517 . 59 GLU H H 7.444 0.03 1 518 . 59 GLU CA C 56.601 0.3 1 519 . 59 GLU HA H 4.060 0.03 1 520 . 59 GLU CB C 27.928 0.3 1 521 . 59 GLU HB2 H 2.259 0.03 2 522 . 59 GLU HB3 H 2.508 0.03 2 523 . 59 GLU CG C 33.750 0.3 1 524 . 59 GLU HG2 H 2.537 0.03 2 525 . 59 GLU HG3 H 2.218 0.03 2 526 . 59 GLU C C 177.375 0.3 1 527 . 60 ILE N N 121.864 0.2 1 528 . 60 ILE H H 8.745 0.03 1 529 . 60 ILE CA C 62.814 0.3 1 530 . 60 ILE HA H 3.284 0.03 1 531 . 60 ILE CB C 36.320 0.3 1 532 . 60 ILE HB H 1.635 0.03 1 533 . 60 ILE CG1 C 26.925 0.3 1 534 . 60 ILE HG12 H 1.674 0.03 2 535 . 60 ILE HG13 H 1.703 0.03 2 536 . 60 ILE CG2 C 13.606 0.3 1 537 . 60 ILE HG2 H 0.482 0.03 1 538 . 60 ILE CD1 C 13.108 0.3 1 539 . 60 ILE HD1 H 0.696 0.03 1 540 . 60 ILE C C 175.024 0.3 1 541 . 61 MET N N 116.278 0.2 1 542 . 61 MET H H 7.952 0.03 1 543 . 61 MET CA C 53.576 0.3 1 544 . 61 MET HA H 3.928 0.03 1 545 . 61 MET CB C 25.952 0.3 1 546 . 61 MET HB2 H 1.925 0.03 2 547 . 61 MET HB3 H 1.617 0.03 2 548 . 61 MET CG C 28.680 0.3 1 549 . 61 MET HG2 H 1.948 0.03 2 550 . 61 MET HG3 H 1.988 0.03 2 551 . 61 MET CE C 12.875 0.3 1 552 . 61 MET HE H 1.627 0.03 1 553 . 61 MET C C 175.690 0.3 1 554 . 62 SER N N 113.072 0.2 1 555 . 62 SER H H 7.780 0.03 1 556 . 62 SER CA C 59.789 0.3 1 557 . 62 SER HA H 4.315 0.03 1 558 . 62 SER CB C 60.652 0.3 1 559 . 62 SER HB2 H 3.947 0.03 1 560 . 62 SER HB3 H 3.947 0.03 1 561 . 62 SER C C 175.168 0.3 1 562 . 63 MET N N 120.620 0.2 1 563 . 63 MET H H 7.482 0.03 1 564 . 63 MET CA C 54.260 0.3 1 565 . 63 MET HA H 4.518 0.03 1 566 . 63 MET CB C 28.996 0.3 1 567 . 63 MET HB2 H 1.905 0.03 2 568 . 63 MET HB3 H 2.164 0.03 2 569 . 63 MET CG C 30.952 0.3 1 570 . 63 MET HG2 H 2.398 0.03 2 571 . 63 MET CE C 14.779 0.3 1 572 . 63 MET HE H 1.898 0.03 1 573 . 63 MET C C 175.600 0.3 1 574 . 64 ILE N N 122.519 0.2 1 575 . 64 ILE H H 8.025 0.03 1 576 . 64 ILE CA C 64.870 0.3 1 577 . 64 ILE HA H 3.161 0.03 1 578 . 64 ILE CB C 34.736 0.3 1 579 . 64 ILE HB H 1.474 0.03 1 580 . 64 ILE CG1 C 28.543 0.3 1 581 . 64 ILE HG12 H 0.431 0.03 2 582 . 64 ILE HG13 H 1.761 0.03 2 583 . 64 ILE CG2 C 14.487 0.3 1 584 . 64 ILE HG2 H 0.201 0.03 1 585 . 64 ILE CD1 C 11.647 0.3 1 586 . 64 ILE HD1 H 0.442 0.03 1 587 . 64 ILE C C 179.127 0.3 1 588 . 65 TRP N N 118.637 0.2 1 589 . 65 TRP H H 8.215 0.03 1 590 . 65 TRP CA C 57.652 0.3 1 591 . 65 TRP HA H 4.567 0.03 1 592 . 65 TRP CB C 27.170 0.3 1 593 . 65 TRP HB2 H 3.335 0.03 2 594 . 65 TRP HB3 H 3.177 0.03 2 595 . 65 TRP CD1 C 128.268 0.3 1 596 . 65 TRP HD1 H 7.108 0.03 1 597 . 65 TRP NE1 N 129.586 0.2 1 598 . 65 TRP HE1 H 10.345 0.03 1 599 . 65 TRP CE3 C 119.373 0.3 1 600 . 65 TRP HE3 H 7.621 0.03 1 601 . 65 TRP CZ2 C 111.347 0.3 1 602 . 65 TRP HZ2 H 7.138 0.03 1 603 . 65 TRP CZ3 C 119.294 0.3 1 604 . 65 TRP HZ3 H 6.706 0.03 1 605 . 65 TRP CH2 C 121.776 0.3 1 606 . 65 TRP HH2 H 7.001 0.03 1 607 . 65 TRP C C 177.274 0.3 1 608 . 66 LYS N N 119.586 0.2 1 609 . 66 LYS H H 7.688 0.03 1 610 . 66 LYS CA C 57.739 0.3 1 611 . 66 LYS HA H 4.115 0.03 1 612 . 66 LYS CB C 30.127 0.3 1 613 . 66 LYS HB2 H 1.977 0.03 1 614 . 66 LYS HB3 H 1.977 0.03 1 615 . 66 LYS CG C 23.266 0.3 1 616 . 66 LYS HG2 H 1.464 0.03 2 617 . 66 LYS HG3 H 1.635 0.03 2 618 . 66 LYS CD C 27.327 0.3 1 619 . 66 LYS HD2 H 1.724 0.03 2 620 . 66 LYS HD3 H 1.674 0.03 2 621 . 66 LYS CE C 39.904 0.3 1 622 . 66 LYS HE2 H 2.992 0.03 2 623 . 66 LYS C C 178.155 0.3 1 624 . 67 ARG N N 121.739 0.2 1 625 . 67 ARG H H 8.047 0.03 1 626 . 67 ARG CA C 55.651 0.3 1 627 . 67 ARG HA H 3.958 0.03 1 628 . 67 ARG CB C 28.214 0.3 1 629 . 67 ARG HB2 H 1.628 0.03 2 630 . 67 ARG CG C 25.355 0.3 1 631 . 67 ARG HG2 H 1.431 0.03 2 632 . 67 ARG C C 175.330 0.3 1 633 . 68 LEU N N 116.825 0.2 1 634 . 68 LEU H H 7.932 0.03 1 635 . 68 LEU CA C 54.564 0.3 1 636 . 68 LEU HA H 4.071 0.03 1 637 . 68 LEU CB C 39.898 0.3 1 638 . 68 LEU HB2 H 1.797 0.03 2 639 . 68 LEU HB3 H 1.834 0.03 2 640 . 68 LEU CG C 24.385 0.3 1 641 . 68 LEU HG H 1.907 0.03 1 642 . 68 LEU CD1 C 24.192 0.3 2 643 . 68 LEU HD1 H 0.683 0.03 2 644 . 68 LEU CD2 C 23.615 0.3 2 645 . 68 LEU HD2 H 0.835 0.03 2 646 . 68 LEU C C 174.179 0.3 1 647 . 69 ASN N N 116.271 0.2 1 648 . 69 ASN H H 7.367 0.03 1 649 . 69 ASN CA C 50.433 0.3 1 650 . 69 ASN HA H 5.008 0.03 1 651 . 69 ASN CB C 37.556 0.3 1 652 . 69 ASN HB2 H 3.071 0.03 2 653 . 69 ASN HB3 H 2.795 0.03 2 654 . 69 ASN C C 172.685 0.3 1 655 . 70 ASP N N 121.921 0.2 1 656 . 70 ASP H H 7.178 0.03 1 657 . 70 ASP CA C 52.042 0.3 1 658 . 70 ASP HA H 4.860 0.03 1 659 . 70 ASP CB C 40.288 0.3 1 660 . 70 ASP HB2 H 2.912 0.03 2 661 . 70 ASP HB3 H 2.699 0.03 2 662 . 70 ASP C C 172.056 0.3 1 663 . 71 HIS N N 113.733 0.2 1 664 . 71 HIS H H 8.755 0.03 1 665 . 71 HIS CA C 52.825 0.3 1 666 . 71 HIS HA H 5.102 0.03 1 667 . 71 HIS CB C 30.465 0.3 1 668 . 71 HIS HB2 H 3.154 0.03 2 669 . 71 HIS HB3 H 3.373 0.03 2 670 . 71 HIS CD2 C 118.022 0.3 1 671 . 71 HIS HD2 H 7.265 0.03 1 672 . 71 HIS C C 173.405 0.3 1 673 . 72 GLY N N 110.926 0.2 1 674 . 72 GLY H H 8.843 0.03 1 675 . 72 GLY CA C 45.041 0.3 1 676 . 72 GLY HA2 H 3.841 0.03 2 677 . 72 GLY HA3 H 3.498 0.03 2 678 . 72 GLY C C 171.588 0.3 1 679 . 73 LYS N N 124.994 0.2 1 680 . 73 LYS H H 8.578 0.03 1 681 . 73 LYS CA C 55.999 0.3 1 682 . 73 LYS HA H 3.825 0.03 1 683 . 73 LYS CB C 29.619 0.3 1 684 . 73 LYS HB2 H 1.929 0.03 1 685 . 73 LYS HB3 H 1.929 0.03 1 686 . 73 LYS CG C 21.696 0.3 1 687 . 73 LYS HG2 H 1.563 0.03 2 688 . 73 LYS HG3 H 1.308 0.03 2 689 . 73 LYS CD C 27.348 0.3 1 690 . 73 LYS HD2 H 1.746 0.03 2 691 . 73 LYS HD3 H 1.776 0.03 2 692 . 73 LYS CE C 39.881 0.3 1 693 . 73 LYS HE2 H 3.068 0.03 1 694 . 73 LYS HE3 H 3.068 0.03 1 695 . 73 LYS C C 174.701 0.3 1 696 . 74 ASN N N 120.080 0.2 1 697 . 74 ASN H H 7.791 0.03 1 698 . 74 ASN CA C 50.694 0.3 1 699 . 74 ASN HA H 4.770 0.03 1 700 . 74 ASN CB C 35.669 0.3 1 701 . 74 ASN HB2 H 2.810 0.03 2 702 . 74 ASN HB3 H 2.735 0.03 2 703 . 74 ASN C C 173.585 0.3 1 704 . 75 TRP N N 121.969 0.2 1 705 . 75 TRP H H 7.907 0.03 1 706 . 75 TRP CA C 58.130 0.3 1 707 . 75 TRP HA H 3.979 0.03 1 708 . 75 TRP CB C 25.518 0.3 1 709 . 75 TRP HB2 H 3.237 0.03 2 710 . 75 TRP HB3 H 3.610 0.03 2 711 . 75 TRP CD1 C 125.464 0.3 1 712 . 75 TRP HD1 H 7.134 0.03 1 713 . 75 TRP NE1 N 131.114 0.2 1 714 . 75 TRP HE1 H 10.554 0.03 1 715 . 75 TRP CE3 C 119.425 0.3 1 716 . 75 TRP HE3 H 7.191 0.03 1 717 . 75 TRP CZ2 C 112.550 0.3 1 718 . 75 TRP HZ2 H 7.327 0.03 1 719 . 75 TRP CZ3 C 118.455 0.3 1 720 . 75 TRP HZ3 H 6.366 0.03 1 721 . 75 TRP CH2 C 122.549 0.3 1 722 . 75 TRP HH2 H 6.912 0.03 1 723 . 75 TRP C C 174.629 0.3 1 724 . 76 ARG N N 124.567 0.2 1 725 . 76 ARG H H 7.833 0.03 1 726 . 76 ARG CA C 58.358 0.3 1 727 . 76 ARG HA H 3.139 0.03 1 728 . 76 ARG CB C 26.996 0.3 1 729 . 76 ARG HB2 H 1.072 0.03 2 730 . 76 ARG CG C 25.449 0.3 1 731 . 76 ARG HG2 H 0.190 0.03 1 732 . 76 ARG HG3 H 0.190 0.03 1 733 . 76 ARG CD C 40.936 0.3 1 734 . 76 ARG HD2 H 2.570 0.03 2 735 . 76 ARG C C 176.410 0.3 1 736 . 77 HIS N N 116.630 0.2 1 737 . 77 HIS H H 7.489 0.03 1 738 . 77 HIS CA C 54.520 0.3 1 739 . 77 HIS HA H 4.648 0.03 1 740 . 77 HIS CB C 27.473 0.3 1 741 . 77 HIS HB2 H 3.087 0.03 2 742 . 77 HIS HB3 H 3.632 0.03 2 743 . 77 HIS C C 173.981 0.3 1 744 . 78 VAL N N 118.579 0.2 1 745 . 78 VAL H H 6.740 0.03 1 746 . 78 VAL CA C 62.814 0.3 1 747 . 78 VAL HA H 3.479 0.03 1 748 . 78 VAL CB C 30.010 0.3 1 749 . 78 VAL HB H 2.120 0.03 1 750 . 78 VAL CG1 C 21.160 0.3 2 751 . 78 VAL HG1 H 0.954 0.03 2 752 . 78 VAL CG2 C 19.390 0.3 2 753 . 78 VAL HG2 H 1.010 0.03 2 754 . 78 VAL C C 175.870 0.3 1 755 . 79 TYR N N 119.944 0.2 1 756 . 79 TYR H H 8.263 0.03 1 757 . 79 TYR CA C 59.822 0.3 1 758 . 79 TYR HA H 3.927 0.03 1 759 . 79 TYR CB C 38.207 0.3 1 760 . 79 TYR HB2 H 3.141 0.03 2 761 . 79 TYR HB3 H 2.879 0.03 2 762 . 79 TYR CD1 C 130.023 0.3 1 763 . 79 TYR HD1 H 6.854 0.03 1 764 . 79 TYR CD2 C 130.023 0.3 1 765 . 79 TYR HD2 H 6.854 0.03 1 766 . 79 TYR CE1 C 116.738 0.3 1 767 . 79 TYR HE1 H 6.953 0.03 1 768 . 79 TYR CE2 C 116.738 0.3 1 769 . 79 TYR HE2 H 6.953 0.03 1 770 . 79 TYR C C 176.014 0.3 1 771 . 80 LYS N N 119.183 0.2 1 772 . 80 LYS H H 8.976 0.03 1 773 . 80 LYS CA C 57.870 0.3 1 774 . 80 LYS HA H 3.820 0.03 1 775 . 80 LYS CB C 30.660 0.3 1 776 . 80 LYS HB2 H 1.748 0.03 2 777 . 80 LYS HB3 H 1.805 0.03 2 778 . 80 LYS HG2 H 1.458 0.03 2 779 . 80 LYS C C 176.208 0.3 1 780 . 81 ALA N N 123.064 0.2 1 781 . 81 ALA H H 7.835 0.03 1 782 . 81 ALA CA C 53.642 0.3 1 783 . 81 ALA HA H 3.767 0.03 1 784 . 81 ALA CB C 15.438 0.3 1 785 . 81 ALA HB H 1.414 0.03 1 786 . 81 ALA C C 176.842 0.3 1 787 . 82 MET N N 118.210 0.2 1 788 . 82 MET H H 7.825 0.03 1 789 . 82 MET CA C 57.870 0.3 1 790 . 82 MET HA H 3.876 0.03 1 791 . 82 MET CB C 32.475 0.3 1 792 . 82 MET HB2 H 1.752 0.03 2 793 . 82 MET HB3 H 2.371 0.03 2 794 . 82 MET CE C 16.900 0.3 1 795 . 82 MET HE H 2.162 0.03 1 796 . 82 MET C C 175.546 0.3 1 797 . 83 THR N N 119.092 0.2 1 798 . 83 THR H H 7.839 0.03 1 799 . 83 THR CA C 64.636 0.3 1 800 . 83 THR HA H 3.793 0.03 1 801 . 83 THR CB C 66.006 0.3 1 802 . 83 THR HB H 4.144 0.03 1 803 . 83 THR CG2 C 19.212 0.3 1 804 . 83 THR HG2 H 1.111 0.03 1 805 . 83 THR C C 174.413 0.3 1 806 . 84 LEU N N 124.493 0.2 1 807 . 84 LEU H H 8.332 0.03 1 808 . 84 LEU CA C 55.268 0.3 1 809 . 84 LEU HA H 4.311 0.03 1 810 . 84 LEU CB C 39.258 0.3 1 811 . 84 LEU HB2 H 1.889 0.03 2 812 . 84 LEU HB3 H 1.868 0.03 2 813 . 84 LEU CG C 24.948 0.3 1 814 . 84 LEU HG H 1.399 0.03 1 815 . 84 LEU CD1 C 21.416 0.3 2 816 . 84 LEU HD1 H 0.810 0.03 2 817 . 84 LEU CD2 C 25.072 0.3 2 818 . 84 LEU HD2 H 0.726 0.03 2 819 . 84 LEU C C 175.330 0.3 1 820 . 85 MET N N 120.890 0.2 1 821 . 85 MET H H 8.561 0.03 1 822 . 85 MET CA C 58.325 0.3 1 823 . 85 MET HA H 3.491 0.03 1 824 . 85 MET CB C 31.170 0.3 1 825 . 85 MET HB2 H 2.083 0.03 2 826 . 85 MET HB3 H 2.064 0.03 2 827 . 85 MET CG C 29.420 0.3 1 828 . 85 MET HG2 H 1.969 0.03 2 829 . 85 MET CE C 15.271 0.3 1 830 . 85 MET HE H 1.432 0.03 1 831 . 85 MET C C 174.593 0.3 1 832 . 86 GLU N N 119.422 0.2 1 833 . 86 GLU H H 8.292 0.03 1 834 . 86 GLU CA C 57.903 0.3 1 835 . 86 GLU HA H 3.590 0.03 1 836 . 86 GLU CB C 28.219 0.3 1 837 . 86 GLU HB2 H 2.072 0.03 2 838 . 86 GLU HB3 H 2.265 0.03 2 839 . 86 GLU HG2 H 2.235 0.03 2 840 . 86 GLU C C 174.647 0.3 1 841 . 87 TYR N N 120.333 0.2 1 842 . 87 TYR H H 7.558 0.03 1 843 . 87 TYR CA C 59.789 0.3 1 844 . 87 TYR HA H 3.983 0.03 1 845 . 87 TYR CB C 37.780 0.3 1 846 . 87 TYR HB2 H 3.211 0.03 2 847 . 87 TYR HB3 H 3.100 0.03 2 848 . 87 TYR CD1 C 130.571 0.3 1 849 . 87 TYR HD1 H 6.860 0.03 1 850 . 87 TYR CD2 C 130.571 0.3 1 851 . 87 TYR HD2 H 6.860 0.03 1 852 . 87 TYR CE1 C 116.541 0.3 1 853 . 87 TYR HE1 H 6.670 0.03 1 854 . 87 TYR CE2 C 116.541 0.3 1 855 . 87 TYR HE2 H 6.670 0.03 1 856 . 87 TYR C C 173.297 0.3 1 857 . 88 LEU N N 120.373 0.2 1 858 . 88 LEU H H 8.858 0.03 1 859 . 88 LEU CA C 55.040 0.3 1 860 . 88 LEU HA H 3.903 0.03 1 861 . 88 LEU CB C 40.418 0.3 1 862 . 88 LEU HB2 H 1.338 0.03 2 863 . 88 LEU HB3 H 1.962 0.03 2 864 . 88 LEU CG C 23.407 0.3 1 865 . 88 LEU HG H 2.136 0.03 1 866 . 88 LEU CD1 C 23.388 0.3 2 867 . 88 LEU HD1 H 0.566 0.03 2 868 . 88 LEU CD2 C 19.559 0.3 2 869 . 88 LEU HD2 H 0.820 0.03 2 870 . 88 LEU C C 177.292 0.3 1 871 . 89 ILE N N 122.688 0.2 1 872 . 89 ILE H H 8.740 0.03 1 873 . 89 ILE CA C 63.074 0.3 1 874 . 89 ILE HA H 3.522 0.03 1 875 . 89 ILE CB C 35.780 0.3 1 876 . 89 ILE HB H 1.927 0.03 1 877 . 89 ILE CG1 C 28.404 0.3 1 878 . 89 ILE HG12 H 1.802 0.03 1 879 . 89 ILE HG13 H 1.802 0.03 1 880 . 89 ILE CG2 C 14.804 0.3 1 881 . 89 ILE HG2 H 0.801 0.03 1 882 . 89 ILE CD1 C 12.936 0.3 1 883 . 89 ILE HD1 H 0.774 0.03 1 884 . 89 ILE C C 175.960 0.3 1 885 . 90 LYS N N 117.770 0.2 1 886 . 90 LYS H H 7.275 0.03 1 887 . 90 LYS CA C 56.732 0.3 1 888 . 90 LYS HA H 4.108 0.03 1 889 . 90 LYS CB C 31.115 0.3 1 890 . 90 LYS HB2 H 1.748 0.03 1 891 . 90 LYS HB3 H 1.748 0.03 1 892 . 90 LYS CG C 23.299 0.3 1 893 . 90 LYS HG2 H 1.392 0.03 2 894 . 90 LYS HG3 H 1.463 0.03 2 895 . 90 LYS CD C 27.095 0.3 1 896 . 90 LYS HD2 H 1.625 0.03 2 897 . 90 LYS CE C 39.970 0.3 1 898 . 90 LYS HE2 H 2.891 0.03 2 899 . 90 LYS C C 176.194 0.3 1 900 . 91 THR N N 109.666 0.2 1 901 . 91 THR H H 7.805 0.03 1 902 . 91 THR CA C 60.472 0.3 1 903 . 91 THR HA H 4.468 0.03 1 904 . 91 THR CB C 68.651 0.3 1 905 . 91 THR HB H 3.781 0.03 1 906 . 91 THR CG2 C 19.192 0.3 1 907 . 91 THR HG2 H 0.892 0.03 1 908 . 91 THR C C 173.297 0.3 1 909 . 92 GLY N N 112.450 0.2 1 910 . 92 GLY H H 8.377 0.03 1 911 . 92 GLY CA C 41.075 0.3 1 912 . 92 GLY HA2 H 4.339 0.03 2 913 . 92 GLY HA3 H 3.573 0.03 2 914 . 92 GLY C C 169.638 0.3 1 915 . 93 SER N N 112.503 0.2 1 916 . 93 SER H H 7.276 0.03 1 917 . 93 SER CA C 55.550 0.3 1 918 . 93 SER HA H 3.822 0.03 1 919 . 93 SER CB C 61.261 0.3 1 920 . 93 SER HB2 H 3.142 0.03 2 921 . 93 SER HB3 H 2.791 0.03 2 922 . 93 SER C C 174.809 0.3 1 923 . 94 GLU N N 130.961 0.2 1 924 . 94 GLU H H 9.331 0.03 1 925 . 94 GLU CA C 56.851 0.3 1 926 . 94 GLU HA H 4.273 0.03 1 927 . 94 GLU CB C 26.887 0.3 1 928 . 94 GLU HB2 H 2.112 0.03 2 929 . 94 GLU CG C 33.534 0.3 1 930 . 94 GLU HG2 H 2.363 0.03 2 931 . 94 GLU C C 174.665 0.3 1 932 . 95 ARG N N 118.683 0.2 1 933 . 95 ARG H H 7.828 0.03 1 934 . 95 ARG CA C 56.298 0.3 1 935 . 95 ARG HA H 3.977 0.03 1 936 . 95 ARG CB C 28.318 0.3 1 937 . 95 ARG HB2 H 1.338 0.03 2 938 . 95 ARG HB3 H 0.977 0.03 2 939 . 95 ARG CG C 25.415 0.3 1 940 . 95 ARG HG2 H 1.397 0.03 1 941 . 95 ARG HG3 H 1.397 0.03 1 942 . 95 ARG CD C 40.727 0.3 1 943 . 95 ARG HD2 H 2.643 0.03 2 944 . 95 ARG HD3 H 2.772 0.03 2 945 . 95 ARG C C 176.878 0.3 1 946 . 96 VAL N N 120.133 0.2 1 947 . 96 VAL H H 8.077 0.03 1 948 . 96 VAL CA C 64.646 0.3 1 949 . 96 VAL HA H 3.860 0.03 1 950 . 96 VAL CB C 29.489 0.3 1 951 . 96 VAL HB H 2.308 0.03 1 952 . 96 VAL CG1 C 19.981 0.3 2 953 . 96 VAL HG1 H 1.209 0.03 2 954 . 96 VAL CG2 C 19.160 0.3 2 955 . 96 VAL HG2 H 0.830 0.03 2 956 . 96 VAL C C 175.852 0.3 1 957 . 97 SER N N 116.054 0.2 1 958 . 97 SER H H 7.742 0.03 1 959 . 97 SER CA C 60.418 0.3 1 960 . 97 SER HA H 3.859 0.03 1 961 . 97 SER CB C 60.259 0.3 1 962 . 97 SER HB2 H 4.013 0.03 1 963 . 97 SER HB3 H 4.013 0.03 1 964 . 97 SER C C 173.891 0.3 1 965 . 98 GLN N N 119.910 0.2 1 966 . 98 GLN H H 7.634 0.03 1 967 . 98 GLN CA C 57.100 0.3 1 968 . 98 GLN HA H 4.034 0.03 1 969 . 98 GLN CB C 25.998 0.3 1 970 . 98 GLN HB2 H 2.160 0.03 1 971 . 98 GLN HB3 H 2.160 0.03 1 972 . 98 GLN CG C 31.092 0.3 1 973 . 98 GLN HG2 H 2.437 0.03 2 974 . 98 GLN HG3 H 2.545 0.03 2 975 . 98 GLN C C 176.230 0.3 1 976 . 99 GLN N N 119.750 0.2 1 977 . 99 GLN H H 8.130 0.03 1 978 . 99 GLN CA C 57.165 0.3 1 979 . 99 GLN HA H 4.265 0.03 1 980 . 99 GLN CB C 27.234 0.3 1 981 . 99 GLN HB2 H 2.474 0.03 1 982 . 99 GLN HB3 H 2.474 0.03 1 983 . 99 GLN CG C 34.092 0.3 1 984 . 99 GLN HG2 H 2.834 0.03 1 985 . 99 GLN HG3 H 2.834 0.03 1 986 . 99 GLN C C 177.220 0.3 1 987 . 100 CYS N N 119.690 0.2 1 988 . 100 CYS H H 8.665 0.03 1 989 . 100 CYS CA C 62.532 0.3 1 990 . 100 CYS HA H 4.367 0.03 1 991 . 100 CYS CB C 25.478 0.3 1 992 . 100 CYS HB2 H 3.067 0.03 2 993 . 100 CYS HB3 H 2.745 0.03 2 994 . 100 CYS C C 173.927 0.3 1 995 . 101 LYS N N 118.860 0.2 1 996 . 101 LYS H H 8.208 0.03 1 997 . 101 LYS CA C 58.141 0.3 1 998 . 101 LYS HA H 3.970 0.03 1 999 . 101 LYS CB C 29.967 0.3 1 1000 . 101 LYS HB2 H 1.987 0.03 1 1001 . 101 LYS HB3 H 1.987 0.03 1 1002 . 101 LYS CG C 24.400 0.3 1 1003 . 101 LYS HG2 H 1.490 0.03 1 1004 . 101 LYS HG3 H 1.490 0.03 1 1005 . 101 LYS CD C 27.394 0.3 1 1006 . 101 LYS HD2 H 1.721 0.03 1 1007 . 101 LYS HD3 H 1.721 0.03 1 1008 . 101 LYS CE C 39.939 0.3 1 1009 . 101 LYS HE2 H 2.998 0.03 1 1010 . 101 LYS HE3 H 2.998 0.03 1 1011 . 101 LYS C C 177.490 0.3 1 1012 . 102 GLU N N 120.226 0.2 1 1013 . 102 GLU H H 7.749 0.03 1 1014 . 102 GLU CA C 56.347 0.3 1 1015 . 102 GLU HA H 4.152 0.03 1 1016 . 102 GLU CB C 27.451 0.3 1 1017 . 102 GLU HB2 H 2.156 0.03 1 1018 . 102 GLU HB3 H 2.156 0.03 1 1019 . 102 GLU CG C 33.936 0.3 1 1020 . 102 GLU HG2 H 2.504 0.03 2 1021 . 102 GLU HG3 H 2.469 0.03 2 1022 . 102 GLU C C 174.863 0.3 1 1023 . 103 ASN N N 118.578 0.2 1 1024 . 103 ASN H H 7.492 0.03 1 1025 . 103 ASN CA C 49.738 0.3 1 1026 . 103 ASN HA H 4.980 0.03 1 1027 . 103 ASN CB C 36.818 0.3 1 1028 . 103 ASN HB2 H 2.098 0.03 2 1029 . 103 ASN HB3 H 2.270 0.03 2 1030 . 103 ASN C C 172.919 0.3 1 1031 . 104 MET N N 120.393 0.2 1 1032 . 104 MET H H 7.117 0.03 1 1033 . 104 MET CA C 56.738 0.3 1 1034 . 104 MET HA H 4.010 0.03 1 1035 . 104 MET CB C 30.573 0.3 1 1036 . 104 MET HB2 H 2.154 0.03 2 1037 . 104 MET HB3 H 2.358 0.03 2 1038 . 104 MET CG C 29.709 0.3 1 1039 . 104 MET HG2 H 2.700 0.03 2 1040 . 104 MET HG3 H 2.530 0.03 2 1041 . 104 MET CE C 14.678 0.3 1 1042 . 104 MET HE H 1.586 0.03 1 1043 . 104 MET C C 175.690 0.3 1 1044 . 105 TYR N N 120.885 0.2 1 1045 . 105 TYR H H 8.547 0.03 1 1046 . 105 TYR CA C 58.608 0.3 1 1047 . 105 TYR HA H 4.287 0.03 1 1048 . 105 TYR CB C 35.257 0.3 1 1049 . 105 TYR HB2 H 3.131 0.03 2 1050 . 105 TYR HB3 H 2.959 0.03 2 1051 . 105 TYR CD1 C 130.907 0.3 1 1052 . 105 TYR HD1 H 7.101 0.03 1 1053 . 105 TYR CD2 C 130.907 0.3 1 1054 . 105 TYR HD2 H 7.101 0.03 1 1055 . 105 TYR CE1 C 116.087 0.3 1 1056 . 105 TYR HE1 H 6.829 0.03 1 1057 . 105 TYR CE2 C 116.087 0.3 1 1058 . 105 TYR HE2 H 6.829 0.03 1 1059 . 105 TYR C C 174.539 0.3 1 1060 . 106 ALA N N 122.815 0.2 1 1061 . 106 ALA H H 7.260 0.03 1 1062 . 106 ALA CA C 52.129 0.3 1 1063 . 106 ALA HA H 4.013 0.03 1 1064 . 106 ALA CB C 16.435 0.3 1 1065 . 106 ALA HB H 1.351 0.03 1 1066 . 106 ALA C C 176.734 0.3 1 1067 . 107 VAL N N 115.882 0.2 1 1068 . 107 VAL H H 7.284 0.03 1 1069 . 107 VAL CA C 62.348 0.3 1 1070 . 107 VAL HA H 3.918 0.03 1 1071 . 107 VAL CB C 30.040 0.3 1 1072 . 107 VAL HB H 2.161 0.03 1 1073 . 107 VAL CG1 C 19.619 0.3 2 1074 . 107 VAL HG1 H 1.004 0.03 2 1075 . 107 VAL CG2 C 20.767 0.3 2 1076 . 107 VAL HG2 H 0.983 0.03 2 1077 . 107 VAL C C 175.492 0.3 1 1078 . 108 GLN N N 119.848 0.2 1 1079 . 108 GLN H H 8.367 0.03 1 1080 . 108 GLN CA C 57.130 0.3 1 1081 . 108 GLN HA H 3.872 0.03 1 1082 . 108 GLN CB C 26.584 0.3 1 1083 . 108 GLN HB2 H 2.130 0.03 1 1084 . 108 GLN HB3 H 2.130 0.03 1 1085 . 108 GLN CG C 31.998 0.3 1 1086 . 108 GLN HG2 H 2.363 0.03 1 1087 . 108 GLN HG3 H 2.363 0.03 1 1088 . 108 GLN C C 177.184 0.3 1 1089 . 109 THR N N 112.667 0.2 1 1090 . 109 THR H H 7.765 0.03 1 1091 . 109 THR CA C 62.348 0.3 1 1092 . 109 THR HA H 4.099 0.03 1 1093 . 109 THR CB C 66.895 0.3 1 1094 . 109 THR HB H 4.145 0.03 1 1095 . 109 THR CG2 C 19.070 0.3 1 1096 . 109 THR HG2 H 1.197 0.03 1 1097 . 109 THR C C 173.963 0.3 1 1098 . 110 LEU N N 123.321 0.2 1 1099 . 110 LEU H H 7.479 0.03 1 1100 . 110 LEU CA C 54.042 0.3 1 1101 . 110 LEU HA H 4.361 0.03 1 1102 . 110 LEU CB C 38.525 0.3 1 1103 . 110 LEU HB2 H 2.182 0.03 2 1104 . 110 LEU HB3 H 1.430 0.03 2 1105 . 110 LEU CG C 24.534 0.3 1 1106 . 110 LEU HG H 1.974 0.03 1 1107 . 110 LEU CD1 C 20.841 0.3 2 1108 . 110 LEU HD1 H 1.099 0.03 2 1109 . 110 LEU CD2 C 24.712 0.3 2 1110 . 110 LEU HD2 H 1.078 0.03 2 1111 . 110 LEU C C 172.930 0.3 1 1112 . 111 LYS N N 118.415 0.2 1 1113 . 111 LYS H H 7.571 0.03 1 1114 . 111 LYS CA C 57.043 0.3 1 1115 . 111 LYS HA H 4.149 0.03 1 1116 . 111 LYS CB C 29.619 0.3 1 1117 . 111 LYS HB2 H 1.910 0.03 1 1118 . 111 LYS HB3 H 1.910 0.03 1 1119 . 111 LYS CG C 23.283 0.3 1 1120 . 111 LYS HG2 H 1.464 0.03 1 1121 . 111 LYS HG3 H 1.464 0.03 1 1122 . 111 LYS CD C 27.390 0.3 1 1123 . 111 LYS HD2 H 1.740 0.03 1 1124 . 111 LYS HD3 H 1.740 0.03 1 1125 . 111 LYS CE C 39.934 0.3 1 1126 . 111 LYS HE2 H 2.995 0.03 1 1127 . 111 LYS HE3 H 2.995 0.03 1 1128 . 111 LYS C C 173.351 0.3 1 1129 . 112 ASP N N 116.859 0.2 1 1130 . 112 ASP H H 7.296 0.03 1 1131 . 112 ASP CA C 51.086 0.3 1 1132 . 112 ASP HA H 4.971 0.03 1 1133 . 112 ASP CB C 39.897 0.3 1 1134 . 112 ASP HB2 H 2.531 0.03 2 1135 . 112 ASP HB3 H 2.959 0.03 2 1136 . 112 ASP C C 173.531 0.3 1 1137 . 113 PHE N N 125.619 0.2 1 1138 . 113 PHE H H 7.426 0.03 1 1139 . 113 PHE CA C 57.913 0.3 1 1140 . 113 PHE HA H 4.164 0.03 1 1141 . 113 PHE CB C 39.117 0.3 1 1142 . 113 PHE HB2 H 3.249 0.03 2 1143 . 113 PHE HB3 H 2.991 0.03 2 1144 . 113 PHE CD1 C 130.241 0.3 1 1145 . 113 PHE HD1 H 7.347 0.03 1 1146 . 113 PHE CD2 C 130.241 0.3 1 1147 . 113 PHE HD2 H 7.347 0.03 1 1148 . 113 PHE CE1 C 128.802 0.3 1 1149 . 113 PHE HE1 H 7.475 0.03 1 1150 . 113 PHE CE2 C 128.802 0.3 1 1151 . 113 PHE HE2 H 7.475 0.03 1 1152 . 113 PHE C C 171.948 0.3 1 1153 . 114 GLN N N 126.694 0.2 1 1154 . 114 GLN H H 7.977 0.03 1 1155 . 114 GLN CA C 51.694 0.3 1 1156 . 114 GLN HA H 4.570 0.03 1 1157 . 114 GLN CB C 30.074 0.3 1 1158 . 114 GLN HB2 H 1.938 0.03 2 1159 . 114 GLN CG C 30.959 0.3 1 1160 . 114 GLN HG2 H 2.354 0.03 2 1161 . 114 GLN C C 173.855 0.3 1 1162 . 115 TYR N N 121.652 0.2 1 1163 . 115 TYR H H 9.361 0.03 1 1164 . 115 TYR CA C 59.087 0.3 1 1165 . 115 TYR HA H 4.412 0.03 1 1166 . 115 TYR CB C 38.531 0.3 1 1167 . 115 TYR HB2 H 3.563 0.03 2 1168 . 115 TYR HB3 H 3.901 0.03 2 1169 . 115 TYR CD1 C 130.717 0.3 1 1170 . 115 TYR HD1 H 6.828 0.03 1 1171 . 115 TYR CD2 C 130.717 0.3 1 1172 . 115 TYR HD2 H 6.828 0.03 1 1173 . 115 TYR CE1 C 115.242 0.3 1 1174 . 115 TYR HE1 H 6.895 0.03 1 1175 . 115 TYR CE2 C 115.242 0.3 1 1176 . 115 TYR HE2 H 6.895 0.03 1 1177 . 115 TYR C C 170.004 0.3 1 1178 . 116 VAL N N 133.713 0.2 1 1179 . 116 VAL H H 7.741 0.03 1 1180 . 116 VAL CA C 58.434 0.3 1 1181 . 116 VAL HA H 4.363 0.03 1 1182 . 116 VAL CB C 30.617 0.3 1 1183 . 116 VAL HB H 1.621 0.03 1 1184 . 116 VAL CG1 C 18.782 0.3 2 1185 . 116 VAL HG1 H 0.739 0.03 2 1186 . 116 VAL CG2 C 18.389 0.3 2 1187 . 116 VAL HG2 H 0.699 0.03 2 1188 . 116 VAL C C 172.218 0.3 1 1189 . 117 ASP N N 126.738 0.2 1 1190 . 117 ASP H H 8.228 0.03 1 1191 . 117 ASP CA C 50.651 0.3 1 1192 . 117 ASP HA H 4.216 0.03 1 1193 . 117 ASP CB C 40.115 0.3 1 1194 . 117 ASP HB2 H 2.600 0.03 2 1195 . 117 ASP HB3 H 3.616 0.03 2 1196 . 117 ASP C C 175.996 0.3 1 1197 . 118 ARG N N 118.302 0.2 1 1198 . 118 ARG H H 8.392 0.03 1 1199 . 118 ARG CA C 56.086 0.3 1 1200 . 118 ARG HA H 4.114 0.03 1 1201 . 118 ARG CB C 27.494 0.3 1 1202 . 118 ARG HB2 H 1.954 0.03 2 1203 . 118 ARG CG C 24.542 0.3 1 1204 . 118 ARG HG2 H 1.740 0.03 2 1205 . 118 ARG CD C 41.203 0.3 1 1206 . 118 ARG HD2 H 3.285 0.03 2 1207 . 118 ARG C C 174.791 0.3 1 1208 . 119 ASP N N 120.016 0.2 1 1209 . 119 ASP H H 8.080 0.03 1 1210 . 119 ASP CA C 51.955 0.3 1 1211 . 119 ASP HA H 4.798 0.03 1 1212 . 119 ASP CB C 39.399 0.3 1 1213 . 119 ASP HB2 H 2.720 0.03 2 1214 . 119 ASP HB3 H 2.869 0.03 2 1215 . 119 ASP C C 174.089 0.3 1 1216 . 120 GLY N N 110.212 0.2 1 1217 . 120 GLY H H 8.211 0.03 1 1218 . 120 GLY CA C 43.041 0.3 1 1219 . 120 GLY HA2 H 4.105 0.03 2 1220 . 120 GLY HA3 H 3.413 0.03 2 1221 . 120 GLY C C 171.894 0.3 1 1222 . 121 LYS N N 124.115 0.2 1 1223 . 121 LYS H H 8.271 0.03 1 1224 . 121 LYS CA C 53.173 0.3 1 1225 . 121 LYS HA H 4.244 0.03 1 1226 . 121 LYS CB C 30.422 0.3 1 1227 . 121 LYS HB2 H 1.714 0.03 1 1228 . 121 LYS HB3 H 1.714 0.03 1 1229 . 121 LYS CG C 22.818 0.3 1 1230 . 121 LYS HG2 H 1.261 0.03 2 1231 . 121 LYS HG3 H 1.114 0.03 2 1232 . 121 LYS CD C 26.661 0.3 1 1233 . 121 LYS HD2 H 1.622 0.03 1 1234 . 121 LYS HD3 H 1.622 0.03 1 1235 . 121 LYS CE C 40.029 0.3 1 1236 . 121 LYS HE2 H 2.948 0.03 1 1237 . 121 LYS HE3 H 2.948 0.03 1 1238 . 121 LYS C C 173.549 0.3 1 1239 . 122 ASP N N 125.878 0.2 1 1240 . 122 ASP H H 8.638 0.03 1 1241 . 122 ASP CA C 51.433 0.3 1 1242 . 122 ASP HA H 4.577 0.03 1 1243 . 122 ASP CB C 37.345 0.3 1 1244 . 122 ASP HB2 H 2.952 0.03 2 1245 . 122 ASP HB3 H 2.546 0.03 2 1246 . 122 ASP C C 173.693 0.3 1 1247 . 123 GLN N N 125.614 0.2 1 1248 . 123 GLN H H 7.747 0.03 1 1249 . 123 GLN CA C 52.434 0.3 1 1250 . 123 GLN HA H 4.410 0.03 1 1251 . 123 GLN CB C 24.822 0.3 1 1252 . 123 GLN HB2 H 0.465 0.03 2 1253 . 123 GLN HB3 H 0.733 0.03 2 1254 . 123 GLN CG C 28.115 0.3 1 1255 . 123 GLN HG2 H 2.164 0.03 2 1256 . 123 GLN C C 176.428 0.3 1 1257 . 124 GLY N N 110.356 0.2 1 1258 . 124 GLY H H 9.113 0.03 1 1259 . 124 GLY CA C 45.520 0.3 1 1260 . 124 GLY HA2 H 3.955 0.03 2 1261 . 124 GLY HA3 H 4.491 0.03 2 1262 . 124 GLY C C 173.279 0.3 1 1263 . 125 VAL N N 124.450 0.2 1 1264 . 125 VAL H H 8.097 0.03 1 1265 . 125 VAL CA C 62.783 0.3 1 1266 . 125 VAL HA H 3.724 0.03 1 1267 . 125 VAL CB C 29.257 0.3 1 1268 . 125 VAL HB H 2.053 0.03 1 1269 . 125 VAL CG1 C 16.506 0.3 2 1270 . 125 VAL HG1 H 0.719 0.03 2 1271 . 125 VAL CG2 C 19.948 0.3 2 1272 . 125 VAL HG2 H 1.000 0.03 2 1273 . 125 VAL C C 172.937 0.3 1 1274 . 126 ASN N N 118.380 0.2 1 1275 . 126 ASN H H 7.097 0.03 1 1276 . 126 ASN CA C 54.173 0.3 1 1277 . 126 ASN HA H 4.407 0.03 1 1278 . 126 ASN CB C 36.823 0.3 1 1279 . 126 ASN HB2 H 2.358 0.03 2 1280 . 126 ASN HB3 H 2.392 0.03 2 1281 . 126 ASN C C 175.834 0.3 1 1282 . 127 VAL N N 120.169 0.2 1 1283 . 127 VAL H H 7.048 0.03 1 1284 . 127 VAL CA C 64.000 0.3 1 1285 . 127 VAL HA H 3.595 0.03 1 1286 . 127 VAL CB C 29.953 0.3 1 1287 . 127 VAL HB H 2.221 0.03 1 1288 . 127 VAL CG1 C 20.781 0.3 2 1289 . 127 VAL HG1 H 0.797 0.03 2 1290 . 127 VAL CG2 C 19.612 0.3 2 1291 . 127 VAL HG2 H 0.654 0.03 2 1292 . 127 VAL C C 174.413 0.3 1 1293 . 128 ARG N N 119.893 0.2 1 1294 . 128 ARG H H 8.340 0.03 1 1295 . 128 ARG CA C 58.652 0.3 1 1296 . 128 ARG HA H 4.177 0.03 1 1297 . 128 ARG CB C 29.518 0.3 1 1298 . 128 ARG HB2 H 1.815 0.03 2 1299 . 128 ARG C C 177.615 0.3 1 1300 . 129 GLU N N 117.153 0.2 1 1301 . 129 GLU H H 8.362 0.03 1 1302 . 129 GLU CA C 56.825 0.3 1 1303 . 129 GLU HA H 4.084 0.03 1 1304 . 129 GLU CB C 27.083 0.3 1 1305 . 129 GLU HB2 H 2.127 0.03 1 1306 . 129 GLU HB3 H 2.127 0.03 1 1307 . 129 GLU CG C 34.428 0.3 1 1308 . 129 GLU HG2 H 2.449 0.03 1 1309 . 129 GLU HG3 H 2.449 0.03 1 1310 . 129 GLU C C 177.202 0.3 1 1311 . 130 LYS N N 121.950 0.2 1 1312 . 130 LYS H H 7.487 0.03 1 1313 . 130 LYS CA C 55.043 0.3 1 1314 . 130 LYS HA H 4.315 0.03 1 1315 . 130 LYS CB C 28.735 0.3 1 1316 . 130 LYS HB2 H 2.103 0.03 2 1317 . 130 LYS C C 175.672 0.3 1 1318 . 131 ALA N N 124.159 0.2 1 1319 . 131 ALA H H 8.677 0.03 1 1320 . 131 ALA CA C 53.477 0.3 1 1321 . 131 ALA HA H 3.974 0.03 1 1322 . 131 ALA CB C 15.951 0.3 1 1323 . 131 ALA HB H 1.388 0.03 1 1324 . 131 ALA C C 177.166 0.3 1 1325 . 132 LYS N N 117.516 0.2 1 1326 . 132 LYS H H 7.604 0.03 1 1327 . 132 LYS CA C 57.913 0.3 1 1328 . 132 LYS HA H 3.853 0.03 1 1329 . 132 LYS CB C 30.562 0.3 1 1330 . 132 LYS HB2 H 2.016 0.03 1 1331 . 132 LYS HB3 H 2.016 0.03 1 1332 . 132 LYS CG C 23.347 0.3 1 1333 . 132 LYS HG2 H 1.757 0.03 1 1334 . 132 LYS HG3 H 1.757 0.03 1 1335 . 132 LYS CD C 27.302 0.3 1 1336 . 132 LYS HD2 H 1.773 0.03 1 1337 . 132 LYS HD3 H 1.773 0.03 1 1338 . 132 LYS CE C 39.911 0.3 1 1339 . 132 LYS HE2 H 2.986 0.03 1 1340 . 132 LYS HE3 H 2.986 0.03 1 1341 . 132 LYS C C 175.090 0.3 1 1342 . 133 GLN N N 120.334 0.2 1 1343 . 133 GLN H H 7.514 0.03 1 1344 . 133 GLN CA C 56.434 0.3 1 1345 . 133 GLN HA H 4.112 0.03 1 1346 . 133 GLN CB C 26.126 0.3 1 1347 . 133 GLN HB2 H 2.210 0.03 2 1348 . 133 GLN HB3 H 2.201 0.03 2 1349 . 133 GLN CG C 34.231 0.3 1 1350 . 133 GLN HG2 H 2.341 0.03 2 1351 . 133 GLN C C 176.644 0.3 1 1352 . 134 LEU N N 124.227 0.2 1 1353 . 134 LEU H H 8.544 0.03 1 1354 . 134 LEU CA C 55.521 0.3 1 1355 . 134 LEU HA H 4.094 0.03 1 1356 . 134 LEU CB C 40.302 0.3 1 1357 . 134 LEU HB2 H 1.619 0.03 2 1358 . 134 LEU HB3 H 1.765 0.03 2 1359 . 134 LEU CG C 25.589 0.3 1 1360 . 134 LEU HG H 1.644 0.03 1 1361 . 134 LEU CD1 C 22.148 0.3 2 1362 . 134 LEU HD1 H 0.909 0.03 2 1363 . 134 LEU CD2 C 22.549 0.3 2 1364 . 134 LEU HD2 H 0.870 0.03 2 1365 . 134 LEU C C 176.302 0.3 1 1366 . 135 VAL N N 119.684 0.2 1 1367 . 135 VAL H H 8.405 0.03 1 1368 . 135 VAL CA C 65.131 0.3 1 1369 . 135 VAL HA H 3.493 0.03 1 1370 . 135 VAL CB C 29.344 0.3 1 1371 . 135 VAL HB H 2.086 0.03 1 1372 . 135 VAL CG1 C 21.113 0.3 2 1373 . 135 VAL HG1 H 1.009 0.03 2 1374 . 135 VAL CG2 C 19.303 0.3 2 1375 . 135 VAL HG2 H 0.964 0.03 2 1376 . 135 VAL C C 175.186 0.3 1 1377 . 136 ALA N N 121.283 0.2 1 1378 . 136 ALA H H 7.374 0.03 1 1379 . 136 ALA CA C 52.955 0.3 1 1380 . 136 ALA HA H 4.066 0.03 1 1381 . 136 ALA CB C 15.690 0.3 1 1382 . 136 ALA HB H 1.495 0.03 1 1383 . 136 ALA C C 177.831 0.3 1 1384 . 137 LEU N N 120.474 0.2 1 1385 . 137 LEU H H 7.707 0.03 1 1386 . 137 LEU CA C 55.390 0.3 1 1387 . 137 LEU HA H 4.186 0.03 1 1388 . 137 LEU CB C 40.128 0.3 1 1389 . 137 LEU HB2 H 1.992 0.03 2 1390 . 137 LEU HB3 H 1.821 0.03 2 1391 . 137 LEU CG C 25.000 0.3 1 1392 . 137 LEU HG H 1.672 0.03 1 1393 . 137 LEU CD1 C 22.026 0.3 2 1394 . 137 LEU HD1 H 0.959 0.03 2 1395 . 137 LEU CD2 C 23.726 0.3 2 1396 . 137 LEU HD2 H 0.939 0.03 2 1397 . 137 LEU C C 176.727 0.3 1 1398 . 138 LEU N N 119.274 0.2 1 1399 . 138 LEU H H 7.984 0.03 1 1400 . 138 LEU CA C 54.303 0.3 1 1401 . 138 LEU HA H 4.084 0.03 1 1402 . 138 LEU CB C 40.390 0.3 1 1403 . 138 LEU HB2 H 1.448 0.03 2 1404 . 138 LEU HB3 H 1.952 0.03 2 1405 . 138 LEU CG C 24.868 0.3 1 1406 . 138 LEU HG H 1.872 0.03 1 1407 . 138 LEU CD1 C 21.371 0.3 2 1408 . 138 LEU HD1 H 0.855 0.03 2 1409 . 138 LEU CD2 C 23.408 0.3 2 1410 . 138 LEU HD2 H 0.801 0.03 2 1411 . 138 LEU C C 175.582 0.3 1 1412 . 139 ARG N N 119.422 0.2 1 1413 . 139 ARG H H 7.935 0.03 1 1414 . 139 ARG CA C 55.043 0.3 1 1415 . 139 ARG HA H 4.214 0.03 1 1416 . 139 ARG CB C 28.561 0.3 1 1417 . 139 ARG HB2 H 1.925 0.03 2 1418 . 139 ARG C C 174.269 0.3 1 1419 . 140 ASP N N 121.864 0.2 1 1420 . 140 ASP H H 7.911 0.03 1 1421 . 140 ASP CA C 52.521 0.3 1 1422 . 140 ASP HA H 4.638 0.03 1 1423 . 140 ASP CB C 38.737 0.3 1 1424 . 140 ASP HB2 H 2.893 0.03 2 1425 . 140 ASP HB3 H 2.690 0.03 2 1426 . 140 ASP C C 174.305 0.3 1 1427 . 141 GLU N N 122.497 0.2 1 1428 . 141 GLU H H 8.328 0.03 1 1429 . 141 GLU CA C 55.347 0.3 1 1430 . 141 GLU HA H 4.195 0.03 1 1431 . 141 GLU CB C 28.040 0.3 1 1432 . 141 GLU HB2 H 2.074 0.03 2 1433 . 141 GLU HB3 H 1.965 0.03 2 1434 . 141 GLU CG C 34.073 0.3 1 1435 . 141 GLU HG2 H 2.284 0.03 2 1436 . 141 GLU C C 174.773 0.3 1 1437 . 142 ASP N N 121.687 0.2 1 1438 . 142 ASP H H 8.313 0.03 1 1439 . 142 ASP CA C 52.955 0.3 1 1440 . 142 ASP HA H 4.574 0.03 1 1441 . 142 ASP CB C 38.824 0.3 1 1442 . 142 ASP HB2 H 2.669 0.03 2 1443 . 142 ASP HB3 H 2.718 0.03 2 1444 . 142 ASP C C 174.575 0.3 1 1445 . 143 ARG N N 121.748 0.2 1 1446 . 143 ARG H H 7.967 0.03 1 1447 . 143 ARG CA C 54.651 0.3 1 1448 . 143 ARG HA H 4.232 0.03 1 1449 . 143 ARG CB C 28.214 0.3 1 1450 . 143 ARG HB2 H 1.841 0.03 2 1451 . 143 ARG HG2 H 1.637 0.03 2 1452 . 143 ARG HD2 H 3.235 0.03 2 1453 . 143 ARG C C 174.539 0.3 1 1454 . 144 LEU N N 122.886 0.2 1 1455 . 144 LEU H H 8.114 0.03 1 1456 . 144 LEU CA C 53.434 0.3 1 1457 . 144 LEU HA H 4.280 0.03 1 1458 . 144 LEU CB C 39.867 0.3 1 1459 . 144 LEU HB2 H 1.612 0.03 2 1460 . 144 LEU HB3 H 1.587 0.03 2 1461 . 144 LEU CG C 24.991 0.3 1 1462 . 144 LEU HG H 1.644 0.03 1 1463 . 144 LEU CD1 C 22.704 0.3 2 1464 . 144 LEU HD1 H 0.924 0.03 2 1465 . 144 LEU CD2 C 21.289 0.3 2 1466 . 144 LEU HD2 H 0.867 0.03 2 1467 . 144 LEU C C 175.402 0.3 1 1468 . 145 ARG N N 122.038 0.2 1 1469 . 145 ARG H H 8.032 0.03 1 1470 . 145 ARG CA C 54.173 0.3 1 1471 . 145 ARG HA H 4.309 0.03 1 1472 . 145 ARG CB C 28.561 0.3 1 1473 . 145 ARG HB2 H 1.873 0.03 2 1474 . 145 ARG HB3 H 1.798 0.03 2 1475 . 145 ARG CG C 25.056 0.3 1 1476 . 145 ARG HG2 H 1.652 0.03 1 1477 . 145 ARG HG3 H 1.652 0.03 1 1478 . 145 ARG CD C 41.132 0.3 1 1479 . 145 ARG HD2 H 3.215 0.03 1 1480 . 145 ARG HD3 H 3.215 0.03 1 1481 . 145 ARG C C 174.035 0.3 1 1482 . 146 GLU N N 122.676 0.2 1 1483 . 146 GLU H H 8.207 0.03 1 1484 . 146 GLU CA C 54.303 0.3 1 1485 . 146 GLU HA H 4.300 0.03 1 1486 . 146 GLU CB C 28.214 0.3 1 1487 . 146 GLU HB2 H 1.956 0.03 2 1488 . 146 GLU HB3 H 2.084 0.03 2 1489 . 146 GLU CG C 34.006 0.3 1 1490 . 146 GLU HG2 H 2.287 0.03 1 1491 . 146 GLU HG3 H 2.287 0.03 1 1492 . 146 GLU C C 174.071 0.3 1 1493 . 147 GLU N N 123.560 0.2 1 1494 . 147 GLU H H 8.310 0.03 1 1495 . 147 GLU CA C 54.303 0.3 1 1496 . 147 GLU HA H 4.327 0.03 1 1497 . 147 GLU CB C 27.971 0.3 1 1498 . 147 GLU HB2 H 1.962 0.03 2 1499 . 147 GLU HB3 H 2.084 0.03 2 1500 . 147 GLU CG C 34.016 0.3 1 1501 . 147 GLU HG2 H 2.284 0.03 1 1502 . 147 GLU HG3 H 2.284 0.03 1 1503 . 147 GLU C C 173.225 0.3 1 1504 . 148 ARG N N 128.700 0.2 1 1505 . 148 ARG H H 7.884 0.03 1 1506 . 148 ARG CA C 55.146 0.3 1 1507 . 148 ARG HA H 4.198 0.03 1 1508 . 148 ARG CB C 29.207 0.3 1 1509 . 148 ARG HB2 H 1.717 0.03 2 1510 . 148 ARG HB3 H 1.859 0.03 2 1511 . 148 ARG CG C 24.990 0.3 1 1512 . 148 ARG HG2 H 1.612 0.03 1 1513 . 148 ARG HG3 H 1.612 0.03 1 1514 . 148 ARG CD C 41.177 0.3 1 1515 . 148 ARG HD2 H 3.198 0.03 1 1516 . 148 ARG HD3 H 3.198 0.03 1 stop_ save_