data_6279 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N resonance assignments and secondary structure of the murine angiogenin 4 ; _BMRB_accession_number 6279 _BMRB_flat_file_name bmr6279.str _Entry_type original _Submission_date 2004-07-29 _Accession_date 2004-08-02 _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 Pan Yun-Ru . . 2 Wu Kuen-Phon . . 3 Lou Yuan-Chao . . 4 Liao You-Di . . 5 Chen Chinpan . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 648 "13C chemical shifts" 466 "15N chemical shifts" 124 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-11-08 original author . stop_ _Original_release_date 2004-11-08 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to Editor: 1H, 13C and 15N resonance assignments and secondary structure of the murine angiogenin 4 ; _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 Pan Yun-Ru . . 2 Wu Kuen-Phon . . 3 Lou Yuan-Chao . . 4 Liao You-Di . . 5 Chen Chinpan . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 31 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 175 _Page_last 176 _Year 2005 _Details . save_ ################################## # Molecular system description # ################################## save_system_mAng4 _Saveframe_category molecular_system _Mol_system_name 'murine angiogenin 4' _Abbreviation_common mAng4 _Enzyme_commission_number 3.1.27.5 loop_ _Mol_system_component_name _Mol_label 'murine angiogenin 4' $mAng4 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all disulfide bound' loop_ _Biological_function 'angiogenesis promoter' ribonuclease 'microbicidal protein' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_mAng4 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common angiogenin _Abbreviation_common mAng4 _Molecular_mass 14178.1 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 121 _Mol_residue_sequence ; MQNERYEKFLRQHYDAKPKG RDDRYCESMMKERKLTSPCK DVNTFIHGTKKNIRAICGKK GSPYGENFRISNSPFQITTC THSRGSPWPPCGYRAFKDFR YIVIACEDGWPVHFDESFIS P ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 0 MET 2 1 GLN 3 2 ASN 4 3 GLU 5 4 ARG 6 5 TYR 7 6 GLU 8 7 LYS 9 8 PHE 10 9 LEU 11 10 ARG 12 11 GLN 13 12 HIS 14 13 TYR 15 14 ASP 16 15 ALA 17 16 LYS 18 17 PRO 19 18 LYS 20 19 GLY 21 20 ARG 22 21 ASP 23 22 ASP 24 23 ARG 25 24 TYR 26 25 CYS 27 26 GLU 28 27 SER 29 28 MET 30 29 MET 31 30 LYS 32 31 GLU 33 32 ARG 34 33 LYS 35 34 LEU 36 35 THR 37 36 SER 38 37 PRO 39 38 CYS 40 39 LYS 41 40 ASP 42 41 VAL 43 42 ASN 44 43 THR 45 44 PHE 46 45 ILE 47 46 HIS 48 47 GLY 49 48 THR 50 49 LYS 51 50 LYS 52 51 ASN 53 52 ILE 54 53 ARG 55 54 ALA 56 55 ILE 57 56 CYS 58 57 GLY 59 58 LYS 60 59 LYS 61 60 GLY 62 61 SER 63 62 PRO 64 63 TYR 65 64 GLY 66 65 GLU 67 66 ASN 68 67 PHE 69 68 ARG 70 69 ILE 71 70 SER 72 71 ASN 73 72 SER 74 73 PRO 75 74 PHE 76 75 GLN 77 76 ILE 78 77 THR 79 78 THR 80 79 CYS 81 80 THR 82 81 HIS 83 82 SER 84 83 ARG 85 84 GLY 86 85 SER 87 86 PRO 88 87 TRP 89 88 PRO 90 89 PRO 91 90 CYS 92 91 GLY 93 92 TYR 94 93 ARG 95 94 ALA 96 95 PHE 97 96 LYS 98 97 ASP 99 98 PHE 100 99 ARG 101 100 TYR 102 101 ILE 103 102 VAL 104 103 ILE 105 104 ALA 106 105 CYS 107 106 GLU 108 107 ASP 109 108 GLY 110 109 TRP 111 110 PRO 112 111 VAL 113 112 HIS 114 113 PHE 115 114 ASP 116 115 GLU 117 116 SER 118 117 PHE 119 118 ILE 120 119 SER 121 120 PRO stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 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 GenBank AAO62354 'angiogenin-4 [Mus musculus]' 99.17 144 100.00 100.00 1.09e-66 GenBank EDL42283 'mCG1042728 [Mus musculus]' 99.17 144 100.00 100.00 1.09e-66 GenBank AAI32445 'Ang4 protein [Mus musculus]' 99.17 144 100.00 100.00 1.09e-66 GenBank AAI32449 'Angiogenin, ribonuclease A family, member 4 [Mus musculus]' 99.17 144 100.00 100.00 1.09e-66 PDB 2J4T 'Biological And Structural Features Of Murine Angiogenin-4, An Angiogenic Protein' 99.17 144 99.17 100.00 1.99e-66 GenBank AAH42938 'Angiogenin, ribonuclease A family, member 4 [Mus musculus]' 99.17 144 100.00 100.00 1.09e-66 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Organ _Secretion $mAng4 'house mouse' 10090 Eukaryota Metazoa Mus musculus BL21(DE3) 'mid-small intestine (jejunum)' 'Paneth cell' 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 $mAng4 'recombinant technology' 'E. coli' Escherichia coli . plasmid pET22b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_unlabeled_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $mAng4 1.66 mM . stop_ save_ save_labeled_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $mAng4 1.5 mM '[U-95% 13C; U-90% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version 3.5 loop_ _Task process stop_ _Details . save_ save_aurelia _Saveframe_category software _Name aurelia _Version 3.1.6 loop_ _Task assignment stop_ _Details . save_ save_nmrpipe _Saveframe_category software _Name nmrpipe _Version . loop_ _Task process stop_ _Details . save_ save_nmrview _Saveframe_category software _Name nmrview _Version 5.22 loop_ _Task assignment stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer BRUKER _Model DRX _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer BRUKER _Model AVANCE _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label . save_ save_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQC' _Sample_label . save_ save_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label . save_ save_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH _Sample_label . save_ save_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCO)NH _Sample_label . save_ save_1H-15N_TOCSY-HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TOCSY-HSQC' _Sample_label . save_ save_1H-15N_NOESY-HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY-HSQC' _Sample_label . save_ save_HBHA(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CO)NH _Sample_label . save_ save_HNHA_12 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_1H-13C_HCCH-TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HCCH-TOCSY' _Sample_label . save_ save_1H-13C_NOESY-HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C NOESY-HSQC' _Sample_label . save_ save_1H-13C_TOCSY-HSQC_15 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C TOCSY-HSQC' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details 'The AVANCE 600 machine was equipped with the cryogenic probe.' save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQC' _BMRB_pulse_sequence_accession_number . _Details 'The AVANCE 600 machine was equipped with the cryogenic probe.' save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details 'The AVANCE 600 machine was equipped with the cryogenic probe.' save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details 'The AVANCE 600 machine was equipped with the cryogenic probe.' save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details 'The AVANCE 600 machine was equipped with the cryogenic probe.' save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _BMRB_pulse_sequence_accession_number . _Details 'The AVANCE 600 machine was equipped with the cryogenic probe.' save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH _BMRB_pulse_sequence_accession_number . _Details 'The AVANCE 600 machine was equipped with the cryogenic probe.' save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCO)NH _BMRB_pulse_sequence_accession_number . _Details 'The AVANCE 600 machine was equipped with the cryogenic probe.' save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TOCSY-HSQC' _BMRB_pulse_sequence_accession_number . _Details 'The AVANCE 600 machine was equipped with the cryogenic probe.' save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details 'The AVANCE 600 machine was equipped with the cryogenic probe.' save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CO)NH _BMRB_pulse_sequence_accession_number . _Details 'The AVANCE 600 machine was equipped with the cryogenic probe.' save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _BMRB_pulse_sequence_accession_number . _Details 'The AVANCE 600 machine was equipped with the cryogenic probe.' save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HCCH-TOCSY' _BMRB_pulse_sequence_accession_number . _Details 'The AVANCE 600 machine was equipped with the cryogenic probe.' save_ save_NMR_spec_expt__0_14 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details 'The AVANCE 600 machine was equipped with the cryogenic probe.' save_ save_NMR_spec_expt__0_15 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C TOCSY-HSQC' _BMRB_pulse_sequence_accession_number . _Details 'The AVANCE 600 machine was equipped with the cryogenic probe.' save_ ####################### # Sample conditions # ####################### save_cond_set_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.0 0.2 pH temperature 310 1 K 'ionic strength' 0.1 0.01 M 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 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . 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_mAng4 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $unlabeled_sample $labeled_sample stop_ _Sample_conditions_label $cond_set_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'murine angiogenin 4' _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 GLN CA C 55.98 0.05 1 2 . 2 GLN CB C 29.574 0.05 1 3 . 2 GLN HB2 H 2.232 0.02 1 4 . 2 GLN HB3 H 2.232 0.02 1 5 . 2 GLN CG C 33.772 0.05 1 6 . 2 GLN HG2 H 2.616 0.02 2 7 . 2 GLN HG3 H 2.528 0.02 2 8 . 2 GLN NE2 N 111.534 0.05 1 9 . 2 GLN HE21 H 6.823 0.02 2 10 . 2 GLN HE22 H 6.515 0.02 2 11 . 2 GLN C C 176.958 0.05 1 12 . 3 ASN N N 121.112 0.05 1 13 . 3 ASN H H 8.333 0.02 1 14 . 3 ASN CA C 52.967 0.05 1 15 . 3 ASN HA H 4.551 0.02 1 16 . 3 ASN CB C 38.239 0.05 1 17 . 3 ASN HB2 H 2.412 0.02 2 18 . 3 ASN HB3 H 2.637 0.02 2 19 . 3 ASN ND2 N 107.999 0.05 1 20 . 3 ASN HD21 H 6.276 0.02 2 21 . 3 ASN HD22 H 7.336 0.02 2 22 . 3 ASN C C 175.666 0.05 1 23 . 4 GLU N N 124.377 0.05 1 24 . 4 GLU H H 8.755 0.02 1 25 . 4 GLU CA C 59.874 0.05 1 26 . 4 GLU HA H 4.025 0.02 1 27 . 4 GLU CB C 29.303 0.05 1 28 . 4 GLU HB2 H 2.059 0.02 1 29 . 4 GLU HB3 H 2.059 0.02 1 30 . 4 GLU CG C 35.599 0.05 1 31 . 4 GLU HG2 H 2.316 0.02 1 32 . 4 GLU HG3 H 2.316 0.02 1 33 . 4 GLU C C 179.039 0.05 1 34 . 5 ARG N N 119.034 0.05 1 35 . 5 ARG H H 8.263 0.02 1 36 . 5 ARG CA C 59.373 0.05 1 37 . 5 ARG HA H 4.126 0.02 1 38 . 5 ARG CB C 30.108 0.05 1 39 . 5 ARG HB2 H 1.986 0.02 1 40 . 5 ARG HB3 H 1.986 0.02 1 41 . 5 ARG CG C 27.337 0.05 1 42 . 5 ARG HG2 H 1.768 0.02 1 43 . 5 ARG HG3 H 1.768 0.02 1 44 . 5 ARG CD C 43.536 0.05 1 45 . 5 ARG HD2 H 3.288 0.02 1 46 . 5 ARG HD3 H 3.288 0.02 1 47 . 5 ARG NE N 85.257 0.05 1 48 . 5 ARG HE H 7.491 0.02 1 49 . 5 ARG C C 179.759 0.05 1 50 . 6 TYR N N 123.19 0.05 1 51 . 6 TYR H H 7.898 0.02 1 52 . 6 TYR CA C 58.48 0.05 1 53 . 6 TYR HA H 4.289 0.02 1 54 . 6 TYR CB C 38.058 0.05 1 55 . 6 TYR HB2 H 2.998 0.02 2 56 . 6 TYR HB3 H 2.793 0.02 2 57 . 6 TYR C C 177.287 0.05 1 58 . 7 GLU N N 118.143 0.05 1 59 . 7 GLU H H 8.08 0.02 1 60 . 7 GLU CA C 59.45 0.05 1 61 . 7 GLU HA H 3.717 0.02 1 62 . 7 GLU CB C 28.175 0.05 1 63 . 7 GLU HB2 H 1.979 0.02 1 64 . 7 GLU HB3 H 1.979 0.02 1 65 . 7 GLU CG C 36.038 0.05 1 66 . 7 GLU HG2 H 2.332 0.02 1 67 . 7 GLU HG3 H 2.332 0.02 1 68 . 7 GLU C C 180.164 0.05 1 69 . 8 LYS N N 120.518 0.05 1 70 . 8 LYS H H 8.025 0.02 1 71 . 8 LYS CA C 59.89 0.05 1 72 . 8 LYS HA H 4.234 0.02 1 73 . 8 LYS CB C 32.111 0.05 1 74 . 8 LYS HB2 H 1.983 0.02 1 75 . 8 LYS HB3 H 1.983 0.02 1 76 . 8 LYS CG C 25.569 0.05 1 77 . 8 LYS HG2 H 1.447 0.02 1 78 . 8 LYS HG3 H 1.447 0.02 1 79 . 8 LYS CD C 29.852 0.05 1 80 . 8 LYS HD2 H 1.666 0.02 1 81 . 8 LYS HD3 H 1.666 0.02 1 82 . 8 LYS CE C 44.886 0.05 1 83 . 8 LYS HE2 H 3.029 0.02 1 84 . 8 LYS HE3 H 3.029 0.02 1 85 . 8 LYS C C 177.904 0.05 1 86 . 9 PHE N N 121.854 0.05 1 87 . 9 PHE H H 7.862 0.02 1 88 . 9 PHE CA C 61.358 0.05 1 89 . 9 PHE HA H 4.322 0.02 1 90 . 9 PHE CB C 38.332 0.05 1 91 . 9 PHE HB2 H 3.085 0.02 2 92 . 9 PHE HB3 H 3.808 0.02 2 93 . 9 PHE C C 174.436 0.05 1 94 . 10 LEU N N 118.747 0.05 1 95 . 10 LEU H H 8.423 0.02 1 96 . 10 LEU CA C 56.58 0.05 1 97 . 10 LEU HA H 4.614 0.02 1 98 . 10 LEU CB C 41.474 0.05 1 99 . 10 LEU HB2 H 1.955 0.02 1 100 . 10 LEU HB3 H 1.955 0.02 1 101 . 10 LEU CG C 26.028 0.05 1 102 . 10 LEU HG H 1.42 0.02 1 103 . 10 LEU CD1 C 21.066 0.05 1 104 . 10 LEU HD1 H 1.017 0.02 2 105 . 10 LEU CD2 C 21.066 0.05 1 106 . 10 LEU HD2 H 0.919 0.02 2 107 . 10 LEU C C 180.637 0.05 1 108 . 11 ARG N N 120.221 0.05 1 109 . 11 ARG H H 8.115 0.02 1 110 . 11 ARG CA C 59.337 0.05 1 111 . 11 ARG HA H 4.078 0.02 1 112 . 11 ARG CB C 30.189 0.05 1 113 . 11 ARG HB2 H 2.217 0.02 1 114 . 11 ARG HB3 H 2.217 0.02 1 115 . 11 ARG CG C 28 0.05 1 116 . 11 ARG HG2 H 1.965 0.02 1 117 . 11 ARG HG3 H 1.965 0.02 1 118 . 11 ARG CD C 43.694 0.05 1 119 . 11 ARG HD2 H 3.255 0.02 1 120 . 11 ARG HD3 H 3.255 0.02 1 121 . 11 ARG NE N 84.338 0.05 1 122 . 11 ARG HE H 7.582 0.02 1 123 . 11 ARG C C 178.708 0.05 1 124 . 12 GLN N N 112.354 0.05 1 125 . 12 GLN H H 7.914 0.02 1 126 . 12 GLN CA C 57.89 0.05 1 127 . 12 GLN HA H 3.84 0.02 1 128 . 12 GLN CB C 29.238 0.05 1 129 . 12 GLN HB2 H 1.46 0.02 2 130 . 12 GLN HB3 H 1.3 0.02 2 131 . 12 GLN CG C 35.437 0.05 1 132 . 12 GLN HG2 H 1.833 0.02 2 133 . 12 GLN HG3 H 2.022 0.02 2 134 . 12 GLN NE2 N 112.116 0.05 1 135 . 12 GLN HE21 H 6.965 0.02 2 136 . 12 GLN HE22 H 7.389 0.02 2 137 . 12 GLN C C 175.66 0.05 1 138 . 13 HIS N N 106.12 0.05 1 139 . 13 HIS H H 7.976 0.02 1 140 . 13 HIS CA C 54.733 0.05 1 141 . 13 HIS HA H 4.872 0.02 1 142 . 13 HIS CB C 29.413 0.05 1 143 . 13 HIS HB2 H 1.796 0.02 2 144 . 13 HIS HB3 H 2.647 0.02 2 145 . 13 HIS C C 174.566 0.05 1 146 . 14 TYR N N 121.112 0.05 1 147 . 14 TYR H H 8.399 0.02 1 148 . 14 TYR CA C 57.233 0.05 1 149 . 14 TYR HA H 5.465 0.02 1 150 . 14 TYR CB C 42.06 0.05 1 151 . 14 TYR HB2 H 2.752 0.02 2 152 . 14 TYR HB3 H 3.439 0.02 2 153 . 14 TYR C C 174.585 0.05 1 154 . 15 ASP N N 126.456 0.05 1 155 . 15 ASP H H 7.955 0.02 1 156 . 15 ASP CA C 53.964 0.05 1 157 . 15 ASP HA H 4.373 0.02 1 158 . 15 ASP CB C 41.875 0.05 1 159 . 15 ASP HB2 H 2.626 0.02 2 160 . 15 ASP HB3 H 2.32 0.02 2 161 . 15 ASP C C 174.74 0.05 1 162 . 16 ALA N N 128.237 0.05 1 163 . 16 ALA H H 7.988 0.02 1 164 . 16 ALA CA C 55.625 0.05 1 165 . 16 ALA HA H 4.101 0.02 1 166 . 16 ALA CB C 19.938 0.05 1 167 . 16 ALA HB H 1.55 0.02 1 168 . 16 ALA C C 178.471 0.05 1 169 . 17 LYS N N 116.362 0.05 1 170 . 17 LYS H H 8.037 0.02 1 171 . 17 LYS CA C 52.773 0.05 1 172 . 17 LYS HA H 4.627 0.02 1 173 . 17 LYS CB C 32.77 0.05 1 174 . 17 LYS HB2 H 1.69 0.02 1 175 . 17 LYS HB3 H 1.69 0.02 1 176 . 17 LYS CG C 21.758 0.05 1 177 . 17 LYS HG2 H 1.244 0.02 1 178 . 17 LYS HG3 H 1.244 0.02 1 179 . 17 LYS CD C 26.255 0.05 1 180 . 17 LYS HD2 H 1.513 0.02 1 181 . 17 LYS HD3 H 1.513 0.02 1 182 . 17 LYS CE C 42.626 0.05 1 183 . 17 LYS HE2 H 3.151 0.02 1 184 . 17 LYS HE3 H 3.151 0.02 1 185 . 17 LYS HZ H 7.142 0.02 1 186 . 17 LYS C C 172.5 0.05 1 187 . 18 PRO CA C 62.745 0.05 1 188 . 18 PRO HA H 4.19 0.02 1 189 . 18 PRO CB C 32.749 0.05 1 190 . 18 PRO HB2 H 1.783 0.02 1 191 . 18 PRO HB3 H 1.783 0.02 1 192 . 18 PRO CG C 25.795 0.05 1 193 . 18 PRO HG2 H 1.472 0.02 2 194 . 18 PRO HG3 H 1.557 0.02 2 195 . 18 PRO CD C 50.004 0.05 1 196 . 18 PRO HD2 H 3.196 0.02 2 197 . 18 PRO HD3 H 3.364 0.02 2 198 . 18 PRO C C 177.533 0.05 1 199 . 19 LYS N N 121.409 0.05 1 200 . 19 LYS H H 7.901 0.02 1 201 . 19 LYS CA C 55.509 0.05 1 202 . 19 LYS HA H 4.226 0.02 1 203 . 19 LYS CB C 32.32 0.05 1 204 . 19 LYS HB2 H 1.748 0.02 1 205 . 19 LYS HB3 H 1.748 0.02 1 206 . 19 LYS CG C 24.837 0.05 1 207 . 19 LYS HG2 H 1.382 0.02 2 208 . 19 LYS HG3 H 1.472 0.02 2 209 . 19 LYS CD C 29.231 0.05 1 210 . 19 LYS HD2 H 1.671 0.02 1 211 . 19 LYS HD3 H 1.671 0.02 1 212 . 19 LYS CE C 41.974 0.05 1 213 . 19 LYS HE2 H 2.94 0.02 2 214 . 19 LYS HE3 H 3.143 0.02 2 215 . 19 LYS C C 176.8 0.05 1 216 . 20 GLY N N 111.018 0.05 1 217 . 20 GLY H H 7.945 0.02 1 218 . 20 GLY CA C 45.614 0.05 1 219 . 20 GLY HA2 H 3.794 0.02 1 220 . 20 GLY HA3 H 3.794 0.02 1 221 . 20 GLY C C 172.94 0.05 1 222 . 21 ARG N N 113.393 0.05 1 223 . 21 ARG H H 7.321 0.02 1 224 . 21 ARG CA C 55.562 0.05 1 225 . 21 ARG HA H 3.36 0.02 1 226 . 21 ARG CB C 28.733 0.05 1 227 . 21 ARG HB2 H 1.822 0.02 2 228 . 21 ARG HB3 H 2.071 0.02 2 229 . 21 ARG CG C 25.817 0.05 1 230 . 21 ARG HG2 H 1.337 0.02 1 231 . 21 ARG HG3 H 1.337 0.02 1 232 . 21 ARG CD C 41.06 0.05 1 233 . 21 ARG HD2 H 3.404 0.02 2 234 . 21 ARG HD3 H 3.505 0.02 2 235 . 21 ARG NE N 83.874 0.05 1 236 . 21 ARG HE H 7.004 0.02 1 237 . 21 ARG C C 172.561 0.05 1 238 . 22 ASP N N 116.51 0.05 1 239 . 22 ASP H H 7.602 0.02 1 240 . 22 ASP CA C 51.512 0.05 1 241 . 22 ASP HA H 4.694 0.02 1 242 . 22 ASP CB C 42.166 0.05 1 243 . 22 ASP HB2 H 2.719 0.02 2 244 . 22 ASP HB3 H 3.207 0.02 2 245 . 22 ASP C C 176.589 0.05 1 246 . 23 ASP N N 121.409 0.05 1 247 . 23 ASP H H 8.119 0.02 1 248 . 23 ASP CA C 58.742 0.05 1 249 . 23 ASP HA H 4.059 0.02 1 250 . 23 ASP CB C 39.181 0.05 1 251 . 23 ASP HB2 H 2.716 0.02 2 252 . 23 ASP HB3 H 3.235 0.02 2 253 . 23 ASP C C 178.173 0.05 1 254 . 24 ARG N N 117.846 0.05 1 255 . 24 ARG H H 7.624 0.02 1 256 . 24 ARG CA C 58.899 0.05 1 257 . 24 ARG HA H 4.011 0.02 1 258 . 24 ARG CB C 29.22 0.05 1 259 . 24 ARG HB2 H 1.915 0.02 1 260 . 24 ARG HB3 H 1.915 0.02 1 261 . 24 ARG CG C 26.767 0.05 1 262 . 24 ARG HG2 H 1.568 0.02 1 263 . 24 ARG HG3 H 1.568 0.02 1 264 . 24 ARG CD C 43.165 0.05 1 265 . 24 ARG HD2 H 3.196 0.02 1 266 . 24 ARG HD3 H 3.196 0.02 1 267 . 24 ARG NE N 84.988 0.05 1 268 . 24 ARG HE H 7.449 0.02 1 269 . 25 TYR CA C 61.289 0.05 1 270 . 25 TYR HA H 3.929 0.02 1 271 . 25 TYR CB C 36.586 0.05 1 272 . 25 TYR HB2 H 3.143 0.02 2 273 . 25 TYR HB3 H 3.25 0.02 2 274 . 25 TYR C C 177.075 0.05 1 275 . 26 CYS N N 116.362 0.05 1 276 . 26 CYS H H 8.03 0.02 1 277 . 26 CYS CA C 60.371 0.05 1 278 . 26 CYS HA H 3.983 0.02 1 279 . 26 CYS CB C 39.032 0.05 1 280 . 26 CYS HB2 H 3.109 0.02 2 281 . 26 CYS HB3 H 3.273 0.02 2 282 . 26 CYS C C 176.382 0.05 1 283 . 27 GLU N N 119.034 0.05 1 284 . 27 GLU H H 8.435 0.02 1 285 . 27 GLU CA C 60.049 0.05 1 286 . 27 GLU HA H 4.623 0.02 1 287 . 27 GLU CB C 29.11 0.05 1 288 . 27 GLU HB2 H 2.214 0.02 1 289 . 27 GLU HB3 H 2.214 0.02 1 290 . 27 GLU CG C 36.735 0.05 1 291 . 27 GLU HG2 H 2.723 0.02 2 292 . 27 GLU HG3 H 2.881 0.02 2 293 . 27 GLU C C 179.418 0.05 1 294 . 28 SER N N 113.393 0.05 1 295 . 28 SER H H 8.035 0.02 1 296 . 28 SER CA C 61.229 0.05 1 297 . 28 SER HA H 4.155 0.02 1 298 . 28 SER CB C 62.681 0.05 1 299 . 28 SER HB2 H 3.866 0.02 1 300 . 28 SER HB3 H 3.866 0.02 1 301 . 28 SER C C 177.222 0.05 1 302 . 29 MET N N 121.706 0.05 1 303 . 29 MET H H 8.574 0.02 1 304 . 29 MET CA C 55.562 0.05 1 305 . 29 MET HA H 4.15 0.02 1 306 . 29 MET CB C 30.129 0.05 1 307 . 29 MET HB2 H 0.863 0.02 2 308 . 29 MET HB3 H 1.133 0.02 2 309 . 29 MET CG C 31.438 0.05 1 310 . 29 MET HG2 H 1.991 0.02 1 311 . 29 MET HG3 H 1.991 0.02 1 312 . 29 MET CE C 17.167 0.05 1 313 . 29 MET HE H 1.525 0.02 1 314 . 29 MET C C 179.011 0.05 1 315 . 30 MET N N 116.065 0.05 1 316 . 30 MET H H 8.293 0.02 1 317 . 30 MET CA C 56.569 0.05 1 318 . 30 MET HA H 4.212 0.02 1 319 . 30 MET CB C 29.003 0.05 1 320 . 30 MET HB2 H 1.392 0.02 2 321 . 30 MET HB3 H 1.104 0.02 2 322 . 30 MET CG C 30.722 0.05 1 323 . 30 MET HG2 H 2.51 0.02 1 324 . 30 MET HG3 H 2.51 0.02 1 325 . 30 MET CE C 17.624 0.05 1 326 . 30 MET HE H 1.505 0.02 1 327 . 30 MET C C 178.62 0.05 1 328 . 31 LYS N N 117.252 0.05 1 329 . 31 LYS H H 6.903 0.02 1 330 . 31 LYS CA C 59.057 0.05 1 331 . 31 LYS HA H 4.155 0.02 1 332 . 31 LYS CB C 32.337 0.05 1 333 . 31 LYS HB2 H 1.939 0.02 1 334 . 31 LYS HB3 H 1.939 0.02 1 335 . 31 LYS CG C 25.101 0.05 1 336 . 31 LYS HG2 H 1.403 0.02 1 337 . 31 LYS HG3 H 1.403 0.02 1 338 . 31 LYS CD C 29.739 0.05 1 339 . 31 LYS HD2 H 1.708 0.02 1 340 . 31 LYS HD3 H 1.708 0.02 1 341 . 31 LYS CE C 42.805 0.05 1 342 . 31 LYS HE2 H 3.296 0.02 1 343 . 31 LYS HE3 H 3.296 0.02 1 344 . 31 LYS C C 180.689 0.05 1 345 . 32 GLU N N 122.893 0.05 1 346 . 32 GLU H H 8.513 0.02 1 347 . 32 GLU CA C 59.54 0.05 1 348 . 32 GLU HA H 3.977 0.02 1 349 . 32 GLU CB C 29.641 0.05 1 350 . 32 GLU HB2 H 2.12 0.02 1 351 . 32 GLU HB3 H 2.12 0.02 1 352 . 32 GLU CG C 36.735 0.05 1 353 . 32 GLU HG2 H 2.347 0.02 2 354 . 32 GLU HG3 H 2.318 0.02 2 355 . 32 GLU C C 178.626 0.05 1 356 . 33 ARG N N 113.393 0.05 1 357 . 33 ARG H H 8.084 0.02 1 358 . 33 ARG CA C 52.89 0.05 1 359 . 33 ARG HA H 4.269 0.02 1 360 . 33 ARG CB C 27.428 0.05 1 361 . 33 ARG HB2 H 1.968 0.02 1 362 . 33 ARG HB3 H 1.968 0.02 1 363 . 33 ARG CG C 26.757 0.05 1 364 . 33 ARG HG2 H 1.737 0.02 2 365 . 33 ARG HG3 H 1.546 0.02 2 366 . 33 ARG CD C 41.781 0.05 1 367 . 33 ARG HD2 H 3.033 0.02 1 368 . 33 ARG HD3 H 3.033 0.02 1 369 . 33 ARG C C 174.19 0.05 1 370 . 34 LYS N N 113.393 0.05 1 371 . 34 LYS H H 7.679 0.02 1 372 . 34 LYS CA C 56.623 0.05 1 373 . 34 LYS HA H 4.115 0.02 1 374 . 34 LYS CB C 27.539 0.05 1 375 . 34 LYS HB2 H 2.143 0.02 1 376 . 34 LYS HB3 H 2.143 0.02 1 377 . 34 LYS CG C 25.052 0.05 1 378 . 34 LYS HG2 H 1.426 0.02 2 379 . 34 LYS HG3 H 1.37 0.02 2 380 . 34 LYS CD C 29.075 0.05 1 381 . 34 LYS HD2 H 1.891 0.02 1 382 . 34 LYS HD3 H 1.891 0.02 1 383 . 34 LYS CE C 41.399 0.05 1 384 . 34 LYS HE2 H 2.516 0.02 1 385 . 34 LYS HE3 H 2.516 0.02 1 386 . 34 LYS C C 177.217 0.05 1 387 . 35 LEU N N 119.034 0.05 1 388 . 35 LEU H H 8.308 0.02 1 389 . 35 LEU CA C 53.47 0.05 1 390 . 35 LEU HA H 4.773 0.02 1 391 . 35 LEU CB C 41.256 0.05 1 392 . 35 LEU HB2 H 1.658 0.02 1 393 . 35 LEU HB3 H 1.658 0.02 1 394 . 35 LEU CG C 26.396 0.05 1 395 . 35 LEU HG H 1.409 0.02 1 396 . 35 LEU CD1 C 23.685 0.05 1 397 . 35 LEU HD1 H 0.957 0.02 1 398 . 35 LEU CD2 C 23.685 0.05 1 399 . 35 LEU HD2 H 0.957 0.02 1 400 . 35 LEU C C 175.633 0.05 1 401 . 36 THR N N 102.409 0.05 1 402 . 36 THR H H 7.18 0.02 1 403 . 36 THR CA C 60.62 0.05 1 404 . 36 THR HA H 4.578 0.02 1 405 . 36 THR CB C 69.472 0.05 1 406 . 36 THR HB H 4.162 0.02 1 407 . 36 THR CG2 C 22.39 0.05 1 408 . 36 THR HG2 H 1.093 0.02 1 409 . 36 THR C C 173.129 0.05 1 410 . 37 SER N N 114.581 0.05 1 411 . 37 SER H H 7.474 0.02 1 412 . 37 SER CA C 54 0.05 1 413 . 37 SER HA H 4.896 0.02 1 414 . 37 SER CB C 63.607 0.05 1 415 . 37 SER HB2 H 3.669 0.02 2 416 . 37 SER HB3 H 3.898 0.02 2 417 . 37 SER C C 177.14 0.05 1 418 . 38 PRO CA C 63.199 0.05 1 419 . 38 PRO HA H 4.357 0.02 1 420 . 38 PRO CB C 33.539 0.05 1 421 . 38 PRO HB2 H 2.114 0.02 2 422 . 38 PRO HB3 H 2.305 0.02 2 423 . 38 PRO CG C 24.117 0.05 1 424 . 38 PRO HG2 H 1.799 0.02 2 425 . 38 PRO HG3 H 1.9 0.02 2 426 . 38 PRO CD C 50.017 0.05 1 427 . 38 PRO HD2 H 3.642 0.02 2 428 . 38 PRO HD3 H 3.682 0.02 2 429 . 38 PRO C C 175.534 0.05 1 430 . 39 CYS N N 114.284 0.05 1 431 . 39 CYS H H 7.881 0.02 1 432 . 39 CYS CA C 55.517 0.05 1 433 . 39 CYS HA H 4.063 0.02 1 434 . 39 CYS CB C 37.404 0.05 1 435 . 39 CYS HB2 H 3.031 0.02 1 436 . 39 CYS HB3 H 3.031 0.02 1 437 . 39 CYS C C 174.978 0.05 1 438 . 40 LYS N N 128.831 0.05 1 439 . 40 LYS H H 7.873 0.02 1 440 . 40 LYS CA C 56.669 0.05 1 441 . 40 LYS HA H 4.125 0.02 1 442 . 40 LYS CB C 32.846 0.05 1 443 . 40 LYS HB2 H 1.797 0.02 1 444 . 40 LYS HB3 H 1.797 0.02 1 445 . 40 LYS CG C 25.976 0.05 1 446 . 40 LYS HG2 H 1.34 0.02 1 447 . 40 LYS HG3 H 1.34 0.02 1 448 . 40 LYS CD C 31.175 0.05 1 449 . 40 LYS HD2 H 1.672 0.02 1 450 . 40 LYS HD3 H 1.672 0.02 1 451 . 40 LYS CE C 42.344 0.05 1 452 . 40 LYS HE2 H 2.987 0.02 1 453 . 40 LYS HE3 H 2.987 0.02 1 454 . 40 LYS C C 178.672 0.05 1 455 . 41 ASP N N 126.752 0.05 1 456 . 41 ASP H H 8.656 0.02 1 457 . 41 ASP CA C 58.234 0.05 1 458 . 41 ASP HA H 4.459 0.02 1 459 . 41 ASP CB C 40.232 0.05 1 460 . 41 ASP HB2 H 2.837 0.02 2 461 . 41 ASP HB3 H 2.894 0.02 2 462 . 41 ASP C C 175.975 0.05 1 463 . 42 VAL N N 116.659 0.05 1 464 . 42 VAL H H 7.689 0.02 1 465 . 42 VAL CA C 60.51 0.05 1 466 . 42 VAL HA H 5.011 0.02 1 467 . 42 VAL CB C 34.497 0.05 1 468 . 42 VAL HB H 1.984 0.02 1 469 . 42 VAL CG2 C 22.052 0.05 2 470 . 42 VAL HG1 H 0.905 0.02 2 471 . 42 VAL CG1 C 20.327 0.05 2 472 . 42 VAL HG2 H 0.852 0.02 2 473 . 42 VAL C C 174.314 0.05 1 474 . 43 ASN N N 122.893 0.05 1 475 . 43 ASN H H 8.555 0.02 1 476 . 43 ASN CA C 54.081 0.05 1 477 . 43 ASN HA H 4.865 0.02 1 478 . 43 ASN CB C 44.674 0.05 1 479 . 43 ASN HB2 H 2.32 0.02 1 480 . 43 ASN HB3 H 2.32 0.02 1 481 . 43 ASN ND2 N 111.566 0.05 1 482 . 43 ASN HD21 H 6.829 0.02 2 483 . 43 ASN HD22 H 7.389 0.02 2 484 . 43 ASN C C 174.533 0.05 1 485 . 44 THR N N 128.985 0.05 1 486 . 44 THR H H 10.358 0.02 1 487 . 44 THR CA C 62.831 0.05 1 488 . 44 THR HA H 4.727 0.02 1 489 . 44 THR CB C 67.522 0.05 1 490 . 44 THR HB H 4.245 0.02 1 491 . 44 THR CG2 C 23.331 0.05 1 492 . 44 THR HG2 H 1.258 0.02 1 493 . 44 THR C C 173.586 0.05 1 494 . 45 PHE N N 125.862 0.05 1 495 . 45 PHE H H 9.16 0.02 1 496 . 45 PHE CA C 57.57 0.05 1 497 . 45 PHE HA H 4.274 0.02 1 498 . 45 PHE CB C 41.701 0.05 1 499 . 45 PHE HB2 H 2.94 0.02 1 500 . 45 PHE HB3 H 2.94 0.02 1 501 . 45 PHE C C 172.655 0.05 1 502 . 46 ILE N N 122.002 0.05 1 503 . 46 ILE H H 8.79 0.02 1 504 . 46 ILE CA C 60.277 0.05 1 505 . 46 ILE HA H 4.005 0.02 1 506 . 46 ILE CB C 40.305 0.05 1 507 . 46 ILE HB H 1.699 0.02 1 508 . 46 ILE CG1 C 27.116 0.05 2 509 . 46 ILE HG12 H 1.256 0.02 1 510 . 46 ILE HG13 H 1.462 0.02 1 511 . 46 ILE CD1 C 15.561 0.05 1 512 . 46 ILE HD1 H 0.75 0.02 1 513 . 46 ILE CG2 C 19.704 0.05 2 514 . 46 ILE HG2 H 1.02 0.02 1 515 . 46 ILE C C 174.716 0.05 1 516 . 47 HIS N N 125.268 0.05 1 517 . 47 HIS H H 8.276 0.02 1 518 . 47 HIS CA C 51.924 0.05 1 519 . 47 HIS HA H 5.581 0.02 1 520 . 47 HIS CB C 28.421 0.05 1 521 . 47 HIS HB2 H 3.058 0.02 2 522 . 47 HIS HB3 H 3.136 0.02 2 523 . 47 HIS C C 175.396 0.05 1 524 . 48 GLY N N 108.346 0.05 1 525 . 48 GLY H H 8.029 0.02 1 526 . 48 GLY CA C 44.135 0.05 1 527 . 48 GLY HA2 H 4.617 0.02 2 528 . 48 GLY HA3 H 4.304 0.02 2 529 . 48 GLY C C 173.524 0.05 1 530 . 49 THR N N 112.503 0.05 1 531 . 49 THR H H 8.589 0.02 1 532 . 49 THR CA C 60.701 0.05 1 533 . 49 THR HA H 4.807 0.02 1 534 . 49 THR CB C 70.163 0.05 1 535 . 49 THR HB H 3.964 0.02 1 536 . 49 THR CG2 C 22.413 0.05 1 537 . 49 THR HG2 H 1.166 0.02 1 538 . 49 THR C C 176.121 0.05 1 539 . 50 LYS N N 124.081 0.05 1 540 . 50 LYS H H 8.847 0.02 1 541 . 50 LYS CA C 60.551 0.05 1 542 . 50 LYS HA H 4.587 0.02 1 543 . 50 LYS CB C 31.463 0.05 1 544 . 50 LYS HB2 H 1.924 0.02 2 545 . 50 LYS HB3 H 1.933 0.02 2 546 . 50 LYS CG C 25.435 0.05 1 547 . 50 LYS HG2 H 1.392 0.02 2 548 . 50 LYS HG3 H 1.506 0.02 2 549 . 50 LYS CD C 29.774 0.05 1 550 . 50 LYS HD2 H 1.716 0.02 1 551 . 50 LYS HD3 H 1.716 0.02 1 552 . 50 LYS CE C 39.461 0.05 1 553 . 50 LYS HE2 H 3.032 0.02 1 554 . 50 LYS HE3 H 3.032 0.02 1 555 . 50 LYS C C 179.902 0.05 1 556 . 51 LYS N N 119.034 0.05 1 557 . 51 LYS H H 8.442 0.02 1 558 . 51 LYS CA C 60.367 0.05 1 559 . 51 LYS HA H 3.893 0.02 1 560 . 51 LYS CB C 31.856 0.05 1 561 . 51 LYS HB2 H 1.884 0.02 1 562 . 51 LYS HB3 H 1.884 0.02 1 563 . 51 LYS CG C 24.99 0.05 1 564 . 51 LYS HG2 H 1.454 0.02 1 565 . 51 LYS HG3 H 1.454 0.02 1 566 . 51 LYS CD C 29.574 0.05 1 567 . 51 LYS HD2 H 1.69 0.02 1 568 . 51 LYS HD3 H 1.69 0.02 1 569 . 51 LYS CE C 42.162 0.05 1 570 . 51 LYS HE2 H 2.881 0.02 1 571 . 51 LYS HE3 H 2.881 0.02 1 572 . 51 LYS C C 178.877 0.05 1 573 . 52 ASN N N 117.549 0.05 1 574 . 52 ASN H H 7.558 0.02 1 575 . 52 ASN CA C 55.016 0.05 1 576 . 52 ASN HA H 4.61 0.02 1 577 . 52 ASN CB C 36.922 0.05 1 578 . 52 ASN HB2 H 3.101 0.02 2 579 . 52 ASN HB3 H 3.085 0.02 2 580 . 52 ASN C C 177.622 0.05 1 581 . 53 ILE N N 119.924 0.05 1 582 . 53 ILE H H 7.726 0.02 1 583 . 53 ILE CA C 64.446 0.05 1 584 . 53 ILE HA H 3.744 0.02 1 585 . 53 ILE CB C 37.975 0.05 1 586 . 53 ILE HB H 1.873 0.02 1 587 . 53 ILE CG1 C 29.744 0.05 2 588 . 53 ILE HG12 H 1.686 0.02 1 589 . 53 ILE HG13 H 1.495 0.02 1 590 . 53 ILE CD1 C 15.501 0.05 1 591 . 53 ILE HD1 H 0.739 0.02 1 592 . 53 ILE CG2 C 17.802 0.05 2 593 . 53 ILE HG2 H 0.595 0.02 1 594 . 53 ILE C C 177.904 0.05 1 595 . 54 ARG N N 117.549 0.05 1 596 . 54 ARG H H 7.967 0.02 1 597 . 54 ARG CA C 59.289 0.05 1 598 . 54 ARG HA H 3.526 0.02 1 599 . 54 ARG CB C 28.859 0.05 1 600 . 54 ARG HB2 H 1.702 0.02 1 601 . 54 ARG HB3 H 1.702 0.02 1 602 . 54 ARG CG C 29.562 0.05 1 603 . 54 ARG HG2 H 1.551 0.02 1 604 . 54 ARG HG3 H 1.551 0.02 1 605 . 54 ARG CD C 43.73 0.05 1 606 . 54 ARG HD2 H 3.199 0.02 2 607 . 54 ARG HD3 H 3.263 0.02 2 608 . 54 ARG C C 178.619 0.05 1 609 . 55 ALA N N 118.143 0.05 1 610 . 55 ALA H H 7.549 0.02 1 611 . 55 ALA CA C 53.832 0.05 1 612 . 55 ALA HA H 4.109 0.02 1 613 . 55 ALA CB C 17.834 0.05 1 614 . 55 ALA HB H 1.501 0.02 1 615 . 55 ALA C C 179.723 0.05 1 616 . 56 ILE N N 122.299 0.05 1 617 . 56 ILE H H 7.603 0.02 1 618 . 56 ILE CA C 64.234 0.05 1 619 . 56 ILE HA H 3.228 0.02 1 620 . 56 ILE CB C 37.438 0.05 1 621 . 56 ILE HB H 1.802 0.02 1 622 . 56 ILE CG1 C 28.517 0.05 2 623 . 56 ILE HG12 H 1.499 0.02 1 624 . 56 ILE HG13 H 1.675 0.02 1 625 . 56 ILE CD1 C 15.483 0.05 1 626 . 56 ILE HD1 H 0.74 0.02 1 627 . 56 ILE CG2 C 17.669 0.05 2 628 . 56 ILE HG2 H 0.568 0.02 1 629 . 56 ILE C C 177.356 0.05 1 630 . 57 CYS N N 113.987 0.05 1 631 . 57 CYS H H 7.417 0.02 1 632 . 57 CYS CA C 53.522 0.05 1 633 . 57 CYS HA H 4.194 0.02 1 634 . 57 CYS CB C 37.974 0.05 1 635 . 57 CYS HB2 H 2.78 0.02 2 636 . 57 CYS HB3 H 2.775 0.02 2 637 . 57 CYS C C 174.29 0.05 1 638 . 58 GLY N N 110.128 0.05 1 639 . 58 GLY H H 7.323 0.02 1 640 . 58 GLY CA C 44.635 0.05 1 641 . 58 GLY HA2 H 4.293 0.02 2 642 . 58 GLY HA3 H 3.509 0.02 2 643 . 58 GLY C C 174.827 0.05 1 644 . 59 LYS N N 124.336 0.05 1 645 . 59 LYS H H 8.659 0.02 1 646 . 59 LYS CA C 58.106 0.05 1 647 . 59 LYS HA H 5.358 0.02 1 648 . 59 LYS CB C 32.396 0.05 1 649 . 59 LYS HB2 H 1.955 0.02 1 650 . 59 LYS HB3 H 1.955 0.02 1 651 . 59 LYS CG C 25.248 0.05 1 652 . 59 LYS HG2 H 1.514 0.02 2 653 . 59 LYS HG3 H 1.403 0.02 2 654 . 59 LYS CD C 29.079 0.05 1 655 . 59 LYS HD2 H 1.725 0.02 2 656 . 59 LYS HD3 H 1.948 0.02 2 657 . 59 LYS CE C 42.149 0.05 1 658 . 59 LYS HE2 H 3.298 0.02 2 659 . 59 LYS HE3 H 3.268 0.02 2 660 . 59 LYS C C 177.172 0.05 1 661 . 60 LYS N N 115.174 0.05 1 662 . 60 LYS H H 7.608 0.02 1 663 . 60 LYS CA C 54.592 0.05 1 664 . 60 LYS HA H 4.722 0.02 1 665 . 60 LYS CB C 30.376 0.05 1 666 . 60 LYS HB2 H 2.141 0.02 1 667 . 60 LYS HB3 H 2.141 0.02 1 668 . 60 LYS CG C 25.41 0.05 1 669 . 60 LYS HG2 H 1.271 0.02 2 670 . 60 LYS HG3 H 1.468 0.02 2 671 . 60 LYS CD C 28.624 0.05 1 672 . 60 LYS HD2 H 1.671 0.02 2 673 . 60 LYS HD3 H 1.931 0.02 2 674 . 60 LYS CE C 42.344 0.05 1 675 . 60 LYS HE2 H 3.253 0.02 1 676 . 60 LYS HE3 H 3.253 0.02 1 677 . 60 LYS C C 175.144 0.05 1 678 . 61 GLY N N 109.534 0.05 1 679 . 61 GLY H H 7.51 0.02 1 680 . 61 GLY CA C 44.31 0.05 1 681 . 61 GLY HA2 H 4.203 0.02 2 682 . 61 GLY HA3 H 4.93 0.02 2 683 . 61 GLY C C 172.321 0.05 1 684 . 62 SER N N 112.799 0.05 1 685 . 62 SER H H 8.698 0.02 1 686 . 62 SER CA C 56.133 0.05 1 687 . 62 SER HA H 5.081 0.02 1 688 . 62 SER CB C 64.667 0.05 1 689 . 62 SER HB2 H 3.908 0.02 2 690 . 62 SER HB3 H 3.567 0.02 2 691 . 62 SER C C 170.935 0.05 1 692 . 63 PRO CA C 64.292 0.05 1 693 . 63 PRO HA H 4.481 0.02 1 694 . 63 PRO CB C 31.903 0.05 1 695 . 63 PRO HB2 H 1.863 0.02 2 696 . 63 PRO HB3 H 2.01 0.02 2 697 . 63 PRO CG C 28.162 0.05 1 698 . 63 PRO HG2 H 2.189 0.02 2 699 . 63 PRO HG3 H 1.949 0.02 2 700 . 63 PRO CD C 51.171 0.05 1 701 . 63 PRO HD2 H 3.821 0.02 2 702 . 63 PRO HD3 H 3.775 0.02 2 703 . 63 PRO C C 175.452 0.05 1 704 . 64 TYR N N 126.159 0.05 1 705 . 64 TYR H H 8.144 0.02 1 706 . 64 TYR CA C 57.509 0.05 1 707 . 64 TYR HA H 4.482 0.02 1 708 . 64 TYR CB C 40.867 0.05 1 709 . 64 TYR HB2 H 2.573 0.02 2 710 . 64 TYR HB3 H 2.435 0.02 2 711 . 64 TYR C C 174.475 0.05 1 712 . 65 GLY N N 112.503 0.05 1 713 . 65 GLY H H 7.809 0.02 1 714 . 65 GLY CA C 44.777 0.05 1 715 . 65 GLY HA2 H 3.487 0.02 2 716 . 65 GLY HA3 H 3.814 0.02 2 717 . 65 GLY C C 174.113 0.05 1 718 . 66 GLU N N 121.112 0.05 1 719 . 66 GLU H H 8.424 0.02 1 720 . 66 GLU CA C 57.538 0.05 1 721 . 66 GLU HA H 4.097 0.02 1 722 . 66 GLU CB C 28.847 0.05 1 723 . 66 GLU HB2 H 1.916 0.02 1 724 . 66 GLU HB3 H 1.916 0.02 1 725 . 66 GLU CG C 36.07 0.05 1 726 . 66 GLU HG2 H 2.187 0.02 1 727 . 66 GLU HG3 H 2.187 0.02 1 728 . 66 GLU C C 177.253 0.05 1 729 . 67 ASN N N 114.284 0.05 1 730 . 67 ASN H H 8.111 0.02 1 731 . 67 ASN CA C 53.446 0.05 1 732 . 67 ASN HA H 4.76 0.02 1 733 . 67 ASN CB C 38.596 0.05 1 734 . 67 ASN HB2 H 2.514 0.02 2 735 . 67 ASN HB3 H 2.695 0.02 2 736 . 67 ASN ND2 N 111.512 0.05 1 737 . 67 ASN HD21 H 6.659 0.02 2 738 . 67 ASN HD22 H 6.464 0.02 2 739 . 67 ASN C C 175.111 0.05 1 740 . 68 PHE N N 117.846 0.05 1 741 . 68 PHE H H 7.73 0.02 1 742 . 68 PHE CA C 55.94 0.05 1 743 . 68 PHE HA H 5.286 0.02 1 744 . 68 PHE CB C 41.448 0.05 1 745 . 68 PHE HB2 H 3.24 0.02 2 746 . 68 PHE HB3 H 3.341 0.02 2 747 . 68 PHE C C 175.919 0.05 1 748 . 69 ARG N N 121.409 0.05 1 749 . 69 ARG H H 9.42 0.02 1 750 . 69 ARG CA C 53.889 0.05 1 751 . 69 ARG HA H 5.036 0.02 1 752 . 69 ARG CB C 33.791 0.05 1 753 . 69 ARG HB2 H 1.566 0.02 1 754 . 69 ARG HB3 H 1.566 0.02 1 755 . 69 ARG CG C 27.227 0.05 1 756 . 69 ARG HG2 H 1.308 0.02 1 757 . 69 ARG HG3 H 1.308 0.02 1 758 . 69 ARG CD C 43.317 0.05 1 759 . 69 ARG HD2 H 3.168 0.02 2 760 . 69 ARG HD3 H 3.287 0.02 2 761 . 69 ARG NE N 85.027 0.05 1 762 . 69 ARG HE H 7.618 0.02 1 763 . 69 ARG C C 173.372 0.05 1 764 . 70 ILE N N 120.518 0.05 1 765 . 70 ILE H H 9.046 0.02 1 766 . 70 ILE CA C 56.713 0.05 1 767 . 70 ILE HA H 5.141 0.02 1 768 . 70 ILE CB C 40.769 0.05 1 769 . 70 ILE HB H 1.703 0.02 1 770 . 70 ILE CG1 C 28.115 0.05 2 771 . 70 ILE HG12 H 1.443 0.02 1 772 . 70 ILE HG13 H 1.443 0.02 1 773 . 70 ILE CD1 C 14.556 0.05 1 774 . 70 ILE HD1 H 0.739 0.02 1 775 . 70 ILE CG2 C 16.949 0.05 1 776 . 70 ILE HG2 H 0.99 0.02 1 777 . 70 ILE C C 174.66 0.05 1 778 . 71 SER N N 121.706 0.05 1 779 . 71 SER H H 8.925 0.02 1 780 . 71 SER CA C 59.227 0.05 1 781 . 71 SER HA H 4.342 0.02 1 782 . 71 SER CB C 65.094 0.05 1 783 . 71 SER HB2 H 4.009 0.02 1 784 . 71 SER HB3 H 4.009 0.02 1 785 . 71 SER C C 173.163 0.05 1 786 . 72 ASN N N 116.956 0.05 1 787 . 72 ASN H H 8.104 0.02 1 788 . 72 ASN CA C 52.866 0.05 1 789 . 72 ASN HA H 4.678 0.02 1 790 . 72 ASN CB C 37.574 0.05 1 791 . 72 ASN HB2 H 2.956 0.02 2 792 . 72 ASN HB3 H 2.728 0.02 2 793 . 72 ASN ND2 N 112.245 0.05 1 794 . 72 ASN HD21 H 6.734 0.02 2 795 . 72 ASN HD22 H 7.284 0.02 2 796 . 72 ASN C C 175.641 0.05 1 797 . 73 SER N N 113.591 0.05 1 798 . 73 SER H H 8.02 0.02 1 799 . 73 SER CA C 55.622 0.05 1 800 . 73 SER HA H 5 0.02 1 801 . 73 SER CB C 64.208 0.05 1 802 . 73 SER HB2 H 3.581 0.02 2 803 . 73 SER HB3 H 3.793 0.02 2 804 . 73 SER C C 174.154 0.05 1 805 . 74 PRO CA C 61.328 0.05 1 806 . 74 PRO HA H 4.29 0.02 1 807 . 74 PRO CB C 29.11 0.05 1 808 . 74 PRO CG C 27.377 0.05 1 809 . 74 PRO CD C 50.247 0.05 1 810 . 74 PRO C C 177.787 0.05 1 811 . 75 PHE N N 119.924 0.05 1 812 . 75 PHE H H 8.464 0.02 1 813 . 75 PHE CA C 56.285 0.05 1 814 . 75 PHE HA H 4.568 0.02 1 815 . 75 PHE CB C 42.694 0.05 1 816 . 75 PHE HB2 H 2.762 0.02 1 817 . 75 PHE HB3 H 2.762 0.02 1 818 . 75 PHE C C 176.072 0.05 1 819 . 76 GLN N N 120.221 0.05 1 820 . 76 GLN H H 9.1 0.02 1 821 . 76 GLN CA C 57.074 0.05 1 822 . 76 GLN HA H 4.938 0.02 1 823 . 76 GLN CB C 28.352 0.05 1 824 . 76 GLN HB2 H 2.213 0.02 1 825 . 76 GLN HB3 H 2.213 0.02 1 826 . 76 GLN CG C 32.991 0.05 1 827 . 76 GLN HG2 H 2.526 0.02 2 828 . 76 GLN HG3 H 2.663 0.02 2 829 . 76 GLN NE2 N 111.728 0.05 1 830 . 76 GLN HE21 H 7.51 0.02 2 831 . 76 GLN HE22 H 6.698 0.02 2 832 . 76 GLN C C 174.998 0.05 1 833 . 77 ILE N N 115.768 0.05 1 834 . 77 ILE H H 8.585 0.02 1 835 . 77 ILE CA C 58.715 0.05 1 836 . 77 ILE HA H 5.248 0.02 1 837 . 77 ILE CB C 43.085 0.05 1 838 . 77 ILE HB H 1.464 0.02 1 839 . 77 ILE CG1 C 25.452 0.05 2 840 . 77 ILE HG12 H 1.009 0.02 1 841 . 77 ILE HG13 H 1.009 0.02 1 842 . 77 ILE CD1 C 14.525 0.05 1 843 . 77 ILE HD1 H 0.844 0.02 1 844 . 77 ILE CG2 C 18.993 0.05 1 845 . 77 ILE HG2 H 0.807 0.02 1 846 . 77 ILE C C 177.227 0.05 1 847 . 78 THR N N 122.002 0.05 1 848 . 78 THR H H 9.203 0.02 1 849 . 78 THR CA C 63.581 0.05 1 850 . 78 THR HA H 4.901 0.02 1 851 . 78 THR CB C 69.954 0.05 1 852 . 78 THR HB H 4.263 0.02 1 853 . 78 THR CG2 C 22.354 0.05 1 854 . 78 THR HG2 H 1.083 0.02 1 855 . 78 THR C C 173.68 0.05 1 856 . 79 THR N N 125.862 0.05 1 857 . 79 THR H H 9.25 0.02 1 858 . 79 THR CA C 63.269 0.05 1 859 . 79 THR HA H 4.765 0.02 1 860 . 79 THR CB C 70.119 0.05 1 861 . 79 THR HB H 3.961 0.02 1 862 . 79 THR CG2 C 23.047 0.05 1 863 . 79 THR HG2 H 1.147 0.02 1 864 . 79 THR C C 173.862 0.05 1 865 . 80 CYS N N 127.346 0.05 1 866 . 80 CYS H H 8.911 0.02 1 867 . 80 CYS CA C 52.343 0.05 1 868 . 80 CYS HA H 5.7 0.02 1 869 . 80 CYS CB C 38.448 0.05 1 870 . 80 CYS HB2 H 2.601 0.02 2 871 . 80 CYS HB3 H 3.062 0.02 2 872 . 80 CYS C C 174.245 0.05 1 873 . 81 THR N N 119.034 0.05 1 874 . 81 THR H H 9.402 0.02 1 875 . 81 THR CA C 61.157 0.05 1 876 . 81 THR HA H 5.27 0.02 1 877 . 81 THR CB C 70.333 0.05 1 878 . 81 THR HB H 4.129 0.02 1 879 . 81 THR CG2 C 21.99 0.05 1 880 . 81 THR HG2 H 1.251 0.02 1 881 . 81 THR C C 174.065 0.05 1 882 . 82 HIS N N 128.534 0.05 1 883 . 82 HIS H H 9.566 0.02 1 884 . 82 HIS CA C 54.007 0.05 1 885 . 82 HIS HA H 4.484 0.02 1 886 . 82 HIS CB C 29.298 0.05 1 887 . 82 HIS HB2 H 3.094 0.02 2 888 . 82 HIS HB3 H 3.188 0.02 2 889 . 82 HIS C C 173.894 0.05 1 890 . 83 SER N N 123.19 0.05 1 891 . 83 SER H H 7.878 0.02 1 892 . 83 SER CA C 58.599 0.05 1 893 . 83 SER HA H 4.24 0.02 1 894 . 83 SER CB C 63.563 0.05 1 895 . 83 SER HB2 H 3.59 0.02 2 896 . 83 SER HB3 H 3.693 0.02 2 897 . 83 SER C C 173.711 0.05 1 898 . 84 ARG N N 120.815 0.05 1 899 . 84 ARG H H 7.407 0.02 1 900 . 84 ARG CA C 56.142 0.05 1 901 . 84 ARG HA H 3.986 0.02 1 902 . 84 ARG CB C 30.303 0.05 1 903 . 84 ARG HB2 H 1.687 0.02 1 904 . 84 ARG HB3 H 1.687 0.02 1 905 . 84 ARG CG C 27.331 0.05 1 906 . 84 ARG HG2 H 1.564 0.02 2 907 . 84 ARG HG3 H 1.496 0.02 2 908 . 84 ARG CD C 43.273 0.05 1 909 . 84 ARG HD2 H 3.168 0.02 2 910 . 84 ARG HD3 H 3.106 0.02 2 911 . 84 ARG NE N 83.622 0.05 1 912 . 84 ARG HE H 7.398 0.02 1 913 . 84 ARG C C 176.278 0.05 1 914 . 85 GLY N N 108.94 0.05 1 915 . 85 GLY H H 8.127 0.02 1 916 . 85 GLY CA C 45.257 0.05 1 917 . 85 GLY HA2 H 3.817 0.02 2 918 . 85 GLY HA3 H 3.995 0.02 2 919 . 85 GLY C C 174.009 0.05 1 920 . 86 SER N N 116.362 0.05 1 921 . 86 SER H H 7.842 0.02 1 922 . 86 SER CA C 55.114 0.05 1 923 . 86 SER HA H 4.778 0.02 1 924 . 86 SER CB C 63.787 0.05 1 925 . 86 SER HB2 H 3.713 0.02 2 926 . 86 SER HB3 H 3.933 0.02 2 927 . 87 PRO CA C 63.451 0.05 1 928 . 87 PRO CB C 31.31 0.05 1 929 . 87 PRO CG C 26.647 0.05 1 930 . 87 PRO CD C 50.85 0.05 1 931 . 87 PRO C C 175.005 0.05 1 932 . 88 TRP N N 117.549 0.05 1 933 . 88 TRP H H 7.253 0.02 1 934 . 88 TRP CA C 53.82 0.05 1 935 . 88 TRP HA H 5.088 0.02 1 936 . 88 TRP CB C 29.262 0.05 1 937 . 88 TRP HB2 H 3.57 0.02 2 938 . 88 TRP HB3 H 2.875 0.02 2 939 . 88 TRP HD1 H 7.196 0.02 1 940 . 88 TRP NE1 N 128.81 0.05 1 941 . 88 TRP HE1 H 10.125 0.02 1 942 . 88 TRP C C 173.434 0.05 1 943 . 90 PRO CA C 62.206 0.05 1 944 . 90 PRO CB C 33.821 0.05 1 945 . 90 PRO CG C 25.448 0.05 1 946 . 90 PRO C C 177.246 0.05 1 947 . 91 CYS N N 123.932 0.05 1 948 . 91 CYS H H 9.442 0.02 1 949 . 91 CYS CA C 54.673 0.05 1 950 . 91 CYS HA H 4.482 0.02 1 951 . 91 CYS CB C 41.326 0.05 1 952 . 91 CYS HB2 H 2.582 0.02 2 953 . 91 CYS HB3 H 2.795 0.02 2 954 . 91 CYS C C 175.252 0.05 1 955 . 92 GLY N N 112.799 0.05 1 956 . 92 GLY H H 8.86 0.02 1 957 . 92 GLY CA C 46.045 0.05 1 958 . 92 GLY HA2 H 4.158 0.02 2 959 . 92 GLY HA3 H 3.624 0.02 2 960 . 92 GLY C C 174.983 0.05 1 961 . 93 TYR N N 119.034 0.05 1 962 . 93 TYR H H 8.635 0.02 1 963 . 93 TYR CA C 60.222 0.05 1 964 . 93 TYR HA H 4.738 0.02 1 965 . 93 TYR CB C 42.371 0.05 1 966 . 93 TYR HB2 H 2.575 0.02 2 967 . 93 TYR HB3 H 2.31 0.02 2 968 . 93 TYR C C 175.46 0.05 1 969 . 94 ARG N N 118.737 0.05 1 970 . 94 ARG H H 8.754 0.02 1 971 . 94 ARG CA C 52.948 0.05 1 972 . 94 ARG HA H 4.771 0.02 1 973 . 94 ARG CB C 32.376 0.05 1 974 . 94 ARG HB2 H 1.776 0.02 1 975 . 94 ARG HB3 H 1.776 0.02 1 976 . 94 ARG CG C 27.092 0.05 1 977 . 94 ARG HG2 H 1.593 0.02 1 978 . 94 ARG HG3 H 1.593 0.02 1 979 . 94 ARG CD C 43.427 0.05 1 980 . 94 ARG HD2 H 3.22 0.02 1 981 . 94 ARG HD3 H 3.22 0.02 1 982 . 94 ARG NE N 83.608 0.05 1 983 . 94 ARG HE H 7.252 0.02 1 984 . 94 ARG C C 175.804 0.05 1 985 . 95 ALA N N 125.268 0.05 1 986 . 95 ALA H H 8.642 0.02 1 987 . 95 ALA CA C 50.924 0.05 1 988 . 95 ALA HA H 5.383 0.02 1 989 . 95 ALA CB C 22.511 0.05 1 990 . 95 ALA HB H 1.253 0.02 1 991 . 95 ALA C C 178.107 0.05 1 992 . 96 PHE N N 122.002 0.05 1 993 . 96 PHE H H 9.066 0.02 1 994 . 96 PHE CA C 57.569 0.05 1 995 . 96 PHE HA H 4.865 0.02 1 996 . 96 PHE CB C 41.211 0.05 1 997 . 96 PHE HB2 H 3.05 0.02 2 998 . 96 PHE HB3 H 3.255 0.02 2 999 . 96 PHE C C 175.24 0.05 1 1000 . 97 LYS N N 128.534 0.05 1 1001 . 97 LYS H H 8.589 0.02 1 1002 . 97 LYS CA C 55.054 0.05 1 1003 . 97 LYS HA H 5.071 0.02 1 1004 . 97 LYS CB C 33.469 0.05 1 1005 . 97 LYS HB2 H 1.833 0.02 1 1006 . 97 LYS HB3 H 1.833 0.02 1 1007 . 97 LYS CG C 24.245 0.05 1 1008 . 97 LYS HG2 H 1.495 0.02 1 1009 . 97 LYS HG3 H 1.495 0.02 1 1010 . 97 LYS CD C 29.653 0.05 1 1011 . 97 LYS HD2 H 1.73 0.02 1 1012 . 97 LYS HD3 H 1.73 0.02 1 1013 . 97 LYS CE C 41.708 0.05 1 1014 . 97 LYS HE2 H 3.079 0.02 2 1015 . 97 LYS HE3 H 2.999 0.02 2 1016 . 97 LYS C C 174.388 0.05 1 1017 . 98 ASP N N 120.518 0.05 1 1018 . 98 ASP H H 8.629 0.02 1 1019 . 98 ASP CA C 52.524 0.05 1 1020 . 98 ASP HA H 4.875 0.02 1 1021 . 98 ASP CB C 45.525 0.05 1 1022 . 98 ASP HB2 H 2.464 0.02 2 1023 . 98 ASP HB3 H 2.622 0.02 2 1024 . 98 ASP C C 174.131 0.05 1 1025 . 99 PHE N N 123.784 0.05 1 1026 . 99 PHE H H 9.302 0.02 1 1027 . 99 PHE CA C 54.972 0.05 1 1028 . 99 PHE HA H 5.585 0.02 1 1029 . 99 PHE CB C 39.555 0.05 1 1030 . 99 PHE HB2 H 2.846 0.02 2 1031 . 99 PHE HB3 H 3.042 0.02 2 1032 . 99 PHE C C 174.432 0.05 1 1033 . 100 ARG N N 120.221 0.05 1 1034 . 100 ARG H H 8.363 0.02 1 1035 . 100 ARG CA C 53.957 0.05 1 1036 . 100 ARG HA H 4.635 0.02 1 1037 . 100 ARG CB C 32.87 0.05 1 1038 . 100 ARG HB2 H 1.99 0.02 1 1039 . 100 ARG HB3 H 1.99 0.02 1 1040 . 100 ARG CG C 25.332 0.05 1 1041 . 100 ARG HG2 H 1.635 0.02 1 1042 . 100 ARG HG3 H 1.635 0.02 1 1043 . 100 ARG CD C 43.607 0.05 1 1044 . 100 ARG HD2 H 3.239 0.02 1 1045 . 100 ARG HD3 H 3.239 0.02 1 1046 . 100 ARG C C 175.769 0.05 1 1047 . 101 TYR N N 120.518 0.05 1 1048 . 101 TYR H H 7.627 0.02 1 1049 . 101 TYR CA C 59.398 0.05 1 1050 . 101 TYR HA H 4.154 0.02 1 1051 . 101 TYR CB C 37.137 0.05 1 1052 . 101 TYR HB2 H 2.767 0.02 1 1053 . 101 TYR HB3 H 2.767 0.02 1 1054 . 101 TYR C C 175.057 0.05 1 1055 . 102 ILE N N 111.612 0.05 1 1056 . 102 ILE H H 8.102 0.02 1 1057 . 102 ILE CA C 59.178 0.05 1 1058 . 102 ILE HA H 4.626 0.02 1 1059 . 102 ILE CB C 41.618 0.05 1 1060 . 102 ILE HB H 1.641 0.02 1 1061 . 102 ILE CG1 C 23.956 0.05 2 1062 . 102 ILE HG12 H 1.288 0.02 1 1063 . 102 ILE HG13 H 0.966 0.02 1 1064 . 102 ILE CD1 C 13.594 0.05 1 1065 . 102 ILE HD1 H 0.266 0.02 1 1066 . 102 ILE CG2 C 18.212 0.05 2 1067 . 102 ILE HG2 H 1.019 0.02 1 1068 . 102 ILE C C 172.716 0.05 1 1069 . 103 VAL N N 121.706 0.05 1 1070 . 103 VAL H H 7.787 0.02 1 1071 . 103 VAL CA C 60.566 0.05 1 1072 . 103 VAL HA H 4.772 0.02 1 1073 . 103 VAL CB C 32.936 0.05 1 1074 . 103 VAL HB H 1.139 0.02 1 1075 . 103 VAL CG2 C 22.84 0.05 2 1076 . 103 VAL HG1 H 0.478 0.02 2 1077 . 103 VAL CG1 C 19.231 0.05 1 1078 . 103 VAL HG2 H -0.648 0.02 2 1079 . 103 VAL C C 175.235 0.05 1 1080 . 104 ILE N N 118.143 0.05 1 1081 . 104 ILE H H 8.532 0.02 1 1082 . 104 ILE CA C 57.59 0.05 1 1083 . 104 ILE HA H 4.919 0.02 1 1084 . 104 ILE CB C 42.61 0.05 1 1085 . 104 ILE HB H 2.064 0.02 1 1086 . 104 ILE CG1 C 33.052 0.05 2 1087 . 104 ILE HG12 H 1.075 0.02 1 1088 . 104 ILE HG13 H 1.075 0.02 1 1089 . 104 ILE CD1 C 16.159 0.05 1 1090 . 104 ILE HD1 H 0.5 0.02 1 1091 . 104 ILE CG2 C 17.662 0.05 2 1092 . 104 ILE HG2 H 0.789 0.02 1 1093 . 104 ILE C C 174.145 0.05 1 1094 . 105 ALA N N 119.924 0.05 1 1095 . 105 ALA H H 8.449 0.02 1 1096 . 105 ALA CA C 50.133 0.05 1 1097 . 105 ALA HA H 4.933 0.02 1 1098 . 105 ALA CB C 21.932 0.05 1 1099 . 105 ALA HB H 1.268 0.02 1 1100 . 105 ALA C C 176.932 0.05 1 1101 . 106 CYS N N 119.627 0.05 1 1102 . 106 CYS H H 8.949 0.02 1 1103 . 106 CYS CA C 55.57 0.05 1 1104 . 106 CYS HA H 5.477 0.02 1 1105 . 106 CYS CB C 49.007 0.05 1 1106 . 106 CYS HB2 H 2.42 0.02 2 1107 . 106 CYS HB3 H 3.237 0.02 2 1108 . 106 CYS C C 173.703 0.05 1 1109 . 107 GLU N N 122.596 0.05 1 1110 . 107 GLU H H 9.081 0.02 1 1111 . 107 GLU CA C 55.813 0.05 1 1112 . 107 GLU HA H 4.496 0.02 1 1113 . 107 GLU CB C 32.706 0.05 1 1114 . 107 GLU HB2 H 1.985 0.02 2 1115 . 107 GLU HB3 H 1.8 0.02 2 1116 . 107 GLU CG C 36.533 0.05 1 1117 . 107 GLU HG2 H 2.138 0.02 1 1118 . 107 GLU HG3 H 2.138 0.02 1 1119 . 107 GLU C C 175.947 0.05 1 1120 . 108 ASP N N 127.049 0.05 1 1121 . 108 ASP H H 9.272 0.02 1 1122 . 108 ASP CA C 55.435 0.05 1 1123 . 108 ASP HA H 4.26 0.02 1 1124 . 108 ASP CB C 44.945 0.05 1 1125 . 108 ASP HB2 H 3.121 0.02 2 1126 . 108 ASP HB3 H 2.703 0.02 2 1127 . 108 ASP C C 174.909 0.05 1 1128 . 109 GLY N N 101.221 0.05 1 1129 . 109 GLY H H 8.426 0.02 1 1130 . 109 GLY CA C 44.614 0.05 1 1131 . 109 GLY HA2 H 3.785 0.02 2 1132 . 109 GLY HA3 H 3.157 0.02 2 1133 . 109 GLY C C 173.706 0.05 1 1134 . 110 TRP N N 120.221 0.05 1 1135 . 110 TRP H H 7.845 0.02 1 1136 . 110 TRP CA C 53.191 0.05 1 1137 . 110 TRP HA H 4.619 0.02 1 1138 . 110 TRP CB C 29.352 0.05 1 1139 . 110 TRP HB2 H 2.608 0.02 2 1140 . 110 TRP HB3 H 2.933 0.02 2 1141 . 110 TRP HD1 H 7.078 0.02 1 1142 . 110 TRP NE1 N 129.28 0.05 1 1143 . 110 TRP HE1 H 9.964 0.02 1 1144 . 110 TRP C C 174.13 0.05 1 1145 . 111 PRO CA C 62.351 0.05 1 1146 . 111 PRO HA H 4.358 0.02 1 1147 . 111 PRO CB C 31.015 0.05 1 1148 . 111 PRO HB2 H 2.281 0.02 2 1149 . 111 PRO HB3 H 2.148 0.02 2 1150 . 111 PRO CG C 27.743 0.05 1 1151 . 111 PRO HG2 H 1.927 0.02 1 1152 . 111 PRO HG3 H 1.927 0.02 1 1153 . 111 PRO CD C 50.613 0.05 1 1154 . 111 PRO HD2 H 3.655 0.02 1 1155 . 111 PRO HD3 H 3.655 0.02 1 1156 . 111 PRO C C 175.41 0.05 1 1157 . 112 VAL N N 108.346 0.05 1 1158 . 112 VAL H H 8.444 0.02 1 1159 . 112 VAL CA C 60.703 0.05 1 1160 . 112 VAL HA H 4.666 0.02 1 1161 . 112 VAL CB C 34.976 0.05 1 1162 . 112 VAL HB H 2.161 0.02 1 1163 . 112 VAL CG2 C 18.409 0.05 2 1164 . 112 VAL HG1 H 0.842 0.02 2 1165 . 112 VAL CG1 C 22.98 0.05 2 1166 . 112 VAL HG2 H 0.924 0.02 2 1167 . 112 VAL C C 176.523 0.05 1 1168 . 113 HIS N N 118.737 0.05 1 1169 . 113 HIS H H 7.494 0.02 1 1170 . 113 HIS CA C 55.381 0.05 1 1171 . 113 HIS HA H 5.471 0.02 1 1172 . 113 HIS CB C 33.401 0.05 1 1173 . 113 HIS HB2 H 3.075 0.02 2 1174 . 113 HIS HB3 H 3.178 0.02 2 1175 . 113 HIS C C 172.731 0.05 1 1176 . 114 PHE CA C 56.615 0.05 1 1177 . 114 PHE HA H 4.925 0.02 1 1178 . 114 PHE CB C 40.725 0.05 1 1179 . 114 PHE HB2 H 3.145 0.02 2 1180 . 114 PHE HB3 H 3.045 0.02 2 1181 . 114 PHE C C 173.43 0.05 1 1182 . 115 ASP N N 125.862 0.05 1 1183 . 115 ASP H H 7.43 0.02 1 1184 . 115 ASP CA C 52.62 0.05 1 1185 . 115 ASP HA H 4.537 0.02 1 1186 . 115 ASP CB C 39.375 0.05 1 1187 . 115 ASP HB2 H 2.412 0.02 1 1188 . 115 ASP HB3 H 2.412 0.02 1 1189 . 115 ASP C C 175.243 0.05 1 1190 . 116 GLU N N 126.456 0.05 1 1191 . 116 GLU H H 8.341 0.02 1 1192 . 116 GLU CA C 56.799 0.05 1 1193 . 116 GLU HA H 4.468 0.02 1 1194 . 116 GLU CB C 28.386 0.05 1 1195 . 116 GLU HB2 H 1.774 0.02 1 1196 . 116 GLU HB3 H 1.774 0.02 1 1197 . 116 GLU CG C 34.465 0.05 1 1198 . 116 GLU HG2 H 2.229 0.02 1 1199 . 116 GLU HG3 H 2.229 0.02 1 1200 . 116 GLU C C 178.619 0.05 1 1201 . 117 SER N N 114.878 0.05 1 1202 . 117 SER H H 8.174 0.02 1 1203 . 117 SER CA C 59.791 0.05 1 1204 . 117 SER HA H 4.242 0.02 1 1205 . 117 SER CB C 63.133 0.05 1 1206 . 117 SER HB2 H 3.907 0.02 2 1207 . 117 SER HB3 H 4.003 0.02 2 1208 . 117 SER C C 174.824 0.05 1 1209 . 118 PHE N N 121.706 0.05 1 1210 . 118 PHE H H 7.097 0.02 1 1211 . 118 PHE CA C 58.837 0.05 1 1212 . 118 PHE HA H 4.258 0.02 1 1213 . 118 PHE CB C 38.909 0.05 1 1214 . 118 PHE HB2 H 2.731 0.02 2 1215 . 118 PHE HB3 H 2.952 0.02 2 1216 . 118 PHE C C 175.126 0.05 1 1217 . 119 ILE N N 118.44 0.05 1 1218 . 119 ILE H H 7.129 0.02 1 1219 . 119 ILE CA C 59.641 0.05 1 1220 . 119 ILE HA H 3.961 0.02 1 1221 . 119 ILE CB C 38.247 0.05 1 1222 . 119 ILE HB H 1.87 0.02 1 1223 . 119 ILE CG1 C 27.385 0.05 2 1224 . 119 ILE HG12 H 1.473 0.02 1 1225 . 119 ILE HG13 H 1.249 0.02 1 1226 . 119 ILE CD1 C 12.824 0.05 1 1227 . 119 ILE HD1 H 0.826 0.02 1 1228 . 119 ILE CG2 C 18.18 0.05 2 1229 . 119 ILE HG2 H 0.826 0.02 1 1230 . 119 ILE C C 175.02 0.05 1 1231 . 120 SER N N 117.549 0.05 1 1232 . 120 SER H H 7.442 0.02 1 1233 . 120 SER CA C 55.601 0.05 1 1234 . 120 SER HA H 4.56 0.02 1 1235 . 120 SER CB C 63.422 0.05 1 1236 . 120 SER HB2 H 3.748 0.02 2 1237 . 120 SER HB3 H 3.612 0.02 2 1238 . 120 SER C C 171.763 0.05 1 stop_ save_