data_7206 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Human RNase 7 ; _BMRB_accession_number 7206 _BMRB_flat_file_name bmr7206.str _Entry_type original _Submission_date 2006-07-04 _Accession_date 2006-07-05 _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 Huang Yu-Chie . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 759 "13C chemical shifts" 522 "15N chemical shifts" 118 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-07-16 update BMRB 'complete entry citation' 2006-08-14 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; The flexible and clustered lysine residues of human ribonuclease 7 are critical for membrane permeability and antimicrobial activity ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17150966 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Huang Yu-Chie . . 2 Lin Yu-Min . . 3 Chang Tin-Wei . . 4 Wu Shi-Jung . . 5 Lee Yan-Shin . . 6 Yu Hui-Ming . . 7 Chang Dah-Tsyr . . 8 Chen Chinpan . . 9 Wu Shih-Hsiung . . 10 Liao You-Di . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 282 _Journal_issue 7 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4626 _Page_last 4633 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'human RNase 7' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'human RNase 7' $human_RNase_7 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic yes _System_thiol_state 'all disulfide bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_human_RNase_7 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'human RNase 7' _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 129 _Mol_residue_sequence ; MKPKGMTSSQWFKIQHMQPS PQACNSAMKNINKHTKRCKD LNTFLHEPFSSVAATCQTPK IACKNGDKNCHQSHGPVSLT MCKLTSGKYPNCRYKEKRQN KSYVVACKPPQKKDSQQFHL VPVHLDRVL ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 PRO 4 LYS 5 GLY 6 MET 7 THR 8 SER 9 SER 10 GLN 11 TRP 12 PHE 13 LYS 14 ILE 15 GLN 16 HIS 17 MET 18 GLN 19 PRO 20 SER 21 PRO 22 GLN 23 ALA 24 CYS 25 ASN 26 SER 27 ALA 28 MET 29 LYS 30 ASN 31 ILE 32 ASN 33 LYS 34 HIS 35 THR 36 LYS 37 ARG 38 CYS 39 LYS 40 ASP 41 LEU 42 ASN 43 THR 44 PHE 45 LEU 46 HIS 47 GLU 48 PRO 49 PHE 50 SER 51 SER 52 VAL 53 ALA 54 ALA 55 THR 56 CYS 57 GLN 58 THR 59 PRO 60 LYS 61 ILE 62 ALA 63 CYS 64 LYS 65 ASN 66 GLY 67 ASP 68 LYS 69 ASN 70 CYS 71 HIS 72 GLN 73 SER 74 HIS 75 GLY 76 PRO 77 VAL 78 SER 79 LEU 80 THR 81 MET 82 CYS 83 LYS 84 LEU 85 THR 86 SER 87 GLY 88 LYS 89 TYR 90 PRO 91 ASN 92 CYS 93 ARG 94 TYR 95 LYS 96 GLU 97 LYS 98 ARG 99 GLN 100 ASN 101 LYS 102 SER 103 TYR 104 VAL 105 VAL 106 ALA 107 CYS 108 LYS 109 PRO 110 PRO 111 GLN 112 LYS 113 LYS 114 ASP 115 SER 116 GLN 117 GLN 118 PHE 119 HIS 120 LEU 121 VAL 122 PRO 123 VAL 124 HIS 125 LEU 126 ASP 127 ARG 128 VAL 129 LEU 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 2HKY "Nmr Solution Structure Of Human Rnase 7" 100.00 129 100.00 100.00 1.11e-89 DBJ BAF85386 "unnamed protein product [Homo sapiens]" 99.22 156 99.22 100.00 1.96e-88 EMBL CAC20410 "ribonuclease 7 [Homo sapiens]" 99.22 156 100.00 100.00 8.63e-89 EMBL CAC84457 "ribonuclease 7 [Homo sapiens]" 99.22 156 100.00 100.00 8.63e-89 EMBL CAC84458 "ribonuclease 7 [Homo sapiens]" 99.22 156 100.00 100.00 8.63e-89 EMBL CAC84462 "ribonuclease 7 [Homo sapiens]" 99.22 156 100.00 100.00 8.63e-89 GB AAH74960 "Ribonuclease, RNase A family, 7 [Homo sapiens]" 99.22 156 100.00 100.00 8.63e-89 GB AAI12335 "Ribonuclease 7 [Homo sapiens]" 99.22 156 100.00 100.00 8.63e-89 GB AAO12510 "ribonuclease 7 [Homo sapiens]" 99.22 156 100.00 100.00 8.63e-89 GB AAQ89455 "RNASE7 [Homo sapiens]" 99.22 156 100.00 100.00 8.63e-89 GB AIC57364 "RNASE7, partial [synthetic construct]" 99.22 156 100.00 100.00 8.63e-89 REF NP_115961 "ribonuclease 7 precursor [Homo sapiens]" 99.22 156 99.22 99.22 6.94e-88 REF XP_003314288 "PREDICTED: ribonuclease 7 [Pan troglodytes]" 99.22 156 99.22 100.00 4.34e-88 REF XP_003804787 "PREDICTED: ribonuclease 7 [Pan paniscus]" 99.22 156 99.22 100.00 4.34e-88 REF XP_004054925 "PREDICTED: ribonuclease 7 [Gorilla gorilla gorilla]" 99.22 156 99.22 100.00 4.34e-88 SP Q9H1E1 "RecName: Full=Ribonuclease 7; Short=RNase 7; AltName: Full=Skin-derived antimicrobial protein 2; Short=SAP-2; Flags: Precursor " 99.22 156 98.44 99.22 7.42e-87 TPE CDG31915 "TPA: ribonuclease A E1 [Homo sapiens]" 99.22 156 100.00 100.00 8.63e-89 TPE CDG31930 "TPA: ribonuclease A E1 [Pan troglodytes]" 99.22 156 99.22 100.00 4.34e-88 TPE CDG31937 "TPA: ribonuclease A E1 [Gorilla gorilla]" 99.22 156 99.22 100.00 4.34e-88 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $human_RNase_7 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $human_RNase_7 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $human_RNase_7 0.6 mM '[U-95% 13C; U-90% 15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600 _Saveframe_category NMR_spectrometer _Manufacturer BRUKER _Model DRX _Field_strength 600 _Details . save_ save_800 _Saveframe_category NMR_spectrometer _Manufacturer BRUKER _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _Sample_label $sample_1 save_ save_2D_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_15N_NOESY-HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N NOESY-HSQC' _Sample_label $sample_1 save_ save_3D_15N_TOCSY-HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N TOCSY-HSQC' _Sample_label $sample_1 save_ save_3D_C(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HC(CO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HC(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_2D_TOCSY _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_2D_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_2D_1H-13C_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_2D_1H-15N_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_HNCACB _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_CBCA(CO)NH _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_HNCO _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_HN(CA)CO _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_15N_NOESY-HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_15N_TOCSY-HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N TOCSY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_C(CO)NH _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_HC(CO)NH _Saveframe_category NMR_applied_experiment _Experiment_name '3D HC(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_HCCH-TOCSY _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 3.5 0.01 pH temperature 310 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 external direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'human RNase 7' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.233 0.02 1 2 1 1 MET HB2 H 2.216 0.02 1 3 1 1 MET HB3 H 2.216 0.02 1 4 1 1 MET C C 171.381 0.2 1 5 1 1 MET CA C 54.911 0.2 1 6 1 1 MET CB C 30.487 0.2 1 7 1 1 MET CG C 32.059 0.2 1 8 2 2 LYS H H 8.469 0.02 1 9 2 2 LYS HA H 3.797 0.02 1 10 2 2 LYS HB2 H 1.828 0.02 1 11 2 2 LYS HB3 H 1.828 0.02 1 12 2 2 LYS HD2 H 1.509 0.02 1 13 2 2 LYS HD3 H 1.658 0.02 1 14 2 2 LYS C C 173.258 0.2 1 15 2 2 LYS CD C 31.835 0.2 1 16 2 2 LYS N N 125.478 0.1 1 17 3 3 PRO HA H 4.202 0.02 1 18 3 3 PRO HB2 H 2.168 0.02 1 19 3 3 PRO HB3 H 1.523 0.02 1 20 3 3 PRO HG2 H 1.026 0.02 1 21 3 3 PRO HG3 H 1.026 0.02 1 22 3 3 PRO C C 176.303 0.2 1 23 3 3 PRO CA C 62.62 0.2 1 24 3 3 PRO CB C 31.727 0.2 1 25 3 3 PRO CG C 27.329 0.2 1 26 3 3 PRO CD C 50.071 0.2 1 27 4 4 LYS H H 8.331 0.02 1 28 4 4 LYS HA H 4.118 0.02 1 29 4 4 LYS HB2 H 1.811 0.02 1 30 4 4 LYS HB3 H 1.811 0.02 1 31 4 4 LYS HG2 H 1.528 0.02 1 32 4 4 LYS HG3 H 1.528 0.02 1 33 4 4 LYS HD2 H 1.74 0.02 1 34 4 4 LYS HD3 H 1.74 0.02 1 35 4 4 LYS HE2 H 3.064 0.02 1 36 4 4 LYS HE3 H 3.064 0.02 1 37 4 4 LYS C C 177.903 0.2 1 38 4 4 LYS CA C 57.626 0.2 1 39 4 4 LYS CB C 32.375 0.2 1 40 4 4 LYS CG C 24.743 0.2 1 41 4 4 LYS CD C 29.062 0.2 1 42 4 4 LYS CE C 42.039 0.2 1 43 4 4 LYS N N 123.132 0.1 1 44 5 5 GLY H H 8.699 0.02 1 45 5 5 GLY HA2 H 4.121 0.02 1 46 5 5 GLY HA3 H 3.823 0.02 1 47 5 5 GLY C C 173.713 0.2 1 48 5 5 GLY CA C 45.314 0.2 1 49 5 5 GLY N N 110.828 0.1 1 50 6 6 MET H H 7.428 0.02 1 51 6 6 MET HA H 4.863 0.02 1 52 6 6 MET HB2 H 1.99 0.02 1 53 6 6 MET HB3 H 1.911 0.02 1 54 6 6 MET HG2 H 2.426 0.02 1 55 6 6 MET HG3 H 2.624 0.02 1 56 6 6 MET C C 176.274 0.2 1 57 6 6 MET CA C 56.73 0.2 1 58 6 6 MET CB C 35.44 0.2 1 59 6 6 MET CG C 32.116 0.2 1 60 6 6 MET N N 118.383 0.1 1 61 7 7 THR H H 8.604 0.02 1 62 7 7 THR HA H 4.685 0.02 1 63 7 7 THR HB H 4.942 0.02 1 64 7 7 THR HG2 H 1.266 0.02 1 65 7 7 THR C C 176.164 0.2 1 66 7 7 THR CA C 60.785 0.2 1 67 7 7 THR CB C 69.729 0.2 1 68 7 7 THR CG2 C 22.054 0.2 1 69 7 7 THR N N 113.851 0.1 1 70 8 8 SER H H 9.03 0.02 1 71 8 8 SER HB2 H 4.131 0.02 1 72 8 8 SER HB3 H 4.031 0.02 1 73 8 8 SER HG H 5.283 0.02 1 74 8 8 SER C C 177.6 0.2 1 75 8 8 SER CA C 62.527 0.2 1 76 8 8 SER CB C 62.527 0.2 1 77 8 8 SER N N 117.946 0.1 1 78 9 9 SER H H 9.782 0.02 1 79 9 9 SER HA H 4.688 0.02 1 80 9 9 SER HB2 H 4.065 0.02 1 81 9 9 SER HB3 H 4.065 0.02 1 82 9 9 SER C C 177.422 0.2 1 83 9 9 SER CA C 60.893 0.2 1 84 9 9 SER CB C 63.085 0.2 1 85 9 9 SER N N 119.339 0.1 1 86 10 10 GLN H H 8.212 0.02 1 87 10 10 GLN HA H 4.148 0.02 1 88 10 10 GLN HB2 H 2.455 0.02 1 89 10 10 GLN HB3 H 2.215 0.02 1 90 10 10 GLN HG2 H 2.632 0.02 1 91 10 10 GLN HG3 H 2.686 0.02 1 92 10 10 GLN HE21 H 6.735 0.02 1 93 10 10 GLN HE22 H 7.393 0.02 1 94 10 10 GLN C C 178.759 0.2 1 95 10 10 GLN CA C 59.252 0.2 1 96 10 10 GLN CB C 28.445 0.2 1 97 10 10 GLN CG C 33.837 0.2 1 98 10 10 GLN N N 123.196 0.1 1 99 11 11 TRP H H 8.413 0.02 1 100 11 11 TRP HA H 5.16 0.02 1 101 11 11 TRP HB2 H 3.481 0.02 1 102 11 11 TRP HB3 H 3.314 0.02 1 103 11 11 TRP HD1 H 7.512 0.02 1 104 11 11 TRP HE3 H 7.579 0.02 1 105 11 11 TRP HZ2 H 7.37 0.02 1 106 11 11 TRP HZ3 H 6.635 0.02 1 107 11 11 TRP HH2 H 7.211 0.02 1 108 11 11 TRP C C 177.722 0.2 1 109 11 11 TRP CA C 58.055 0.2 1 110 11 11 TRP CB C 31.486 0.2 1 111 11 11 TRP N N 120.513 0.1 1 112 12 12 PHE H H 8.465 0.02 1 113 12 12 PHE HA H 4.17 0.02 1 114 12 12 PHE HB2 H 3.587 0.02 1 115 12 12 PHE HB3 H 3.138 0.02 1 116 12 12 PHE HD1 H 7.103 0.02 1 117 12 12 PHE HD2 H 7.103 0.02 1 118 12 12 PHE HE1 H 7.036 0.02 1 119 12 12 PHE HE2 H 7.036 0.02 1 120 12 12 PHE C C 177.306 0.2 1 121 12 12 PHE CA C 61.846 0.2 1 122 12 12 PHE CB C 38.85 0.2 1 123 12 12 PHE N N 120.529 0.1 1 124 13 13 LYS H H 8.21 0.02 1 125 13 13 LYS HA H 3.821 0.02 1 126 13 13 LYS HB2 H 2.113 0.02 1 127 13 13 LYS HB3 H 2.047 0.02 1 128 13 13 LYS HG2 H 1.284 0.02 1 129 13 13 LYS HG3 H 1.784 0.02 1 130 13 13 LYS HD2 H 1.392 0.02 1 131 13 13 LYS HD3 H 1.392 0.02 1 132 13 13 LYS C C 179.206 0.2 1 133 13 13 LYS CA C 60.585 0.2 1 134 13 13 LYS CB C 32.337 0.2 1 135 13 13 LYS CG C 26.298 0.2 1 136 13 13 LYS CD C 29.525 0.2 1 137 13 13 LYS CE C 41.287 0.2 1 138 13 13 LYS N N 119.75 0.1 1 139 14 14 ILE H H 8.037 0.02 1 140 14 14 ILE HA H 3.724 0.02 1 141 14 14 ILE HB H 1.917 0.02 1 142 14 14 ILE HG12 H 1.883 0.02 1 143 14 14 ILE HG13 H 1.39 0.02 1 144 14 14 ILE HG2 H 0.898 0.02 1 145 14 14 ILE HD1 H 1.113 0.02 1 146 14 14 ILE C C 178.063 0.2 1 147 14 14 ILE CA C 64.363 0.2 1 148 14 14 ILE CB C 38.184 0.2 1 149 14 14 ILE CG1 C 29.446 0.2 1 150 14 14 ILE CG2 C 17.391 0.2 1 151 14 14 ILE CD1 C 13.484 0.2 1 152 14 14 ILE N N 119.33 0.1 1 153 15 15 GLN H H 7.706 0.02 1 154 15 15 GLN HA H 3.52 0.02 1 155 15 15 GLN HB2 H 0.744 0.02 1 156 15 15 GLN HB3 H 0.58 0.02 1 157 15 15 GLN HG2 H 0.957 0.02 1 158 15 15 GLN HG3 H 0.582 0.02 1 159 15 15 GLN HE21 H 5.708 0.02 1 160 15 15 GLN HE22 H 7.452 0.02 1 161 15 15 GLN C C 175.878 0.2 1 162 15 15 GLN CA C 58.289 0.2 1 163 15 15 GLN CB C 30.939 0.2 1 164 15 15 GLN CG C 34.943 0.2 1 165 15 15 GLN N N 112.486 0.1 1 166 16 16 HIS H H 7.755 0.02 1 167 16 16 HIS HA H 5.268 0.02 1 168 16 16 HIS HB2 H 2.624 0.02 1 169 16 16 HIS HB3 H 1.814 0.02 1 170 16 16 HIS HD2 H 6.444 0.02 1 171 16 16 HIS HE1 H 8.74 0.02 1 172 16 16 HIS C C 174.795 0.2 1 173 16 16 HIS CA C 54.449 0.2 1 174 16 16 HIS CB C 30.291 0.2 1 175 16 16 HIS N N 105.518 0.1 1 176 17 17 MET H H 8.374 0.02 1 177 17 17 MET HA H 5.255 0.02 1 178 17 17 MET HB2 H 2.759 0.02 1 179 17 17 MET HB3 H 2.277 0.02 1 180 17 17 MET HG2 H 2.629 0.02 1 181 17 17 MET HG3 H 3.1 0.02 1 182 17 17 MET C C 175.916 0.2 1 183 17 17 MET CA C 53.676 0.2 1 184 17 17 MET CB C 29.435 0.2 1 185 17 17 MET CG C 31.336 0.2 1 186 17 17 MET N N 118.203 0.1 1 187 18 18 GLN H H 8.546 0.02 1 188 18 18 GLN HA H 4.85 0.02 1 189 18 18 GLN HB2 H 1.666 0.02 1 190 18 18 GLN HB3 H 1.949 0.02 1 191 18 18 GLN HG2 H 2.193 0.02 1 192 18 18 GLN HG3 H 2.193 0.02 1 193 18 18 GLN HE21 H 5.094 0.02 1 194 18 18 GLN HE22 H 7.009 0.02 1 195 18 18 GLN C C 171.982 0.2 1 196 18 18 GLN CA C 53.438 0.2 1 197 18 18 GLN CB C 32.977 0.2 1 198 18 18 GLN CG C 35.222 0.2 1 199 18 18 GLN N N 123.63 0.1 1 200 19 19 PRO HA H 4.141 0.02 1 201 19 19 PRO HB2 H 2.26 0.02 1 202 19 19 PRO HB3 H 2.061 0.02 1 203 19 19 PRO HG2 H 2.216 0.02 1 204 19 19 PRO HG3 H 2.216 0.02 1 205 19 19 PRO HD2 H 3.924 0.02 1 206 19 19 PRO HD3 H 3.64 0.02 1 207 19 19 PRO C C 176.194 0.2 1 208 19 19 PRO CA C 66.439 0.2 1 209 19 19 PRO CB C 31.758 0.2 1 210 19 19 PRO CG C 27.267 0.2 1 211 19 19 PRO CD C 50.33 0.2 1 212 20 20 SER H H 7.628 0.02 1 213 20 20 SER HA H 4.968 0.02 1 214 20 20 SER HB2 H 3.795 0.02 1 215 20 20 SER HB3 H 3.665 0.02 1 216 20 20 SER C C 172.224 0.2 1 217 20 20 SER CA C 54.005 0.2 1 218 20 20 SER CB C 63.39 0.2 1 219 20 20 SER N N 110.997 0.1 1 220 21 21 PRO HA H 3.972 0.02 1 221 21 21 PRO HB2 H 1.612 0.02 1 222 21 21 PRO HB3 H 1.672 0.02 1 223 21 21 PRO HG2 H 1.874 0.02 1 224 21 21 PRO HG3 H 0.855 0.02 1 225 21 21 PRO HD2 H 3.586 0.02 1 226 21 21 PRO HD3 H 3.586 0.02 1 227 21 21 PRO C C 175.372 0.2 1 228 21 21 PRO CA C 63.829 0.2 1 229 21 21 PRO CB C 31.828 0.2 1 230 21 21 PRO CG C 27.01 0.2 1 231 21 21 PRO CD C 50.785 0.2 1 232 22 22 GLN H H 7.182 0.02 1 233 22 22 GLN HA H 4.45 0.02 1 234 22 22 GLN HB2 H 1.905 0.02 1 235 22 22 GLN HB3 H 1.552 0.02 1 236 22 22 GLN HG2 H 2.291 0.02 1 237 22 22 GLN HG3 H 2.291 0.02 1 238 22 22 GLN HE21 H 6.735 0.02 1 239 22 22 GLN HE22 H 7.205 0.02 1 240 22 22 GLN C C 174.383 0.2 1 241 22 22 GLN CA C 53.306 0.2 1 242 22 22 GLN CB C 32.787 0.2 1 243 22 22 GLN CG C 33.166 0.2 1 244 22 22 GLN N N 121.818 0.1 1 245 23 23 ALA H H 8.507 0.02 1 246 23 23 ALA HA H 4.614 0.02 1 247 23 23 ALA HB H 1.574 0.02 1 248 23 23 ALA C C 179.165 0.2 1 249 23 23 ALA CA C 52.087 0.2 1 250 23 23 ALA CB C 18.958 0.2 1 251 23 23 ALA N N 126.019 0.1 1 252 24 24 CYS H H 9.128 0.02 1 253 24 24 CYS HA H 4.177 0.02 1 254 24 24 CYS HB2 H 3.246 0.02 1 255 24 24 CYS HB3 H 2.416 0.02 1 256 24 24 CYS C C 176.611 0.2 1 257 24 24 CYS CA C 60.787 0.2 1 258 24 24 CYS CB C 41.271 0.2 1 259 24 24 CYS N N 119.736 0.1 1 260 25 25 ASN H H 9.137 0.02 1 261 25 25 ASN HA H 4.654 0.02 1 262 25 25 ASN HB2 H 2.988 0.02 1 263 25 25 ASN HB3 H 2.988 0.02 1 264 25 25 ASN HD21 H 7.253 0.02 1 265 25 25 ASN HD22 H 7.627 0.02 1 266 25 25 ASN C C 177.865 0.2 1 267 25 25 ASN CA C 56.811 0.2 1 268 25 25 ASN CB C 37.147 0.2 1 269 25 25 ASN N N 116.104 0.1 1 270 26 26 SER H H 7.192 0.02 1 271 26 26 SER HA H 4.476 0.02 1 272 26 26 SER HB2 H 3.956 0.02 1 273 26 26 SER HB3 H 3.956 0.02 1 274 26 26 SER C C 176.524 0.2 1 275 26 26 SER CA C 60.055 0.2 1 276 26 26 SER CB C 62.908 0.2 1 277 26 26 SER N N 111.99 0.1 1 278 27 27 ALA H H 8.452 0.02 1 279 27 27 ALA HA H 4.067 0.02 1 280 27 27 ALA HB H 0.964 0.02 1 281 27 27 ALA C C 181.184 0.2 1 282 27 27 ALA CA C 54.713 0.2 1 283 27 27 ALA CB C 19.845 0.2 1 284 27 27 ALA N N 124.996 0.1 1 285 28 28 MET H H 8.699 0.02 1 286 28 28 MET HA H 4.696 0.02 1 287 28 28 MET HB2 H 1.945 0.02 1 288 28 28 MET HB3 H 1.861 0.02 1 289 28 28 MET C C 178.861 0.2 1 290 28 28 MET CA C 54.808 0.2 1 291 28 28 MET CB C 28.865 0.2 1 292 28 28 MET CE C 15.783 0.2 1 293 28 28 MET N N 112.275 0.1 1 294 29 29 LYS H H 7.381 0.02 1 295 29 29 LYS HA H 4.424 0.02 1 296 29 29 LYS HB2 H 2.06 0.02 1 297 29 29 LYS HB3 H 2.06 0.02 1 298 29 29 LYS HG2 H 1.926 0.02 1 299 29 29 LYS HG3 H 1.705 0.02 1 300 29 29 LYS HD2 H 1.865 0.02 1 301 29 29 LYS HD3 H 1.865 0.02 1 302 29 29 LYS HE2 H 3.159 0.02 1 303 29 29 LYS HE3 H 3.159 0.02 1 304 29 29 LYS C C 178.732 0.2 1 305 29 29 LYS CA C 60.382 0.2 1 306 29 29 LYS CB C 32.227 0.2 1 307 29 29 LYS CG C 25.189 0.2 1 308 29 29 LYS CD C 29.589 0.2 1 309 29 29 LYS CE C 42.096 0.2 1 310 29 29 LYS N N 120.162 0.1 1 311 30 30 ASN H H 7.394 0.02 1 312 30 30 ASN HA H 4.622 0.02 1 313 30 30 ASN HB2 H 3.01 0.02 1 314 30 30 ASN HB3 H 3.01 0.02 1 315 30 30 ASN HD21 H 7.19 0.02 1 316 30 30 ASN HD22 H 7.94 0.02 1 317 30 30 ASN C C 175.488 0.2 1 318 30 30 ASN CA C 55.369 0.2 1 319 30 30 ASN CB C 38.666 0.2 1 320 30 30 ASN N N 113.666 0.1 1 321 31 31 ILE H H 7.131 0.02 1 322 31 31 ILE HA H 4.066 0.02 1 323 31 31 ILE HB H 1.936 0.02 1 324 31 31 ILE HG12 H 1.648 0.02 1 325 31 31 ILE HG13 H 0.828 0.02 1 326 31 31 ILE HG2 H 0.964 0.02 1 327 31 31 ILE HD1 H 1.033 0.02 1 328 31 31 ILE C C 178.295 0.2 1 329 31 31 ILE CA C 64.467 0.2 1 330 31 31 ILE CB C 40.069 0.2 1 331 31 31 ILE CG1 C 30.025 0.2 1 332 31 31 ILE CG2 C 17.874 0.2 1 333 31 31 ILE CD1 C 15.711 0.2 1 334 31 31 ILE N N 117.348 0.1 1 335 32 32 ASN H H 8.728 0.02 1 336 32 32 ASN HA H 5.018 0.02 1 337 32 32 ASN HB2 H 3.301 0.02 1 338 32 32 ASN HB3 H 3.002 0.02 1 339 32 32 ASN HD21 H 7.531 0.02 1 340 32 32 ASN HD22 H 8.753 0.02 1 341 32 32 ASN C C 177.124 0.2 1 342 32 32 ASN CA C 54.864 0.2 1 343 32 32 ASN CB C 37.957 0.2 1 344 32 32 ASN N N 118.105 0.1 1 345 33 33 LYS H H 8.2 0.02 1 346 33 33 LYS HA H 4.582 0.02 1 347 33 33 LYS HB2 H 2.063 0.02 1 348 33 33 LYS HB3 H 1.948 0.02 1 349 33 33 LYS HG2 H 1.443 0.02 1 350 33 33 LYS HG3 H 0.875 0.02 1 351 33 33 LYS HD2 H 1.742 0.02 1 352 33 33 LYS HD3 H 1.742 0.02 1 353 33 33 LYS HE2 H 3.086 0.02 1 354 33 33 LYS HE3 H 3.086 0.02 1 355 33 33 LYS C C 177.202 0.2 1 356 33 33 LYS CA C 58.32 0.2 1 357 33 33 LYS CB C 31.29 0.2 1 358 33 33 LYS CG C 23.879 0.2 1 359 33 33 LYS CD C 29.771 0.2 1 360 33 33 LYS CE C 41.949 0.2 1 361 33 33 LYS N N 117.95 0.1 1 362 34 34 HIS H H 7.78 0.02 1 363 34 34 HIS HA H 4.545 0.02 1 364 34 34 HIS HB2 H 3.55 0.02 1 365 34 34 HIS HB3 H 3.248 0.02 1 366 34 34 HIS HD2 H 7.373 0.02 1 367 34 34 HIS HE1 H 8.646 0.02 1 368 34 34 HIS C C 175.288 0.2 1 369 34 34 HIS CA C 57.838 0.2 1 370 34 34 HIS CB C 29.102 0.2 1 371 34 34 HIS N N 114.008 0.1 1 372 35 35 THR H H 7.54 0.02 1 373 35 35 THR HA H 4.379 0.02 1 374 35 35 THR HB H 4.326 0.02 1 375 35 35 THR HG2 H 1.355 0.02 1 376 35 35 THR C C 174.871 0.2 1 377 35 35 THR CA C 61.51 0.2 1 378 35 35 THR CB C 69.837 0.2 1 379 35 35 THR CG2 C 22.043 0.2 1 380 35 35 THR N N 108.167 0.1 1 381 36 36 LYS H H 8.274 0.02 1 382 36 36 LYS HA H 2.071 0.02 1 383 36 36 LYS HB2 H 1.899 0.02 1 384 36 36 LYS HB3 H 1.56 0.02 1 385 36 36 LYS HG2 H 1.226 0.02 1 386 36 36 LYS HG3 H 1.226 0.02 1 387 36 36 LYS HD2 H 1.623 0.02 1 388 36 36 LYS HD3 H 1.623 0.02 1 389 36 36 LYS HE2 H 3.16 0.02 1 390 36 36 LYS HE3 H 3.16 0.02 1 391 36 36 LYS C C 173.823 0.2 1 392 36 36 LYS CA C 56.354 0.2 1 393 36 36 LYS CB C 28.568 0.2 1 394 36 36 LYS CG C 24.925 0.2 1 395 36 36 LYS CD C 27.792 0.2 1 396 36 36 LYS CE C 42.359 0.2 1 397 36 36 LYS N N 116.362 0.1 1 398 37 37 ARG H H 7.563 0.02 1 399 37 37 ARG HA H 4.514 0.02 1 400 37 37 ARG HB2 H 1.712 0.02 1 401 37 37 ARG HB3 H 1.61 0.02 1 402 37 37 ARG HG2 H 1.521 0.02 1 403 37 37 ARG HG3 H 1.521 0.02 1 404 37 37 ARG HD2 H 3.195 0.02 1 405 37 37 ARG HD3 H 3.263 0.02 1 406 37 37 ARG C C 174.405 0.2 1 407 37 37 ARG CA C 54.228 0.2 1 408 37 37 ARG CB C 33.723 0.2 1 409 37 37 ARG CG C 26.517 0.2 1 410 37 37 ARG CD C 43.331 0.2 1 411 37 37 ARG N N 115.973 0.1 1 412 38 38 CYS H H 8.571 0.02 1 413 38 38 CYS HA H 4.786 0.02 1 414 38 38 CYS HB2 H 3.083 0.02 1 415 38 38 CYS HB3 H 2.917 0.02 1 416 38 38 CYS C C 174.219 0.2 1 417 38 38 CYS CA C 52.71 0.2 1 418 38 38 CYS CB C 39.017 0.2 1 419 38 38 CYS N N 117.473 0.1 1 420 39 39 LYS H H 8.461 0.02 1 421 39 39 LYS HA H 4.295 0.02 1 422 39 39 LYS HB2 H 2.097 0.02 1 423 39 39 LYS HB3 H 1.675 0.02 1 424 39 39 LYS HG2 H 1.522 0.02 1 425 39 39 LYS HG3 H 1.522 0.02 1 426 39 39 LYS HD2 H 1.974 0.02 1 427 39 39 LYS HD3 H 1.974 0.02 1 428 39 39 LYS C C 178.446 0.2 1 429 39 39 LYS CA C 57.757 0.2 1 430 39 39 LYS CB C 32.807 0.2 1 431 39 39 LYS CG C 25.709 0.2 1 432 39 39 LYS CD C 30.775 0.2 1 433 39 39 LYS CE C 41.94 0.2 1 434 39 39 LYS N N 127.552 0.1 1 435 40 40 ASP H H 8.994 0.02 1 436 40 40 ASP HA H 4.52 0.02 1 437 40 40 ASP HB2 H 2.869 0.02 1 438 40 40 ASP HB3 H 2.869 0.02 1 439 40 40 ASP C C 181.136 0.2 1 440 40 40 ASP CA C 57.398 0.2 1 441 40 40 ASP CB C 40.723 0.2 1 442 40 40 ASP N N 127.319 0.1 1 443 41 41 LEU H H 7.741 0.02 1 444 41 41 LEU HA H 5.475 0.02 1 445 41 41 LEU HB2 H 1.726 0.02 1 446 41 41 LEU HB3 H 1.649 0.02 1 447 41 41 LEU HG H 1.573 0.02 1 448 41 41 LEU HD1 H 1.562 0.02 1 449 41 41 LEU HD2 H 0.96 0.02 1 450 41 41 LEU C C 175.71 0.2 1 451 41 41 LEU CA C 53.989 0.2 1 452 41 41 LEU CB C 45.336 0.2 1 453 41 41 LEU CG C 27.399 0.2 1 454 41 41 LEU CD1 C 25.431 0.2 1 455 41 41 LEU CD2 C 24.004 0.2 1 456 41 41 LEU N N 119.09 0.1 1 457 42 42 ASN H H 8.679 0.02 1 458 42 42 ASN HA H 5.134 0.02 1 459 42 42 ASN HB2 H 2.268 0.02 1 460 42 42 ASN HB3 H 2.153 0.02 1 461 42 42 ASN HD21 H 7.143 0.02 1 462 42 42 ASN HD22 H 4.14 0.02 1 463 42 42 ASN C C 172.83 0.2 1 464 42 42 ASN CA C 53.544 0.2 1 465 42 42 ASN CB C 44.71 0.2 1 466 42 42 ASN N N 120.254 0.1 1 467 43 43 THR H H 7.705 0.02 1 468 43 43 THR HA H 5.019 0.02 1 469 43 43 THR HB H 3.533 0.02 1 470 43 43 THR HG2 H 0.957 0.02 1 471 43 43 THR C C 173.042 0.2 1 472 43 43 THR CA C 62.083 0.2 1 473 43 43 THR CB C 69.561 0.2 1 474 43 43 THR CG2 C 22.963 0.2 1 475 43 43 THR N N 122.531 0.1 1 476 44 44 PHE H H 9.549 0.02 1 477 44 44 PHE HA H 4.938 0.02 1 478 44 44 PHE HB2 H 2.583 0.02 1 479 44 44 PHE HB3 H 2.583 0.02 1 480 44 44 PHE HD1 H 6.861 0.02 1 481 44 44 PHE HD2 H 6.861 0.02 1 482 44 44 PHE HE1 H 7.168 0.02 1 483 44 44 PHE HE2 H 7.168 0.02 1 484 44 44 PHE C C 174.342 0.2 1 485 44 44 PHE CA C 56.363 0.2 1 486 44 44 PHE CB C 42.252 0.2 1 487 44 44 PHE N N 125.749 0.1 1 488 45 45 LEU H H 9.328 0.02 1 489 45 45 LEU HA H 4.173 0.02 1 490 45 45 LEU HB2 H 1.999 0.02 1 491 45 45 LEU HB3 H 1.038 0.02 1 492 45 45 LEU HG H 1.357 0.02 1 493 45 45 LEU HD1 H 0.233 0.02 1 494 45 45 LEU HD2 H 0.323 0.02 1 495 45 45 LEU C C 176.755 0.2 1 496 45 45 LEU CA C 54.263 0.2 1 497 45 45 LEU CB C 42.791 0.2 1 498 45 45 LEU CG C 27.21 0.2 1 499 45 45 LEU CD1 C 23.201 0.2 1 500 45 45 LEU CD2 C 24.521 0.2 1 501 45 45 LEU N N 121.736 0.1 1 502 46 46 HIS H H 8.66 0.02 1 503 46 46 HIS HA H 5.427 0.02 1 504 46 46 HIS HB2 H 3.424 0.02 1 505 46 46 HIS HB3 H 3.112 0.02 1 506 46 46 HIS HD2 H 7.283 0.02 1 507 46 46 HIS HE1 H 9.313 0.02 1 508 46 46 HIS C C 172.486 0.2 1 509 46 46 HIS CA C 52.304 0.2 1 510 46 46 HIS CB C 25.979 0.2 1 511 46 46 HIS N N 122.857 0.1 1 512 47 47 GLU H H 7.075 0.02 1 513 47 47 GLU HA H 5.059 0.02 1 514 47 47 GLU HB2 H 2.252 0.02 1 515 47 47 GLU HB3 H 1.735 0.02 1 516 47 47 GLU HG2 H 2.25 0.02 1 517 47 47 GLU HG3 H 2.441 0.02 1 518 47 47 GLU C C 171.741 0.2 1 519 47 47 GLU CA C 52.866 0.2 1 520 47 47 GLU CB C 31.875 0.2 1 521 47 47 GLU CG C 33.153 0.2 1 522 47 47 GLU N N 119.077 0.1 1 523 48 48 PRO HA H 4.723 0.02 1 524 48 48 PRO HB2 H 2.605 0.02 1 525 48 48 PRO HB3 H 2.136 0.02 1 526 48 48 PRO HG2 H 2.165 0.02 1 527 48 48 PRO HG3 H 2.165 0.02 1 528 48 48 PRO HD2 H 3.777 0.02 1 529 48 48 PRO HD3 H 3.925 0.02 1 530 48 48 PRO C C 178.585 0.2 1 531 48 48 PRO CA C 62.245 0.2 1 532 48 48 PRO CB C 32.122 0.2 1 533 48 48 PRO CG C 27.707 0.2 1 534 48 48 PRO CD C 50.109 0.2 1 535 49 49 PHE H H 9.429 0.02 1 536 49 49 PHE HA H 4.197 0.02 1 537 49 49 PHE HB2 H 3.502 0.02 1 538 49 49 PHE HB3 H 3.185 0.02 1 539 49 49 PHE HD1 H 7.396 0.02 1 540 49 49 PHE HD2 H 7.396 0.02 1 541 49 49 PHE HE1 H 7.337 0.02 1 542 49 49 PHE HE2 H 7.337 0.02 1 543 49 49 PHE C C 176.905 0.2 1 544 49 49 PHE CA C 62.452 0.2 1 545 49 49 PHE CB C 38.841 0.2 1 546 49 49 PHE N N 125.069 0.1 1 547 50 50 SER H H 9.006 0.02 1 548 50 50 SER HA H 3.77 0.02 1 549 50 50 SER HB2 H 4.203 0.02 1 550 50 50 SER HB3 H 4.12 0.02 1 551 50 50 SER C C 176.925 0.2 1 552 50 50 SER CA C 61.511 0.2 1 553 50 50 SER CB C 61.641 0.2 1 554 50 50 SER N N 111.936 0.1 1 555 51 51 SER H H 7.303 0.02 1 556 51 51 SER HA H 4.408 0.02 1 557 51 51 SER HB2 H 4.07 0.02 1 558 51 51 SER HB3 H 4.013 0.02 1 559 51 51 SER C C 175.718 0.2 1 560 51 51 SER CA C 61.057 0.2 1 561 51 51 SER CB C 63.121 0.2 1 562 51 51 SER N N 117.941 0.1 1 563 52 52 VAL H H 7.345 0.02 1 564 52 52 VAL HA H 4.103 0.02 1 565 52 52 VAL HB H 1.893 0.02 1 566 52 52 VAL HG1 H 0.948 0.02 1 567 52 52 VAL HG2 H 0.905 0.02 1 568 52 52 VAL C C 178.175 0.2 1 569 52 52 VAL CA C 64.553 0.2 1 570 52 52 VAL CB C 31.049 0.2 1 571 52 52 VAL CG1 C 21.869 0.2 1 572 52 52 VAL CG2 C 21.869 0.2 1 573 52 52 VAL N N 123.616 0.1 1 574 53 53 ALA H H 8.204 0.02 1 575 53 53 ALA HA H 3.473 0.02 1 576 53 53 ALA HB H 0.403 0.02 1 577 53 53 ALA C C 180.62 0.2 1 578 53 53 ALA CA C 54.827 0.2 1 579 53 53 ALA CB C 15.836 0.2 1 580 53 53 ALA N N 120.147 0.1 1 581 54 54 ALA H H 7.34 0.02 1 582 54 54 ALA HA H 4.111 0.02 1 583 54 54 ALA HB H 1.55 0.02 1 584 54 54 ALA C C 181.145 0.2 1 585 54 54 ALA CA C 54.601 0.2 1 586 54 54 ALA CB C 17.306 0.2 1 587 54 54 ALA N N 119.948 0.1 1 588 55 55 THR H H 7.724 0.02 1 589 55 55 THR HA H 3.804 0.02 1 590 55 55 THR HB H 4.598 0.02 1 591 55 55 THR HG2 H 0.889 0.02 1 592 55 55 THR C C 174.683 0.2 1 593 55 55 THR CA C 65.53 0.2 1 594 55 55 THR CB C 67.308 0.2 1 595 55 55 THR CG2 C 23.907 0.2 1 596 55 55 THR N N 119.304 0.1 1 597 56 56 CYS H H 7.438 0.02 1 598 56 56 CYS HA H 3.366 0.02 1 599 56 56 CYS HB2 H 3.003 0.02 1 600 56 56 CYS HB3 H 2.543 0.02 1 601 56 56 CYS C C 173.077 0.2 1 602 56 56 CYS CA C 55.053 0.2 1 603 56 56 CYS CB C 39.608 0.2 1 604 56 56 CYS N N 115.601 0.1 1 605 57 57 GLN H H 7.371 0.02 1 606 57 57 GLN HA H 4.252 0.02 1 607 57 57 GLN HB2 H 2.426 0.02 1 608 57 57 GLN HB3 H 2.057 0.02 1 609 57 57 GLN HG2 H 2.367 0.02 1 610 57 57 GLN HG3 H 2.367 0.02 1 611 57 57 GLN HE21 H 6.886 0.02 1 612 57 57 GLN HE22 H 7.073 0.02 1 613 57 57 GLN C C 176.951 0.2 1 614 57 57 GLN CA C 53.444 0.2 1 615 57 57 GLN CB C 28.706 0.2 1 616 57 57 GLN CG C 34.126 0.2 1 617 57 57 GLN N N 114.112 0.1 1 618 58 58 THR H H 7.592 0.02 1 619 58 58 THR HA H 4.718 0.02 1 620 58 58 THR HB H 4.835 0.02 1 621 58 58 THR HG2 H 1.411 0.02 1 622 58 58 THR C C 173.213 0.2 1 623 58 58 THR CA C 61.45 0.2 1 624 58 58 THR CB C 67.631 0.2 1 625 58 58 THR CG2 C 21.104 0.2 1 626 58 58 THR N N 112.076 0.1 1 627 59 59 PRO HA H 4.437 0.02 1 628 59 59 PRO HB2 H 2.446 0.02 1 629 59 59 PRO HB3 H 1.824 0.02 1 630 59 59 PRO HG2 H 2.223 0.02 1 631 59 59 PRO HG3 H 2.075 0.02 1 632 59 59 PRO C C 175.725 0.2 1 633 59 59 PRO CA C 64.703 0.2 1 634 59 59 PRO CB C 31.935 0.2 1 635 59 59 PRO CG C 28.096 0.2 1 636 59 59 PRO CD C 50.884 0.2 1 637 60 60 LYS H H 8.298 0.02 1 638 60 60 LYS HA H 4.079 0.02 1 639 60 60 LYS HB2 H 1.729 0.02 1 640 60 60 LYS HB3 H 1.729 0.02 1 641 60 60 LYS HG2 H 1.301 0.02 1 642 60 60 LYS HG3 H 1.301 0.02 1 643 60 60 LYS HD2 H 1.91 0.02 1 644 60 60 LYS HD3 H 1.91 0.02 1 645 60 60 LYS C C 176.335 0.2 1 646 60 60 LYS CA C 56.844 0.2 1 647 60 60 LYS CB C 32.839 0.2 1 648 60 60 LYS CG C 25.645 0.2 1 649 60 60 LYS CD C 29.321 0.2 1 650 60 60 LYS CE C 41.934 0.2 1 651 60 60 LYS N N 121.869 0.1 1 652 61 61 ILE H H 8.497 0.02 1 653 61 61 ILE HA H 4.477 0.02 1 654 61 61 ILE HB H 1.892 0.02 1 655 61 61 ILE HG12 H 0.815 0.02 1 656 61 61 ILE HG13 H 0.595 0.02 1 657 61 61 ILE HG2 H 0.83 0.02 1 658 61 61 ILE HD1 H 0.776 0.02 1 659 61 61 ILE C C 174.415 0.2 1 660 61 61 ILE CA C 58.938 0.2 1 661 61 61 ILE CB C 42.815 0.2 1 662 61 61 ILE CG1 C 25.357 0.2 1 663 61 61 ILE CG2 C 17.954 0.2 1 664 61 61 ILE CD1 C 14.709 0.2 1 665 61 61 ILE N N 118.611 0.1 1 666 62 62 ALA H H 8.169 0.02 1 667 62 62 ALA HA H 4.469 0.02 1 668 62 62 ALA HB H 1.358 0.02 1 669 62 62 ALA C C 179.265 0.2 1 670 62 62 ALA CA C 52.474 0.2 1 671 62 62 ALA CB C 18.689 0.2 1 672 62 62 ALA N N 121.072 0.1 1 673 63 63 CYS H H 9.057 0.02 1 674 63 63 CYS HA H 4.686 0.02 1 675 63 63 CYS HB2 H 3.549 0.02 1 676 63 63 CYS HB3 H 2.973 0.02 1 677 63 63 CYS C C 177.376 0.2 1 678 63 63 CYS CA C 52.159 0.2 1 679 63 63 CYS CB C 40.435 0.2 1 680 63 63 CYS N N 120.507 0.1 1 681 64 64 LYS H H 11.035 0.02 1 682 64 64 LYS HA H 4.044 0.02 1 683 64 64 LYS HB2 H 1.959 0.02 1 684 64 64 LYS HB3 H 1.841 0.02 1 685 64 64 LYS HG2 H 1.585 0.02 1 686 64 64 LYS HG3 H 1.585 0.02 1 687 64 64 LYS C C 177.418 0.2 1 688 64 64 LYS CA C 60.081 0.2 1 689 64 64 LYS CB C 31.794 0.2 1 690 64 64 LYS CG C 24.793 0.2 1 691 64 64 LYS CD C 29.256 0.2 1 692 64 64 LYS CE C 41.82 0.2 1 693 64 64 LYS N N 128.314 0.1 1 694 65 65 ASN H H 8.075 0.02 1 695 65 65 ASN HA H 4.588 0.02 1 696 65 65 ASN HB2 H 3.232 0.02 1 697 65 65 ASN HB3 H 2.794 0.02 1 698 65 65 ASN HD21 H 6.543 0.02 1 699 65 65 ASN HD22 H 7.308 0.02 1 700 65 65 ASN C C 176.394 0.2 1 701 65 65 ASN CA C 52.548 0.2 1 702 65 65 ASN CB C 37.473 0.2 1 703 65 65 ASN N N 114.188 0.1 1 704 66 66 GLY H H 8.004 0.02 1 705 66 66 GLY HA2 H 4.438 0.02 1 706 66 66 GLY HA3 H 3.584 0.02 1 707 66 66 GLY C C 174.64 0.2 1 708 66 66 GLY CA C 44.848 0.2 1 709 66 66 GLY N N 108.299 0.1 1 710 67 67 ASP H H 8.052 0.02 1 711 67 67 ASP HA H 4.556 0.02 1 712 67 67 ASP HB2 H 2.755 0.02 1 713 67 67 ASP HB3 H 2.755 0.02 1 714 67 67 ASP C C 176.392 0.2 1 715 67 67 ASP CA C 54.367 0.2 1 716 67 67 ASP CB C 40.327 0.2 1 717 67 67 ASP N N 121.065 0.1 1 718 68 68 LYS H H 8.775 0.02 1 719 68 68 LYS HA H 4.681 0.02 1 720 68 68 LYS HB2 H 1.984 0.02 1 721 68 68 LYS HB3 H 1.698 0.02 1 722 68 68 LYS HG2 H 1.289 0.02 1 723 68 68 LYS HG3 H 1.469 0.02 1 724 68 68 LYS C C 175.146 0.2 1 725 68 68 LYS CA C 55.066 0.2 1 726 68 68 LYS CB C 31.067 0.2 1 727 68 68 LYS CG C 25.184 0.2 1 728 68 68 LYS CD C 28.865 0.2 1 729 68 68 LYS CE C 42.112 0.2 1 730 68 68 LYS N N 122.572 0.1 1 731 69 69 ASN H H 7.815 0.02 1 732 69 69 ASN HA H 5.012 0.02 1 733 69 69 ASN HB2 H 3.285 0.02 1 734 69 69 ASN HB3 H 2.966 0.02 1 735 69 69 ASN HD21 H 7.453 0.02 1 736 69 69 ASN HD22 H 6.881 0.02 1 737 69 69 ASN C C 174.408 0.2 1 738 69 69 ASN CA C 52.047 0.2 1 739 69 69 ASN CB C 38.402 0.2 1 740 69 69 ASN N N 116.068 0.1 1 741 70 70 CYS H H 7.801 0.02 1 742 70 70 CYS HA H 5.735 0.02 1 743 70 70 CYS HB2 H 2.821 0.02 1 744 70 70 CYS HB3 H 2.617 0.02 1 745 70 70 CYS C C 173.531 0.2 1 746 70 70 CYS CA C 60.81 0.2 1 747 70 70 CYS CB C 44.101 0.2 1 748 70 70 CYS N N 117.368 0.1 1 749 71 71 HIS H H 8.377 0.02 1 750 71 71 HIS HA H 4.508 0.02 1 751 71 71 HIS HB2 H 3.446 0.02 1 752 71 71 HIS HB3 H 2.42 0.02 1 753 71 71 HIS HD2 H 7.107 0.02 1 754 71 71 HIS HE1 H 8.49 0.02 1 755 71 71 HIS C C 172.075 0.2 1 756 71 71 HIS CA C 55.42 0.2 1 757 71 71 HIS CB C 32.898 0.2 1 758 71 71 HIS N N 116.074 0.1 1 759 72 72 GLN H H 9.278 0.02 1 760 72 72 GLN HA H 4.923 0.02 1 761 72 72 GLN HB2 H 2.01 0.02 1 762 72 72 GLN HB3 H 1.797 0.02 1 763 72 72 GLN HG2 H 2.848 0.02 1 764 72 72 GLN HG3 H 1.91 0.02 1 765 72 72 GLN HE21 H 6.608 0.02 1 766 72 72 GLN HE22 H 7.452 0.02 1 767 72 72 GLN C C 175.403 0.2 1 768 72 72 GLN CA C 54.308 0.2 1 769 72 72 GLN CB C 30.056 0.2 1 770 72 72 GLN CG C 33.199 0.2 1 771 72 72 GLN N N 126.761 0.1 1 772 73 73 SER H H 8.6 0.02 1 773 73 73 SER HA H 3.983 0.02 1 774 73 73 SER HB2 H 2.319 0.02 1 775 73 73 SER HB3 H 2.319 0.02 1 776 73 73 SER C C 174.412 0.2 1 777 73 73 SER CA C 58.935 0.2 1 778 73 73 SER CB C 63.733 0.2 1 779 73 73 SER N N 120.799 0.1 1 780 74 74 HIS H H 9.21 0.02 1 781 74 74 HIS HA H 4.46 0.02 1 782 74 74 HIS HB2 H 3.269 0.02 1 783 74 74 HIS HB3 H 3.269 0.02 1 784 74 74 HIS HD2 H 7.403 0.02 1 785 74 74 HIS C C 174.579 0.2 1 786 74 74 HIS CA C 57.415 0.2 1 787 74 74 HIS CB C 27.839 0.2 1 788 74 74 HIS N N 121.102 0.1 1 789 75 75 GLY H H 7.579 0.02 1 790 75 75 GLY HA2 H 4.005 0.02 1 791 75 75 GLY HA3 H 4.106 0.02 1 792 75 75 GLY C C 170.769 0.2 1 793 75 75 GLY CA C 44.106 0.2 1 794 75 75 GLY N N 105.558 0.1 1 795 76 76 PRO HA H 4.208 0.02 1 796 76 76 PRO HB2 H 1.951 0.02 1 797 76 76 PRO HB3 H 1.649 0.02 1 798 76 76 PRO HG2 H 2.007 0.02 1 799 76 76 PRO HG3 H 2.007 0.02 1 800 76 76 PRO C C 176.193 0.2 1 801 76 76 PRO CA C 62.316 0.2 1 802 76 76 PRO CB C 32.059 0.2 1 803 76 76 PRO CG C 26.592 0.2 1 804 76 76 PRO CD C 49.251 0.2 1 805 77 77 VAL H H 8.464 0.02 1 806 77 77 VAL HA H 4.722 0.02 1 807 77 77 VAL HB H 2.355 0.02 1 808 77 77 VAL HG1 H 1.123 0.02 1 809 77 77 VAL HG2 H 1.044 0.02 1 810 77 77 VAL C C 173.691 0.2 1 811 77 77 VAL CA C 58.81 0.2 1 812 77 77 VAL CB C 35.483 0.2 1 813 77 77 VAL CG1 C 21.691 0.2 1 814 77 77 VAL CG2 C 19.221 0.2 1 815 77 77 VAL N N 115.617 0.1 1 816 78 78 SER H H 8.269 0.02 1 817 78 78 SER HA H 4.955 0.02 1 818 78 78 SER HB2 H 4.115 0.02 1 819 78 78 SER HB3 H 4.115 0.02 1 820 78 78 SER C C 174.021 0.2 1 821 78 78 SER CA C 58.295 0.2 1 822 78 78 SER CB C 63.354 0.2 1 823 78 78 SER N N 114.458 0.1 1 824 79 79 LEU H H 9.286 0.02 1 825 79 79 LEU HA H 4.977 0.02 1 826 79 79 LEU HB2 H 1.751 0.02 1 827 79 79 LEU HB3 H 1.527 0.02 1 828 79 79 LEU HG H 0.752 0.02 1 829 79 79 LEU HD1 H 0.837 0.02 1 830 79 79 LEU HD2 H 2.1 0.02 1 831 79 79 LEU C C 176.65 0.2 1 832 79 79 LEU CA C 54.059 0.2 1 833 79 79 LEU CB C 45.711 0.2 1 834 79 79 LEU CG C 27.444 0.2 1 835 79 79 LEU CD1 C 25.388 0.2 1 836 79 79 LEU CD2 C 25.388 0.2 1 837 79 79 LEU N N 125.052 0.1 1 838 80 80 THR H H 9.016 0.02 1 839 80 80 THR HA H 5.279 0.02 1 840 80 80 THR HB H 4.194 0.02 1 841 80 80 THR HG2 H 1.476 0.02 1 842 80 80 THR C C 172.789 0.2 1 843 80 80 THR CA C 61.837 0.2 1 844 80 80 THR CB C 72.706 0.2 1 845 80 80 THR CG2 C 23.427 0.2 1 846 80 80 THR N N 117.343 0.1 1 847 81 81 MET H H 9.447 0.02 1 848 81 81 MET HA H 5.168 0.02 1 849 81 81 MET HB2 H 2.021 0.02 1 850 81 81 MET HB3 H 2.021 0.02 1 851 81 81 MET HG2 H 2.577 0.02 1 852 81 81 MET HG3 H 2.527 0.02 1 853 81 81 MET C C 175.128 0.2 1 854 81 81 MET CA C 54.564 0.2 1 855 81 81 MET CB C 34.296 0.2 1 856 81 81 MET CG C 31.952 0.2 1 857 81 81 MET N N 126.656 0.1 1 858 82 82 CYS H H 9.039 0.02 1 859 82 82 CYS HA H 5.68 0.02 1 860 82 82 CYS HB2 H 2.74 0.02 1 861 82 82 CYS HB3 H 2.74 0.02 1 862 82 82 CYS C C 173.003 0.2 1 863 82 82 CYS CA C 52.436 0.2 1 864 82 82 CYS CB C 39.685 0.2 1 865 82 82 CYS N N 122.736 0.1 1 866 83 83 LYS H H 9.111 0.02 1 867 83 83 LYS HA H 5.326 0.02 1 868 83 83 LYS HB2 H 1.947 0.02 1 869 83 83 LYS HB3 H 1.756 0.02 1 870 83 83 LYS HG2 H 1.486 0.02 1 871 83 83 LYS HG3 H 1.486 0.02 1 872 83 83 LYS HD2 H 1.923 0.02 1 873 83 83 LYS HD3 H 1.923 0.02 1 874 83 83 LYS HE2 H 3.27 0.02 1 875 83 83 LYS HE3 H 3.27 0.02 1 876 83 83 LYS C C 175.024 0.2 1 877 83 83 LYS CA C 54.302 0.2 1 878 83 83 LYS CB C 35.74 0.2 1 879 83 83 LYS CG C 25.036 0.2 1 880 83 83 LYS CD C 28.938 0.2 1 881 83 83 LYS CE C 42.404 0.2 1 882 83 83 LYS N N 125.924 0.1 1 883 84 84 LEU H H 9.371 0.02 1 884 84 84 LEU HA H 3.648 0.02 1 885 84 84 LEU HB2 H 1.975 0.02 1 886 84 84 LEU HB3 H 1.679 0.02 1 887 84 84 LEU HG H 1.247 0.02 1 888 84 84 LEU HD1 H 0.485 0.02 1 889 84 84 LEU HD2 H 0.781 0.02 1 890 84 84 LEU C C 177.001 0.2 1 891 84 84 LEU CA C 56.308 0.2 1 892 84 84 LEU CB C 43.267 0.2 1 893 84 84 LEU CG C 26.543 0.2 1 894 84 84 LEU CD1 C 23.096 0.2 1 895 84 84 LEU CD2 C 26.174 0.2 1 896 84 84 LEU N N 132.422 0.1 1 897 85 85 THR H H 9.466 0.02 1 898 85 85 THR HA H 4.603 0.02 1 899 85 85 THR HB H 4.127 0.02 1 900 85 85 THR HG2 H 1.234 0.02 1 901 85 85 THR C C 174.633 0.2 1 902 85 85 THR CA C 61.942 0.2 1 903 85 85 THR CB C 69.612 0.2 1 904 85 85 THR CG2 C 22.008 0.2 1 905 85 85 THR N N 120.316 0.1 1 906 86 86 SER H H 7.641 0.02 1 907 86 86 SER HA H 4.548 0.02 1 908 86 86 SER HB2 H 3.997 0.02 1 909 86 86 SER HB3 H 3.908 0.02 1 910 86 86 SER C C 172.29 0.2 1 911 86 86 SER CA C 58.455 0.2 1 912 86 86 SER CB C 64.325 0.2 1 913 86 86 SER N N 114.356 0.1 1 914 87 87 GLY H H 8.207 0.02 1 915 87 87 GLY HA2 H 4.831 0.02 1 916 87 87 GLY HA3 H 3.877 0.02 1 917 87 87 GLY C C 172.646 0.2 1 918 87 87 GLY CA C 44.704 0.2 1 919 87 87 GLY N N 106.671 0.1 1 920 88 88 LYS H H 7.534 0.02 1 921 88 88 LYS HA H 4.582 0.02 1 922 88 88 LYS HB2 H 1.839 0.02 1 923 88 88 LYS HB3 H 1.755 0.02 1 924 88 88 LYS HG2 H 1.494 0.02 1 925 88 88 LYS HG3 H 1.494 0.02 1 926 88 88 LYS HD2 H 1.759 0.02 1 927 88 88 LYS HD3 H 1.759 0.02 1 928 88 88 LYS C C 175.271 0.2 1 929 88 88 LYS CA C 54.432 0.2 1 930 88 88 LYS CB C 34.678 0.2 1 931 88 88 LYS CG C 24.44 0.2 1 932 88 88 LYS CD C 29.145 0.2 1 933 88 88 LYS CE C 42.12 0.2 1 934 88 88 LYS N N 118.193 0.1 1 935 89 89 TYR H H 8.899 0.02 1 936 89 89 TYR HD1 H 6.886 0.02 1 937 89 89 TYR HD2 H 6.886 0.02 1 938 89 89 TYR HE1 H 6.753 0.02 1 939 89 89 TYR HE2 H 6.753 0.02 1 940 89 89 TYR C C 174.497 0.2 1 941 89 89 TYR CA C 58.467 0.2 1 942 89 89 TYR CB C 39.018 0.2 1 943 89 89 TYR N N 128.086 0.1 1 944 90 90 PRO HA H 3.084 0.02 1 945 90 90 PRO HB2 H 1.949 0.02 1 946 90 90 PRO HB3 H 1.224 0.02 1 947 90 90 PRO HG2 H 1.814 0.02 1 948 90 90 PRO HG3 H 1.49 0.02 1 949 90 90 PRO HD2 H 3.408 0.02 1 950 90 90 PRO HD3 H 3.408 0.02 1 951 90 90 PRO C C 175.987 0.2 1 952 90 90 PRO CA C 63.43 0.2 1 953 90 90 PRO CB C 33.788 0.2 1 954 90 90 PRO CG C 23.964 0.2 1 955 90 90 PRO CD C 49.617 0.2 1 956 91 91 ASN H H 8.777 0.02 1 957 91 91 ASN HA H 4.905 0.02 1 958 91 91 ASN HB2 H 2.87 0.02 1 959 91 91 ASN HB3 H 2.784 0.02 1 960 91 91 ASN HD21 H 7.003 0.02 1 961 91 91 ASN HD22 H 7.737 0.02 1 962 91 91 ASN C C 173.165 0.2 1 963 91 91 ASN CA C 52.785 0.2 1 964 91 91 ASN CB C 37.821 0.2 1 965 91 91 ASN N N 129.734 0.1 1 966 92 92 CYS H H 7.271 0.02 1 967 92 92 CYS HA H 4.381 0.02 1 968 92 92 CYS HB2 H 3.15 0.02 1 969 92 92 CYS HB3 H 2.979 0.02 1 970 92 92 CYS C C 173.93 0.2 1 971 92 92 CYS CA C 53.287 0.2 1 972 92 92 CYS CB C 40.456 0.2 1 973 92 92 CYS N N 119.09 0.1 1 974 93 93 ARG H H 8.497 0.02 1 975 93 93 ARG HA H 4.805 0.02 1 976 93 93 ARG HB2 H 1.826 0.02 1 977 93 93 ARG HB3 H 1.826 0.02 1 978 93 93 ARG HG2 H 1.534 0.02 1 979 93 93 ARG HG3 H 1.534 0.02 1 980 93 93 ARG HD2 H 3.123 0.02 1 981 93 93 ARG HD3 H 3.123 0.02 1 982 93 93 ARG C C 174.216 0.2 1 983 93 93 ARG CA C 55.267 0.2 1 984 93 93 ARG CB C 31.219 0.2 1 985 93 93 ARG CG C 26.928 0.2 1 986 93 93 ARG CD C 43.006 0.2 1 987 93 93 ARG N N 125.274 0.1 1 988 94 94 TYR H H 9.522 0.02 1 989 94 94 TYR HA H 5.106 0.02 1 990 94 94 TYR HB2 H 2.74 0.02 1 991 94 94 TYR HB3 H 2.74 0.02 1 992 94 94 TYR HD1 H 7.266 0.02 1 993 94 94 TYR HD2 H 7.266 0.02 1 994 94 94 TYR HE1 H 6.485 0.02 1 995 94 94 TYR HE2 H 6.485 0.02 1 996 94 94 TYR C C 176.104 0.2 1 997 94 94 TYR CA C 58.283 0.2 1 998 94 94 TYR CB C 42.452 0.2 1 999 94 94 TYR N N 121.018 0.1 1 1000 95 95 LYS H H 9.522 0.02 1 1001 95 95 LYS HA H 4.8 0.02 1 1002 95 95 LYS HB2 H 1.911 0.02 1 1003 95 95 LYS HB3 H 1.911 0.02 1 1004 95 95 LYS HG2 H 1.529 0.02 1 1005 95 95 LYS HG3 H 1.529 0.02 1 1006 95 95 LYS HD2 H 1.796 0.02 1 1007 95 95 LYS HD3 H 1.796 0.02 1 1008 95 95 LYS C C 174.936 0.2 1 1009 95 95 LYS CA C 55.022 0.2 1 1010 95 95 LYS CB C 34.608 0.2 1 1011 95 95 LYS CG C 24.805 0.2 1 1012 95 95 LYS CD C 29.305 0.2 1 1013 95 95 LYS CE C 42.023 0.2 1 1014 95 95 LYS N N 122.629 0.1 1 1015 96 96 GLU H H 8.703 0.02 1 1016 96 96 GLU HA H 5.347 0.02 1 1017 96 96 GLU HB2 H 2.105 0.02 1 1018 96 96 GLU HB3 H 2.105 0.02 1 1019 96 96 GLU HG2 H 2.42 0.02 1 1020 96 96 GLU HG3 H 2.201 0.02 1 1021 96 96 GLU C C 175.821 0.2 1 1022 96 96 GLU CA C 55.302 0.2 1 1023 96 96 GLU CB C 33.526 0.2 1 1024 96 96 GLU CG C 36.275 0.2 1 1025 96 96 GLU N N 126.116 0.1 1 1026 97 97 LYS H H 8.84 0.02 1 1027 97 97 LYS HA H 4.807 0.02 1 1028 97 97 LYS HB2 H 1.865 0.02 1 1029 97 97 LYS HB3 H 1.865 0.02 1 1030 97 97 LYS HG2 H 1.46 0.02 1 1031 97 97 LYS HG3 H 1.46 0.02 1 1032 97 97 LYS HD2 H 1.794 0.02 1 1033 97 97 LYS HD3 H 1.794 0.02 1 1034 97 97 LYS C C 174.813 0.2 1 1035 97 97 LYS CA C 55.392 0.2 1 1036 97 97 LYS CB C 35.616 0.2 1 1037 97 97 LYS CG C 24.751 0.2 1 1038 97 97 LYS CD C 29.05 0.2 1 1039 97 97 LYS CE C 41.976 0.2 1 1040 97 97 LYS N N 125.044 0.1 1 1041 98 98 ARG H H 9.05 0.02 1 1042 98 98 ARG HA H 5.327 0.02 1 1043 98 98 ARG HB2 H 2.036 0.02 1 1044 98 98 ARG HB3 H 1.974 0.02 1 1045 98 98 ARG HG2 H 1.832 0.02 1 1046 98 98 ARG HG3 H 1.832 0.02 1 1047 98 98 ARG HD2 H 3.273 0.02 1 1048 98 98 ARG HD3 H 3.273 0.02 1 1049 98 98 ARG C C 176.061 0.2 1 1050 98 98 ARG CA C 55.442 0.2 1 1051 98 98 ARG CB C 30.658 0.2 1 1052 98 98 ARG CG C 27.177 0.2 1 1053 98 98 ARG CD C 43.182 0.2 1 1054 98 98 ARG N N 127.954 0.1 1 1055 99 99 GLN H H 8.819 0.02 1 1056 99 99 GLN HA H 4.89 0.02 1 1057 99 99 GLN HB2 H 2.361 0.02 1 1058 99 99 GLN HB3 H 2.125 0.02 1 1059 99 99 GLN HG2 H 1.85 0.02 1 1060 99 99 GLN HG3 H 1.85 0.02 1 1061 99 99 GLN HE21 H 7.452 0.02 1 1062 99 99 GLN HE22 H 6.873 0.02 1 1063 99 99 GLN C C 173.419 0.2 1 1064 99 99 GLN CA C 54.438 0.2 1 1065 99 99 GLN CB C 34.044 0.2 1 1066 99 99 GLN CG C 33.844 0.2 1 1067 99 99 GLN N N 121.238 0.1 1 1068 100 100 ASN H H 8.693 0.02 1 1069 100 100 ASN HA H 5.803 0.02 1 1070 100 100 ASN HB2 H 2.664 0.02 1 1071 100 100 ASN HB3 H 2.519 0.02 1 1072 100 100 ASN HD21 H 6.748 0.02 1 1073 100 100 ASN HD22 H 7.419 0.02 1 1074 100 100 ASN C C 174.784 0.2 1 1075 100 100 ASN CA C 52.537 0.2 1 1076 100 100 ASN CB C 39.304 0.2 1 1077 100 100 ASN N N 121.513 0.1 1 1078 101 101 LYS H H 8.616 0.02 1 1079 101 101 LYS HA H 4.904 0.02 1 1080 101 101 LYS HB2 H 2.304 0.02 1 1081 101 101 LYS HB3 H 1.61 0.02 1 1082 101 101 LYS HG2 H 1.387 0.02 1 1083 101 101 LYS HG3 H 1.387 0.02 1 1084 101 101 LYS HD2 H 1.792 0.02 1 1085 101 101 LYS HD3 H 1.792 0.02 1 1086 101 101 LYS HE2 H 2.581 0.02 1 1087 101 101 LYS HE3 H 2.581 0.02 1 1088 101 101 LYS C C 176.598 0.2 1 1089 101 101 LYS CA C 54.306 0.2 1 1090 101 101 LYS CB C 39.182 0.2 1 1091 101 101 LYS CG C 25.573 0.2 1 1092 101 101 LYS CD C 29.014 0.2 1 1093 101 101 LYS CE C 42.213 0.2 1 1094 101 101 LYS N N 121.968 0.1 1 1095 102 102 SER H H 8.774 0.02 1 1096 102 102 SER HA H 4.549 0.02 1 1097 102 102 SER HB2 H 3.679 0.02 1 1098 102 102 SER HB3 H 3.621 0.02 1 1099 102 102 SER C C 171.681 0.2 1 1100 102 102 SER CA C 59.311 0.2 1 1101 102 102 SER CB C 63.398 0.2 1 1102 102 102 SER N N 117.516 0.1 1 1103 103 103 TYR H H 7.737 0.02 1 1104 103 103 TYR HA H 5.409 0.02 1 1105 103 103 TYR HB2 H 3.027 0.02 1 1106 103 103 TYR HB3 H 2.681 0.02 1 1107 103 103 TYR HD1 H 6.927 0.02 1 1108 103 103 TYR HD2 H 6.927 0.02 1 1109 103 103 TYR HE1 H 6.752 0.02 1 1110 103 103 TYR HE2 H 6.752 0.02 1 1111 103 103 TYR C C 172.093 0.2 1 1112 103 103 TYR CA C 55.304 0.2 1 1113 103 103 TYR CB C 41.488 0.2 1 1114 103 103 TYR N N 114.24 0.1 1 1115 104 104 VAL H H 8.665 0.02 1 1116 104 104 VAL HA H 5.15 0.02 1 1117 104 104 VAL HB H 1.968 0.02 1 1118 104 104 VAL HG1 H 0.917 0.02 1 1119 104 104 VAL HG2 H 0.758 0.02 1 1120 104 104 VAL C C 176.659 0.2 1 1121 104 104 VAL CA C 60.252 0.2 1 1122 104 104 VAL CB C 34.613 0.2 1 1123 104 104 VAL CG1 C 22.935 0.2 1 1124 104 104 VAL CG2 C 20.813 0.2 1 1125 104 104 VAL N N 118.748 0.1 1 1126 105 105 VAL H H 8.899 0.02 1 1127 105 105 VAL HA H 5.422 0.02 1 1128 105 105 VAL HB H 2.068 0.02 1 1129 105 105 VAL HG1 H 1.089 0.02 1 1130 105 105 VAL HG2 H 0.897 0.02 1 1131 105 105 VAL C C 174.531 0.2 1 1132 105 105 VAL CA C 57.838 0.2 1 1133 105 105 VAL CB C 34.694 0.2 1 1134 105 105 VAL CG1 C 22.836 0.2 1 1135 105 105 VAL CG2 C 18.474 0.2 1 1136 105 105 VAL N N 118.16 0.1 1 1137 106 106 ALA H H 8.756 0.02 1 1138 106 106 ALA HA H 5.314 0.02 1 1139 106 106 ALA HB H 1.574 0.02 1 1140 106 106 ALA C C 178.123 0.2 1 1141 106 106 ALA CA C 51.242 0.2 1 1142 106 106 ALA CB C 20.806 0.2 1 1143 106 106 ALA N N 124.799 0.1 1 1144 107 107 CYS H H 8.676 0.02 1 1145 107 107 CYS HA H 6.011 0.02 1 1146 107 107 CYS HB2 H 3.521 0.02 1 1147 107 107 CYS HB3 H 2.62 0.02 1 1148 107 107 CYS C C 172.734 0.2 1 1149 107 107 CYS CA C 55.265 0.2 1 1150 107 107 CYS CB C 50.333 0.2 1 1151 107 107 CYS N N 117.842 0.1 1 1152 108 108 LYS H H 8.947 0.02 1 1153 108 108 LYS HA H 4.924 0.02 1 1154 108 108 LYS HB2 H 2.041 0.02 1 1155 108 108 LYS HB3 H 1.692 0.02 1 1156 108 108 LYS HG2 H 1.528 0.02 1 1157 108 108 LYS HG3 H 1.528 0.02 1 1158 108 108 LYS C C 172.529 0.2 1 1159 108 108 LYS CA C 54.362 0.2 1 1160 108 108 LYS CB C 35.866 0.2 1 1161 108 108 LYS CG C 25.17 0.2 1 1162 108 108 LYS N N 122.692 0.1 1 1163 110 110 PRO HA H 4.45 0.02 1 1164 110 110 PRO HB2 H 2.301 0.02 1 1165 110 110 PRO HB3 H 2.301 0.02 1 1166 110 110 PRO HG2 H 2.13 0.02 1 1167 110 110 PRO HG3 H 2.13 0.02 1 1168 110 110 PRO HD2 H 3.879 0.02 1 1169 110 110 PRO HD3 H 3.879 0.02 1 1170 110 110 PRO C C 177.075 0.2 1 1171 110 110 PRO CA C 62.689 0.2 1 1172 110 110 PRO CB C 32.619 0.2 1 1173 110 110 PRO CG C 27.326 0.2 1 1174 110 110 PRO CD C 51.057 0.2 1 1175 111 111 GLN H H 9.389 0.02 1 1176 111 111 GLN HA H 4.458 0.02 1 1177 111 111 GLN HB2 H 2.525 0.02 1 1178 111 111 GLN HB3 H 2.046 0.02 1 1179 111 111 GLN HG2 H 2.676 0.02 1 1180 111 111 GLN HG3 H 2.676 0.02 1 1181 111 111 GLN HE21 H 7.086 0.02 1 1182 111 111 GLN HE22 H 7.706 0.02 1 1183 111 111 GLN C C 177.6 0.2 1 1184 111 111 GLN CA C 55.397 0.2 1 1185 111 111 GLN CB C 30.137 0.2 1 1186 111 111 GLN CG C 35.164 0.2 1 1187 111 111 GLN N N 120.881 0.1 1 1188 112 112 LYS H H 8.506 0.02 1 1189 112 112 LYS HA H 4.118 0.02 1 1190 112 112 LYS HB2 H 1.93 0.02 1 1191 112 112 LYS HB3 H 1.93 0.02 1 1192 112 112 LYS HG2 H 1.537 0.02 1 1193 112 112 LYS HG3 H 1.537 0.02 1 1194 112 112 LYS HD2 H 1.751 0.02 1 1195 112 112 LYS HD3 H 1.751 0.02 1 1196 112 112 LYS HE2 H 3.065 0.02 1 1197 112 112 LYS HE3 H 3.065 0.02 1 1198 112 112 LYS C C 177.796 0.2 1 1199 112 112 LYS CA C 59.257 0.2 1 1200 112 112 LYS CB C 32.289 0.2 1 1201 112 112 LYS CG C 24.922 0.2 1 1202 112 112 LYS CD C 28.907 0.2 1 1203 112 112 LYS CE C 42.08 0.2 1 1204 112 112 LYS N N 121.598 0.1 1 1205 113 113 LYS H H 7.934 0.02 1 1206 113 113 LYS HA H 4.308 0.02 1 1207 113 113 LYS HB2 H 1.978 0.02 1 1208 113 113 LYS HB3 H 1.745 0.02 1 1209 113 113 LYS HG2 H 1.498 0.02 1 1210 113 113 LYS HG3 H 1.498 0.02 1 1211 113 113 LYS HD2 H 1.732 0.02 1 1212 113 113 LYS HD3 H 1.732 0.02 1 1213 113 113 LYS HE2 H 3.054 0.02 1 1214 113 113 LYS HE3 H 3.054 0.02 1 1215 113 113 LYS C C 177.008 0.2 1 1216 113 113 LYS CA C 56.868 0.2 1 1217 113 113 LYS CB C 32.121 0.2 1 1218 113 113 LYS CG C 25.319 0.2 1 1219 113 113 LYS CD C 28.899 0.2 1 1220 113 113 LYS CE C 42.023 0.2 1 1221 113 113 LYS N N 114.584 0.1 1 1222 114 114 ASP H H 7.694 0.02 1 1223 114 114 ASP HA H 4.83 0.02 1 1224 114 114 ASP HB2 H 2.988 0.02 1 1225 114 114 ASP HB3 H 2.988 0.02 1 1226 114 114 ASP C C 176.712 0.2 1 1227 114 114 ASP CA C 54.624 0.2 1 1228 114 114 ASP CB C 42.61 0.2 1 1229 114 114 ASP N N 118.913 0.1 1 1230 115 115 SER H H 8.326 0.02 1 1231 115 115 SER HA H 4.449 0.02 1 1232 115 115 SER HB2 H 4.149 0.02 1 1233 115 115 SER HB3 H 3.993 0.02 1 1234 115 115 SER C C 175.541 0.2 1 1235 115 115 SER CA C 58.995 0.2 1 1236 115 115 SER CB C 63.457 0.2 1 1237 115 115 SER N N 114.08 0.1 1 1238 116 116 GLN H H 8.53 0.02 1 1239 116 116 GLN HA H 4.33 0.02 1 1240 116 116 GLN HB2 H 2.374 0.02 1 1241 116 116 GLN HB3 H 1.883 0.02 1 1242 116 116 GLN HG2 H 2.424 0.02 1 1243 116 116 GLN HG3 H 2.424 0.02 1 1244 116 116 GLN HE21 H 6.454 0.02 1 1245 116 116 GLN HE22 H 7.331 0.02 1 1246 116 116 GLN C C 176.071 0.2 1 1247 116 116 GLN CA C 54.785 0.2 1 1248 116 116 GLN CB C 28.455 0.2 1 1249 116 116 GLN CG C 33.702 0.2 1 1250 116 116 GLN N N 121.439 0.1 1 1251 117 117 GLN H H 8.077 0.02 1 1252 117 117 GLN HA H 3.874 0.02 1 1253 117 117 GLN HB2 H 1.716 0.02 1 1254 117 117 GLN HB3 H 1.541 0.02 1 1255 117 117 GLN HG2 H 1.943 0.02 1 1256 117 117 GLN HG3 H 1.647 0.02 1 1257 117 117 GLN HE21 H 6.788 0.02 1 1258 117 117 GLN HE22 H 7.295 0.02 1 1259 117 117 GLN C C 175.209 0.2 1 1260 117 117 GLN CA C 57.676 0.2 1 1261 117 117 GLN CB C 28.618 0.2 1 1262 117 117 GLN CG C 32.969 0.2 1 1263 117 117 GLN N N 119.237 0.1 1 1264 118 118 PHE H H 7.707 0.02 1 1265 118 118 PHE HA H 4.78 0.02 1 1266 118 118 PHE HB2 H 3.246 0.02 1 1267 118 118 PHE HB3 H 2.655 0.02 1 1268 118 118 PHE HD1 H 7.295 0.02 1 1269 118 118 PHE HD2 H 7.295 0.02 1 1270 118 118 PHE HE1 H 7.391 0.02 1 1271 118 118 PHE HE2 H 7.391 0.02 1 1272 118 118 PHE C C 175.927 0.2 1 1273 118 118 PHE CA C 55.794 0.2 1 1274 118 118 PHE CB C 40.825 0.2 1 1275 118 118 PHE N N 115.96 0.1 1 1276 119 119 HIS H H 9.014 0.02 1 1277 119 119 HIS HA H 4.547 0.02 1 1278 119 119 HIS HB2 H 3.368 0.02 1 1279 119 119 HIS HB3 H 3.243 0.02 1 1280 119 119 HIS HD2 H 7.354 0.02 1 1281 119 119 HIS C C 174.164 0.2 1 1282 119 119 HIS CA C 56.812 0.2 1 1283 119 119 HIS CB C 28.438 0.2 1 1284 119 119 HIS N N 119.415 0.1 1 1285 120 120 LEU H H 7.322 0.02 1 1286 120 120 LEU HA H 4.54 0.02 1 1287 120 120 LEU HB2 H 1.439 0.02 1 1288 120 120 LEU HB3 H 0.971 0.02 1 1289 120 120 LEU HD1 H 0.774 0.02 1 1290 120 120 LEU HD2 H 0.795 0.02 1 1291 120 120 LEU C C 174.957 0.2 1 1292 120 120 LEU CA C 53.839 0.2 1 1293 120 120 LEU CB C 47.917 0.2 1 1294 120 120 LEU CG C 26.761 0.2 1 1295 120 120 LEU CD1 C 26.288 0.2 1 1296 120 120 LEU CD2 C 23.124 0.2 1 1297 120 120 LEU N N 115.574 0.1 1 1298 121 121 VAL H H 9.067 0.02 1 1299 121 121 VAL HA H 4.838 0.02 1 1300 121 121 VAL HB H 2.272 0.02 1 1301 121 121 VAL HG1 H 1.122 0.02 1 1302 121 121 VAL HG2 H 0.911 0.02 1 1303 121 121 VAL C C 173.097 0.2 1 1304 121 121 VAL CA C 56.849 0.2 1 1305 121 121 VAL CB C 33.693 0.2 1 1306 121 121 VAL CG1 C 23.64 0.2 1 1307 121 121 VAL CG2 C 17.872 0.2 1 1308 121 121 VAL N N 112.005 0.1 1 1309 122 122 PRO HA H 4.762 0.02 1 1310 122 122 PRO HB2 H 1.106 0.02 1 1311 122 122 PRO HB3 H 0.211 0.02 1 1312 122 122 PRO HG2 H 1.342 0.02 1 1313 122 122 PRO HG3 H 1.699 0.02 1 1314 122 122 PRO HD2 H 3.55 0.02 1 1315 122 122 PRO HD3 H 3.55 0.02 1 1316 122 122 PRO C C 176.312 0.2 1 1317 122 122 PRO CA C 61.483 0.2 1 1318 122 122 PRO CB C 30.503 0.2 1 1319 122 122 PRO CG C 28.052 0.2 1 1320 122 122 PRO CD C 49.383 0.2 1 1321 123 123 VAL H H 8.784 0.02 1 1322 123 123 VAL HA H 4.476 0.02 1 1323 123 123 VAL HB H 2.252 0.02 1 1324 123 123 VAL HG1 H 0.893 0.02 1 1325 123 123 VAL HG2 H 0.724 0.02 1 1326 123 123 VAL C C 175.575 0.2 1 1327 123 123 VAL CA C 60.786 0.2 1 1328 123 123 VAL CB C 34.035 0.2 1 1329 123 123 VAL CG1 C 23.059 0.2 1 1330 123 123 VAL CG2 C 18.267 0.2 1 1331 123 123 VAL N N 109.692 0.1 1 1332 124 124 HIS H H 7.386 0.02 1 1333 124 124 HIS HA H 5.598 0.02 1 1334 124 124 HIS HB2 H 3.423 0.02 1 1335 124 124 HIS HB3 H 3.229 0.02 1 1336 124 124 HIS HD2 H 7.317 0.02 1 1337 124 124 HIS HE1 H 8.673 0.02 1 1338 124 124 HIS C C 173.622 0.2 1 1339 124 124 HIS CA C 55.543 0.2 1 1340 124 124 HIS CB C 32.593 0.2 1 1341 124 124 HIS N N 116.522 0.1 1 1342 125 125 LEU H H 9.374 0.02 1 1343 125 125 LEU HA H 4.714 0.02 1 1344 125 125 LEU HB2 H 1.633 0.02 1 1345 125 125 LEU HB3 H 0.369 0.02 1 1346 125 125 LEU C C 173.568 0.2 1 1347 125 125 LEU CA C 54.422 0.2 1 1348 125 125 LEU CB C 40.792 0.2 1 1349 125 125 LEU CG C 27.2 0.2 1 1350 125 125 LEU CD1 C 23.831 0.2 1 1351 125 125 LEU CD2 C 25.687 0.2 1 1352 125 125 LEU N N 129.968 0.1 1 1353 126 126 ASP H H 8.945 0.02 1 1354 126 126 ASP HA H 4.505 0.02 1 1355 126 126 ASP HB2 H 2.492 0.02 1 1356 126 126 ASP HB3 H 2.393 0.02 1 1357 126 126 ASP C C 175.646 0.2 1 1358 126 126 ASP CA C 57.616 0.2 1 1359 126 126 ASP CB C 46.308 0.2 1 1360 126 126 ASP N N 130.523 0.1 1 1361 127 127 ARG H H 7.49 0.02 1 1362 127 127 ARG HA H 4.628 0.02 1 1363 127 127 ARG HB2 H 1.988 0.02 1 1364 127 127 ARG HB3 H 1.801 0.02 1 1365 127 127 ARG HG2 H 1.352 0.02 1 1366 127 127 ARG HG3 H 1.544 0.02 1 1367 127 127 ARG HD2 H 3.046 0.02 1 1368 127 127 ARG HD3 H 3.142 0.02 1 1369 127 127 ARG C C 173.295 0.2 1 1370 127 127 ARG CA C 55.341 0.2 1 1371 127 127 ARG CB C 32.592 0.2 1 1372 127 127 ARG CG C 26.125 0.2 1 1373 127 127 ARG CD C 44.202 0.2 1 1374 127 127 ARG N N 108.893 0.1 1 1375 128 128 VAL H H 8.203 0.02 1 1376 128 128 VAL HA H 4.608 0.02 1 1377 128 128 VAL HB H 1.993 0.02 1 1378 128 128 VAL HG1 H 0.886 0.02 1 1379 128 128 VAL HG2 H 0.992 0.02 1 1380 128 128 VAL C C 174.849 0.2 1 1381 128 128 VAL CA C 61.536 0.2 1 1382 128 128 VAL CB C 33.658 0.2 1 1383 128 128 VAL CG1 C 22.138 0.2 1 1384 128 128 VAL CG2 C 20.782 0.2 1 1385 128 128 VAL N N 119.005 0.1 1 1386 129 129 LEU H H 8.213 0.02 1 1387 129 129 LEU HA H 4.304 0.02 1 1388 129 129 LEU HB2 H 1.538 0.02 1 1389 129 129 LEU HB3 H 1.538 0.02 1 1390 129 129 LEU HG H 1.347 0.02 1 1391 129 129 LEU HD1 H 1.5 0.02 1 1392 129 129 LEU HD2 H 1.347 0.02 1 1393 129 129 LEU C C 180.084 0.2 1 1394 129 129 LEU CA C 57.096 0.2 1 1395 129 129 LEU CB C 42.65 0.2 1 1396 129 129 LEU CG C 27.412 0.2 1 1397 129 129 LEU CD1 C 24.45 0.2 1 1398 129 129 LEU CD2 C 21.566 0.2 1 1399 129 129 LEU N N 130.783 0.1 1 stop_ save_