data_5579 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Two Homologous Rat Cellular Retinol-binding Proteins Differ in Local Conformational Flexibility ; _BMRB_accession_number 5579 _BMRB_flat_file_name bmr5579.str _Entry_type original _Submission_date 2002-11-06 _Accession_date 2002-11-06 _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 Lu Jianyun . . 2 Cistola David P . 3 Li Ellen . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 806 "13C chemical shifts" 551 "15N chemical shifts" 143 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-07-25 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 5578 'Holo form.' stop_ _Original_release_date 2003-07-25 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Two Homologous Rat Cellular Retinol-binding Proteins Differ in Local Conformational Flexibility ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 22734647 _PubMed_ID 12850148 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lu Jianyun . . 2 Cistola David P. . 3 Li Ellen . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 330 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 799 _Page_last 812 _Year 2003 _Details . loop_ _Keyword 'cellular retinol-binding protein' 'vitamin A' NMR structure dynamics stop_ save_ ################################## # Molecular system description # ################################## save_system_apo-CRBP_I _Saveframe_category molecular_system _Mol_system_name 'rat cellular retinol-binding protein I, ligand free' _Abbreviation_common 'apo-CRBP I' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'apo-CRBP I' $CRBP_I stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'retinol transporter' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CRBP_I _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'rat cellular retinol-binding protein I' _Abbreviation_common 'CRBP I' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 134 _Mol_residue_sequence ; PVDFNGYWKMLSNENFEEYL RALDVNVALRKIANLLKPDK EIVQDGDHMIIRTLSTFRNY IMDFQVGKEFEEDLTGIDDR KCMTTVSWDGDKLQCVQKGE KEGRGWTQWIEGDELHLEMR AEGVTCKQVFKKVH ; loop_ _Residue_seq_code _Residue_label 1 PRO 2 VAL 3 ASP 4 PHE 5 ASN 6 GLY 7 TYR 8 TRP 9 LYS 10 MET 11 LEU 12 SER 13 ASN 14 GLU 15 ASN 16 PHE 17 GLU 18 GLU 19 TYR 20 LEU 21 ARG 22 ALA 23 LEU 24 ASP 25 VAL 26 ASN 27 VAL 28 ALA 29 LEU 30 ARG 31 LYS 32 ILE 33 ALA 34 ASN 35 LEU 36 LEU 37 LYS 38 PRO 39 ASP 40 LYS 41 GLU 42 ILE 43 VAL 44 GLN 45 ASP 46 GLY 47 ASP 48 HIS 49 MET 50 ILE 51 ILE 52 ARG 53 THR 54 LEU 55 SER 56 THR 57 PHE 58 ARG 59 ASN 60 TYR 61 ILE 62 MET 63 ASP 64 PHE 65 GLN 66 VAL 67 GLY 68 LYS 69 GLU 70 PHE 71 GLU 72 GLU 73 ASP 74 LEU 75 THR 76 GLY 77 ILE 78 ASP 79 ASP 80 ARG 81 LYS 82 CYS 83 MET 84 THR 85 THR 86 VAL 87 SER 88 TRP 89 ASP 90 GLY 91 ASP 92 LYS 93 LEU 94 GLN 95 CYS 96 VAL 97 GLN 98 LYS 99 GLY 100 GLU 101 LYS 102 GLU 103 GLY 104 ARG 105 GLY 106 TRP 107 THR 108 GLN 109 TRP 110 ILE 111 GLU 112 GLY 113 ASP 114 GLU 115 LEU 116 HIS 117 LEU 118 GLU 119 MET 120 ARG 121 ALA 122 GLU 123 GLY 124 VAL 125 THR 126 CYS 127 LYS 128 GLN 129 VAL 130 PHE 131 LYS 132 LYS 133 VAL 134 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 5048 CRBP-I 100.00 135 100.00 100.00 1.01e-93 BMRB 5319 CRBP-I 100.00 135 100.00 100.00 1.01e-93 BMRB 5330 CRBP-I 100.00 135 100.00 100.00 1.01e-93 BMRB 5331 CRBP-I 100.00 135 100.00 100.00 1.01e-93 BMRB 5578 CRBP_I 100.00 134 100.00 100.00 1.29e-93 PDB 1CRB "Crystallographic Studies On A Family Of Cellular Lipophilic Transport Proteins. Refinement Of P2 Myelin Protein And The Structu" 100.00 134 100.00 100.00 1.29e-93 PDB 1JBH "Solution Structure Of Cellular Retinol Binding Protein Type- I In The Ligand-Free State" 100.00 135 100.00 100.00 1.01e-93 PDB 1KGL "Solution Structure Of Cellular Retinol Binding Protein Type- I In Complex With All-Trans-Retinol" 100.00 135 100.00 100.00 1.01e-93 PDB 1MX7 "Two Homologous Rat Cellular Retinol-Binding Proteins Differ In Local Structure And Flexibility" 100.00 134 100.00 100.00 1.29e-93 PDB 1MX8 "Two Homologous Rat Cellular Retinol-Binding Proteins Differ In Local Structure And Flexibility" 100.00 134 100.00 100.00 1.29e-93 DBJ BAB27753 "unnamed protein product [Mus musculus]" 100.00 135 99.25 99.25 7.19e-93 EMBL CAA42919 "cellular retinol binding protein I [Mus musculus]" 100.00 135 99.25 99.25 7.19e-93 GB AAA35714 "retinol-binding protein, partial [Homo sapiens]" 89.55 121 98.33 98.33 8.91e-81 GB AAA40962 "cytosolic retinol-binding protein [Rattus norvegicus]" 100.00 135 100.00 100.00 1.01e-93 GB AAA42021 "cellular retinol binding protein [Rattus norvegicus]" 100.00 135 100.00 100.00 1.01e-93 GB AAH18254 "Retinol binding protein 1, cellular [Mus musculus]" 100.00 135 99.25 99.25 7.19e-93 GB AAH91751 "Rbp1 protein [Mus musculus]" 100.00 135 99.25 99.25 7.19e-93 REF NP_035384 "retinol-binding protein 1 [Mus musculus]" 100.00 135 99.25 99.25 7.19e-93 REF NP_036865 "retinol-binding protein 1 [Rattus norvegicus]" 100.00 135 100.00 100.00 1.01e-93 REF XP_005080789 "PREDICTED: retinol-binding protein 1 [Mesocricetus auratus]" 100.00 135 98.51 99.25 1.96e-92 REF XP_005366741 "PREDICTED: retinol-binding protein 1 [Microtus ochrogaster]" 100.00 135 97.76 99.25 5.92e-92 REF XP_006083819 "PREDICTED: retinol-binding protein 1 [Myotis lucifugus]" 100.00 135 97.01 97.76 5.93e-91 SP P02696 "RecName: Full=Retinol-binding protein 1; AltName: Full=Cellular retinol-binding protein; Short=CRBP; AltName: Full=Cellular ret" 100.00 135 100.00 100.00 1.01e-93 SP Q00915 "RecName: Full=Retinol-binding protein 1; AltName: Full=Cellular retinol-binding protein; Short=CRBP; AltName: Full=Cellular ret" 100.00 135 99.25 99.25 7.19e-93 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CRBP_I Rat 10116 Eukaryota Metazoa Rattus norvegicus 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 $CRBP_I 'recombinant technology' 'E. coli' Escherichia coli JM101 plasmid pMON 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 $CRBP_I 1.0 mM '[U-99% 15N; U-13C]' stop_ save_ save_Sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CRBP_I 1.0 mM '[U-80% 2H; U-99% 15N]' stop_ save_ save_Sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CRBP_I 1.0 mM '[U-99% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Saveframe_category software _Name FELIX _Version 2000 loop_ _Task 'automatic peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UNITYPLUS _Field_strength 500 _Details . save_ save_NMR_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UNITY _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCACONNH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONNH _Sample_label . save_ save_CBCACOCAHA_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACOCAHA _Sample_label . save_ save_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _Sample_label . save_ save_1H-15N_TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TOCSY' _Sample_label . save_ save_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C NOESY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONNH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACOCAHA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.4 0.2 n/a temperature 298 1 K stop_ save_ save_Ex-cond_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.2 n/a temperature 298 1 K 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 0.00 external direct cylindrical external parallel 1.0 DSS C 13 'methyl protons' ppm 0.00 external indirect cylindrical external parallel 0.25145000 'ammonium chloride' N 15 'ammonium nitrogen' ppm 0.00 external direct cylindrical external parallel 0.10132900 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'apo-CRBP I' _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 PRO HB2 H 1.37 0.02 . 2 . 1 PRO HB3 H 1.19 0.02 . 3 . 1 PRO HG2 H 1.65 0.02 . 4 . 1 PRO HG3 H 1.26 0.02 . 5 . 1 PRO HD2 H 3.18 0.02 . 6 . 1 PRO HD3 H 3.02 0.02 . 7 . 1 PRO C C 171.1 0.05 . 8 . 1 PRO CA C 62.6 0.05 . 9 . 1 PRO CB C 31.7 0.05 . 10 . 1 PRO CG C 25.6 0.05 . 11 . 1 PRO CD C 48.3 0.05 . 12 . 1 PRO HA H 3.06 0.02 . 13 . 2 VAL HG1 H 0.69 0.02 . 14 . 2 VAL HG2 H 0.63 0.02 . 15 . 2 VAL C C 173.2 0.05 . 16 . 2 VAL CA C 61.0 0.05 . 17 . 2 VAL CB C 34.4 0.05 . 18 . 2 VAL CG1 C 21.4 0.05 . 19 . 2 VAL CG2 C 19.7 0.05 . 20 . 2 VAL HA H 4.19 0.02 . 21 . 2 VAL HB H 1.92 0.02 . 22 . 2 VAL H H 7.00 0.02 . 23 . 2 VAL N N 121.9 0.05 . 24 . 3 ASP HB2 H 2.91 0.02 . 25 . 3 ASP HB3 H 2.47 0.02 . 26 . 3 ASP C C 176.7 0.05 . 27 . 3 ASP CA C 53.0 0.05 . 28 . 3 ASP CB C 41.8 0.05 . 29 . 3 ASP HA H 4.92 0.02 . 30 . 3 ASP H H 8.09 0.02 . 31 . 3 ASP N N 127.2 0.05 . 32 . 4 PHE HB2 H 3.37 0.02 . 33 . 4 PHE HB3 H 2.94 0.02 . 34 . 4 PHE C C 175.1 0.05 . 35 . 4 PHE CA C 58.7 0.05 . 36 . 4 PHE CB C 40.5 0.05 . 37 . 4 PHE HA H 4.65 0.02 . 38 . 4 PHE HD1 H 7.18 0.02 . 39 . 4 PHE HD2 H 7.18 0.02 . 40 . 4 PHE HE1 H 7.29 0.02 . 41 . 4 PHE HE2 H 7.29 0.02 . 42 . 4 PHE H H 9.84 0.02 . 43 . 4 PHE N N 127.1 0.05 . 44 . 5 ASN HB2 H 3.15 0.02 . 45 . 5 ASN HB3 H 2.50 0.02 . 46 . 5 ASN C C 176.9 0.05 . 47 . 5 ASN CA C 55.9 0.05 . 48 . 5 ASN CB C 39.9 0.05 . 49 . 5 ASN HA H 4.37 0.02 . 50 . 5 ASN HD21 H 9.60 0.02 . 51 . 5 ASN HD22 H 7.85 0.02 . 52 . 5 ASN H H 8.51 0.02 . 53 . 5 ASN N N 119.8 0.05 . 54 . 5 ASN ND2 N 125.2 0.05 . 55 . 6 GLY HA2 H 4.19 0.02 . 56 . 6 GLY HA3 H 3.83 0.02 . 57 . 6 GLY C C 169.8 0.05 . 58 . 6 GLY CA C 44.5 0.05 . 59 . 6 GLY H H 8.64 0.02 . 60 . 6 GLY N N 110.9 0.05 . 61 . 7 TYR HB2 H 2.71 0.02 . 62 . 7 TYR HB3 H 2.71 0.02 . 63 . 7 TYR C C 173.9 0.05 . 64 . 7 TYR CA C 57.2 0.05 . 65 . 7 TYR CB C 40.6 0.05 . 66 . 7 TYR HA H 4.96 0.02 . 67 . 7 TYR HD1 H 6.94 0.02 . 68 . 7 TYR HD2 H 6.94 0.02 . 69 . 7 TYR HE1 H 6.78 0.02 . 70 . 7 TYR HE2 H 6.78 0.02 . 71 . 7 TYR H H 8.42 0.02 . 72 . 7 TYR N N 126.3 0.05 . 73 . 8 TRP HB2 H 2.93 0.02 . 74 . 8 TRP HB3 H 2.68 0.02 . 75 . 8 TRP C C 175.0 0.05 . 76 . 8 TRP CA C 54.9 0.05 . 77 . 8 TRP CB C 30.4 0.05 . 78 . 8 TRP HA H 5.10 0.02 . 79 . 8 TRP HD1 H 6.91 0.02 . 80 . 8 TRP H H 9.16 0.02 . 81 . 8 TRP N N 132.1 0.05 . 82 . 9 LYS HB2 H 1.83 0.02 . 83 . 9 LYS HD2 H 1.75 0.02 . 84 . 9 LYS HE2 H 3.05 0.02 . 85 . 9 LYS HG2 H 1.57 0.02 . 86 . 9 LYS HB3 H 1.83 0.02 . 87 . 9 LYS HD3 H 1.75 0.02 . 88 . 9 LYS HE3 H 3.05 0.02 . 89 . 9 LYS HG3 H 1.57 0.02 . 90 . 9 LYS C C 177.5 0.05 . 91 . 9 LYS CA C 54.2 0.05 . 92 . 9 LYS CB C 35.1 0.05 . 93 . 9 LYS CD C 29.2 0.05 . 94 . 9 LYS CE C 41.6 0.05 . 95 . 9 LYS CG C 24.5 0.05 . 96 . 9 LYS HA H 5.27 0.02 . 97 . 9 LYS H H 9.26 0.02 . 98 . 9 LYS N N 127.6 0.05 . 99 . 10 MET HG2 H 2.47 0.02 . 100 . 10 MET HB2 H 1.95 0.02 . 101 . 10 MET HG3 H 1.54 0.02 . 102 . 10 MET HB3 H 1.50 0.02 . 103 . 10 MET C C 175.4 0.05 . 104 . 10 MET CA C 59.3 0.05 . 105 . 10 MET CG C 32.8 0.05 . 106 . 10 MET CB C 32.4 0.05 . 107 . 10 MET HA H 3.47 0.02 . 108 . 10 MET H H 8.65 0.02 . 109 . 10 MET N N 129.4 0.05 . 110 . 11 LEU HB2 H 1.36 0.02 . 111 . 11 LEU HD1 H 0.85 0.02 . 112 . 11 LEU HD2 H 0.81 0.02 . 113 . 11 LEU HB3 H 1.36 0.02 . 114 . 11 LEU C C 176.7 0.05 . 115 . 11 LEU CA C 55.2 0.05 . 116 . 11 LEU CB C 44.7 0.05 . 117 . 11 LEU CD1 C 24.8 0.05 . 118 . 11 LEU CD2 C 23.9 0.05 . 119 . 11 LEU CG C 26.8 0.05 . 120 . 11 LEU HA H 4.48 0.02 . 121 . 11 LEU HG H 1.49 0.02 . 122 . 11 LEU H H 9.64 0.02 . 123 . 11 LEU N N 131.0 0.05 . 124 . 12 SER HB2 H 3.74 0.02 . 125 . 12 SER HB3 H 3.50 0.02 . 126 . 12 SER C C 172.0 0.05 . 127 . 12 SER CA C 57.3 0.05 . 128 . 12 SER CB C 65.1 0.05 . 129 . 12 SER HA H 4.52 0.02 . 130 . 12 SER H H 7.71 0.02 . 131 . 12 SER N N 115.2 0.05 . 132 . 13 ASN HB2 H 3.07 0.02 . 133 . 13 ASN HB3 H 2.84 0.02 . 134 . 13 ASN C C 174.2 0.05 . 135 . 13 ASN CA C 52.5 0.05 . 136 . 13 ASN CB C 39.9 0.05 . 137 . 13 ASN HA H 4.97 0.02 . 138 . 13 ASN HD21 H 7.25 0.02 . 139 . 13 ASN HD22 H 4.45 0.02 . 140 . 13 ASN H H 8.41 0.02 . 141 . 13 ASN N N 123.1 0.05 . 142 . 13 ASN ND2 N 108.5 0.05 . 143 . 14 GLU HB2 H 2.16 0.02 . 144 . 14 GLU HG2 H 2.29 0.02 . 145 . 14 GLU HB3 H 2.16 0.02 . 146 . 14 GLU HG3 H 2.25 0.02 . 147 . 14 GLU C C 176.0 0.05 . 148 . 14 GLU CA C 55.5 0.05 . 149 . 14 GLU CB C 32.7 0.05 . 150 . 14 GLU CG C 36.1 0.05 . 151 . 14 GLU HA H 4.73 0.02 . 152 . 14 GLU H H 9.05 0.02 . 153 . 14 GLU N N 129.7 0.05 . 154 . 15 ASN HB2 H 3.76 0.02 . 155 . 15 ASN HB3 H 2.86 0.02 . 156 . 15 ASN C C 175.9 0.05 . 157 . 15 ASN CA C 54.3 0.05 . 158 . 15 ASN CB C 39.0 0.05 . 159 . 15 ASN HA H 4.78 0.02 . 160 . 15 ASN HD21 H 7.71 0.02 . 161 . 15 ASN HD22 H 7.10 0.02 . 162 . 15 ASN H H 9.52 0.02 . 163 . 15 ASN N N 126.3 0.05 . 164 . 15 ASN ND2 N 115.1 0.05 . 165 . 16 PHE HB2 H 3.56 0.02 . 166 . 16 PHE HB3 H 3.03 0.02 . 167 . 16 PHE C C 177.9 0.05 . 168 . 16 PHE CA C 60.3 0.05 . 169 . 16 PHE CB C 39.0 0.05 . 170 . 16 PHE HA H 4.72 0.02 . 171 . 16 PHE HD1 H 7.20 0.02 . 172 . 16 PHE HD2 H 7.20 0.02 . 173 . 16 PHE HE1 H 7.51 0.02 . 174 . 16 PHE HE2 H 7.51 0.02 . 175 . 16 PHE H H 8.41 0.02 . 176 . 16 PHE N N 123.4 0.05 . 177 . 17 GLU HB2 H 2.03 0.02 . 178 . 17 GLU HG2 H 2.15 0.02 . 179 . 17 GLU HB3 H 2.03 0.02 . 180 . 17 GLU HG3 H 2.15 0.02 . 181 . 17 GLU C C 178.6 0.05 . 182 . 17 GLU CA C 60.6 0.05 . 183 . 17 GLU CB C 28.9 0.05 . 184 . 17 GLU CG C 36.7 0.05 . 185 . 17 GLU HA H 3.58 0.02 . 186 . 17 GLU H H 8.73 0.02 . 187 . 17 GLU N N 120.9 0.05 . 188 . 18 GLU HB2 H 1.93 0.02 . 189 . 18 GLU HG2 H 2.35 0.02 . 190 . 18 GLU HB3 H 1.93 0.02 . 191 . 18 GLU HG3 H 2.35 0.02 . 192 . 18 GLU C C 179.1 0.05 . 193 . 18 GLU CA C 59.0 0.05 . 194 . 18 GLU CB C 28.7 0.05 . 195 . 18 GLU CG C 37.1 0.05 . 196 . 18 GLU HA H 3.91 0.02 . 197 . 18 GLU H H 8.14 0.02 . 198 . 18 GLU N N 121.6 0.05 . 199 . 19 TYR HB2 H 3.25 0.02 . 200 . 19 TYR HB3 H 2.84 0.02 . 201 . 19 TYR C C 175.2 0.05 . 202 . 19 TYR CA C 61.4 0.05 . 203 . 19 TYR CB C 38.9 0.05 . 204 . 19 TYR HA H 3.93 0.02 . 205 . 19 TYR HD1 H 6.78 0.02 . 206 . 19 TYR HD2 H 7.54 0.02 . 207 . 19 TYR HE1 H 6.49 0.02 . 208 . 19 TYR HE2 H 7.20 0.02 . 209 . 19 TYR H H 7.57 0.02 . 210 . 19 TYR N N 126.5 0.05 . 211 . 20 LEU HB2 H 1.59 0.02 . 212 . 20 LEU HD1 H 0.44 0.02 . 213 . 20 LEU HD2 H 0.44 0.02 . 214 . 20 LEU HB3 H 0.74 0.02 . 215 . 20 LEU C C 180.2 0.05 . 216 . 20 LEU CA C 57.1 0.05 . 217 . 20 LEU CB C 40.8 0.05 . 218 . 20 LEU CD1 C 21.0 0.05 . 219 . 20 LEU CD2 C 21.0 0.05 . 220 . 20 LEU CG C 27.0 0.05 . 221 . 20 LEU HA H 3.45 0.02 . 222 . 20 LEU HG H 0.22 0.02 . 223 . 20 LEU H H 8.03 0.02 . 224 . 20 LEU N N 119.9 0.05 . 225 . 21 ARG HB2 H 2.01 0.02 . 226 . 21 ARG HD2 H 3.17 0.02 . 227 . 21 ARG HG2 H 1.57 0.02 . 228 . 21 ARG HB3 H 1.64 0.02 . 229 . 21 ARG HD3 H 3.12 0.02 . 230 . 21 ARG HG3 H 1.48 0.02 . 231 . 21 ARG C C 180.3 0.05 . 232 . 21 ARG CA C 59.7 0.05 . 233 . 21 ARG CB C 29.9 0.05 . 234 . 21 ARG CD C 43.2 0.05 . 235 . 21 ARG CG C 27.2 0.05 . 236 . 21 ARG HA H 3.79 0.02 . 237 . 21 ARG H H 8.44 0.02 . 238 . 21 ARG N N 124.4 0.05 . 239 . 22 ALA HB H 1.38 0.02 . 240 . 22 ALA C C 177.8 0.05 . 241 . 22 ALA CA C 54.5 0.05 . 242 . 22 ALA CB C 17.7 0.05 . 243 . 22 ALA HA H 4.04 0.02 . 244 . 22 ALA H H 7.90 0.02 . 245 . 22 ALA N N 128.4 0.05 . 246 . 23 LEU HB2 H 1.49 0.02 . 247 . 23 LEU HD1 H 0.21 0.02 . 248 . 23 LEU HD2 H 0.31 0.02 . 249 . 23 LEU HB3 H 1.49 0.02 . 250 . 23 LEU C C 176.6 0.05 . 251 . 23 LEU CA C 53.8 0.05 . 252 . 23 LEU CB C 42.2 0.05 . 253 . 23 LEU CD1 C 25.2 0.05 . 254 . 23 LEU CD2 C 21.1 0.05 . 255 . 23 LEU CG C 25.0 0.05 . 256 . 23 LEU HA H 3.92 0.02 . 257 . 23 LEU HG H 1.09 0.02 . 258 . 23 LEU H H 6.81 0.02 . 259 . 23 LEU N N 117.2 0.05 . 260 . 24 ASP HB2 H 2.94 0.02 . 261 . 24 ASP HB3 H 2.85 0.02 . 262 . 24 ASP C C 175.3 0.05 . 263 . 24 ASP CA C 54.8 0.05 . 264 . 24 ASP CB C 40.1 0.05 . 265 . 24 ASP HA H 4.17 0.02 . 266 . 24 ASP H H 8.07 0.02 . 267 . 24 ASP N N 118.5 0.05 . 268 . 25 VAL HG1 H 0.75 0.02 . 269 . 25 VAL HG2 H 0.89 0.02 . 270 . 25 VAL C C 176.0 0.05 . 271 . 25 VAL CA C 63.0 0.05 . 272 . 25 VAL CB C 31.9 0.05 . 273 . 25 VAL CG1 C 22.1 0.05 . 274 . 25 VAL CG2 C 21.6 0.05 . 275 . 25 VAL HA H 3.75 0.02 . 276 . 25 VAL HB H 1.53 0.02 . 277 . 25 VAL H H 7.50 0.02 . 278 . 25 VAL N N 122.8 0.05 . 279 . 26 ASN HB2 H 3.01 0.02 . 280 . 26 ASN HB3 H 2.73 0.02 . 281 . 26 ASN C C 176.0 0.05 . 282 . 26 ASN CA C 54.3 0.05 . 283 . 26 ASN CB C 39.5 0.05 . 284 . 26 ASN HA H 4.40 0.02 . 285 . 26 ASN HD21 H 7.86 0.02 . 286 . 26 ASN HD22 H 6.96 0.02 . 287 . 26 ASN H H 8.66 0.02 . 288 . 26 ASN N N 129.2 0.05 . 289 . 26 ASN ND2 N 117.3 0.05 . 290 . 27 VAL HG1 H 0.98 0.02 . 291 . 27 VAL HG2 H 0.94 0.02 . 292 . 27 VAL C C 175.8 0.05 . 293 . 27 VAL CA C 65.8 0.05 . 294 . 27 VAL CB C 32.0 0.05 . 295 . 27 VAL CG1 C 21.7 0.05 . 296 . 27 VAL CG2 C 20.0 0.05 . 297 . 27 VAL HA H 3.54 0.02 . 298 . 27 VAL HB H 2.04 0.02 . 299 . 27 VAL H H 8.52 0.02 . 300 . 27 VAL N N 126.3 0.05 . 301 . 28 ALA HB H 1.40 0.02 . 302 . 28 ALA C C 180.4 0.05 . 303 . 28 ALA CA C 54.9 0.05 . 304 . 28 ALA CB C 18.0 0.05 . 305 . 28 ALA HA H 4.05 0.02 . 306 . 28 ALA H H 8.13 0.02 . 307 . 28 ALA N N 126.2 0.05 . 308 . 29 LEU HB2 H 1.63 0.02 . 309 . 29 LEU HD1 H 0.91 0.02 . 310 . 29 LEU HD2 H 0.91 0.02 . 311 . 29 LEU HB3 H 1.52 0.02 . 312 . 29 LEU C C 179.1 0.05 . 313 . 29 LEU CA C 56.5 0.05 . 314 . 29 LEU CB C 41.5 0.05 . 315 . 29 LEU CD1 C 24.2 0.05 . 316 . 29 LEU CD2 C 24.2 0.05 . 317 . 29 LEU CG C 27.5 0.05 . 318 . 29 LEU HA H 4.12 0.02 . 319 . 29 LEU HG H 1.52 0.02 . 320 . 29 LEU H H 7.53 0.02 . 321 . 29 LEU N N 120.8 0.05 . 322 . 30 ARG HB2 H 1.90 0.02 . 323 . 30 ARG HD2 H 2.95 0.02 . 324 . 30 ARG HG2 H 1.67 0.02 . 325 . 30 ARG HB3 H 1.90 0.02 . 326 . 30 ARG HD3 H 2.95 0.02 . 327 . 30 ARG HG3 H 1.26 0.02 . 328 . 30 ARG C C 178.2 0.05 . 329 . 30 ARG CA C 60.1 0.05 . 330 . 30 ARG CB C 30.3 0.05 . 331 . 30 ARG CD C 44.0 0.05 . 332 . 30 ARG CG C 28.1 0.05 . 333 . 30 ARG HA H 3.72 0.02 . 334 . 30 ARG H H 8.14 0.02 . 335 . 30 ARG N N 121.6 0.05 . 336 . 31 LYS HB2 H 1.84 0.02 . 337 . 31 LYS HD2 H 1.64 0.02 . 338 . 31 LYS HE2 H 2.92 0.02 . 339 . 31 LYS HG2 H 1.55 0.02 . 340 . 31 LYS HB3 H 1.82 0.02 . 341 . 31 LYS HD3 H 1.64 0.02 . 342 . 31 LYS HE3 H 2.92 0.02 . 343 . 31 LYS HG3 H 1.47 0.02 . 344 . 31 LYS C C 179.1 0.05 . 345 . 31 LYS CA C 58.8 0.05 . 346 . 31 LYS CB C 32.2 0.05 . 347 . 31 LYS CD C 29.0 0.05 . 348 . 31 LYS CE C 40.8 0.05 . 349 . 31 LYS CG C 25.2 0.05 . 350 . 31 LYS HA H 4.00 0.02 . 351 . 31 LYS H H 7.84 0.02 . 352 . 31 LYS N N 120.1 0.05 . 353 . 32 ILE HD1 H 0.65 0.02 . 354 . 32 ILE HG12 H 1.48 0.02 . 355 . 32 ILE HG2 H 0.56 0.02 . 356 . 32 ILE HG13 H 1.07 0.02 . 357 . 32 ILE C C 175.7 0.05 . 358 . 32 ILE CA C 62.7 0.05 . 359 . 32 ILE CB C 38.7 0.05 . 360 . 32 ILE CD1 C 13.5 0.05 . 361 . 32 ILE CG1 C 28.0 0.05 . 362 . 32 ILE CG2 C 17.2 0.05 . 363 . 32 ILE HA H 3.92 0.02 . 364 . 32 ILE HB H 1.76 0.02 . 365 . 32 ILE H H 7.04 0.02 . 366 . 32 ILE N N 119.3 0.05 . 367 . 33 ALA HB H 1.38 0.02 . 368 . 33 ALA C C 179.7 0.05 . 369 . 33 ALA CA C 54.9 0.05 . 370 . 33 ALA CB C 18.7 0.05 . 371 . 33 ALA HA H 3.92 0.02 . 372 . 34 ASN HB2 H 2.80 0.02 . 373 . 34 ASN HB3 H 2.83 0.02 . 374 . 34 ASN C C 176.0 0.05 . 375 . 34 ASN CA C 55.2 0.05 . 376 . 34 ASN CB C 39.0 0.05 . 377 . 34 ASN HA H 4.72 0.02 . 378 . 34 ASN HD21 H 7.56 0.02 . 379 . 34 ASN HD22 H 6.93 0.02 . 380 . 34 ASN H H 8.22 0.02 . 381 . 34 ASN N N 116.8 0.05 . 382 . 34 ASN ND2 N 116.0 0.05 . 383 . 35 LEU HB2 H 1.78 0.02 . 384 . 35 LEU HD1 H 0.90 0.02 . 385 . 35 LEU HD2 H 0.87 0.02 . 386 . 35 LEU HB3 H 1.63 0.02 . 387 . 35 LEU C C 177.8 0.05 . 388 . 35 LEU CA C 54.8 0.05 . 389 . 35 LEU CB C 42.6 0.05 . 390 . 35 LEU CD1 C 25.2 0.05 . 391 . 35 LEU CD2 C 22.7 0.05 . 392 . 35 LEU CG C 26.7 0.05 . 393 . 35 LEU HA H 4.36 0.02 . 394 . 35 LEU HG H 1.76 0.02 . 395 . 35 LEU H H 7.56 0.02 . 396 . 35 LEU N N 120.9 0.05 . 397 . 36 LEU HB2 H 1.91 0.02 . 398 . 36 LEU HD1 H 0.86 0.02 . 399 . 36 LEU HD2 H 0.86 0.02 . 400 . 36 LEU HB3 H 1.41 0.02 . 401 . 36 LEU C C 176.9 0.05 . 402 . 36 LEU CA C 55.0 0.05 . 403 . 36 LEU CB C 43.0 0.05 . 404 . 36 LEU CD1 C 23.1 0.05 . 405 . 36 LEU CD2 C 23.1 0.05 . 406 . 36 LEU CG C 25.9 0.05 . 407 . 36 LEU HA H 4.24 0.02 . 408 . 36 LEU HG H 0.97 0.02 . 409 . 36 LEU H H 7.26 0.02 . 410 . 36 LEU N N 122.4 0.05 . 411 . 37 LYS HB2 H 1.84 0.02 . 412 . 37 LYS HD2 H 1.66 0.02 . 413 . 37 LYS HE2 H 2.93 0.02 . 414 . 37 LYS HG2 H 1.38 0.02 . 415 . 37 LYS HB3 H 1.84 0.02 . 416 . 37 LYS HD3 H 1.60 0.02 . 417 . 37 LYS HE3 H 2.93 0.02 . 418 . 37 LYS HG3 H 1.26 0.02 . 419 . 37 LYS C C 173.7 0.05 . 420 . 37 LYS CA C 54.3 0.05 . 421 . 37 LYS CB C 32.6 0.05 . 422 . 37 LYS CD C 29.5 0.05 . 423 . 37 LYS CE C 42.1 0.05 . 424 . 37 LYS CG C 24.4 0.05 . 425 . 37 LYS HA H 4.90 0.02 . 426 . 37 LYS H H 8.56 0.02 . 427 . 37 LYS N N 125.2 0.05 . 428 . 38 PRO HB2 H 1.87 0.02 . 429 . 38 PRO HB3 H 1.81 0.02 . 430 . 38 PRO HD2 H 3.47 0.02 . 431 . 38 PRO HD3 H 2.99 0.02 . 432 . 38 PRO HG2 H 1.47 0.02 . 433 . 38 PRO HG3 H 1.26 0.02 . 434 . 38 PRO C C 174.8 0.05 . 435 . 38 PRO CA C 63.0 0.05 . 436 . 38 PRO CB C 31.8 0.05 . 437 . 38 PRO CD C 50.2 0.05 . 438 . 38 PRO CG C 27.0 0.05 . 439 . 38 PRO HA H 4.77 0.02 . 440 . 39 ASP HB2 H 2.67 0.02 . 441 . 39 ASP HB3 H 2.43 0.02 . 442 . 39 ASP C C 176.4 0.05 . 443 . 39 ASP CA C 52.5 0.05 . 444 . 39 ASP CB C 43.8 0.05 . 445 . 39 ASP HA H 5.46 0.02 . 446 . 39 ASP H H 8.23 0.02 . 447 . 39 ASP N N 119.5 0.05 . 448 . 40 LYS HB2 H 0.98 0.02 . 449 . 40 LYS HD2 H 1.06 0.02 . 450 . 40 LYS HE2 H 2.11 0.02 . 451 . 40 LYS HG2 H 0.40 0.02 . 452 . 40 LYS HB3 H 0.80 0.02 . 453 . 40 LYS HD3 H 0.34 0.02 . 454 . 40 LYS HE3 H 1.90 0.02 . 455 . 40 LYS HG3 H 0.04 0.02 . 456 . 40 LYS C C 174.2 0.05 . 457 . 40 LYS CA C 52.8 0.05 . 458 . 40 LYS CB C 35.2 0.05 . 459 . 40 LYS CD C 27.9 0.05 . 460 . 40 LYS CE C 42.3 0.05 . 461 . 40 LYS CG C 23.6 0.05 . 462 . 40 LYS HA H 5.25 0.02 . 463 . 40 LYS H H 8.78 0.02 . 464 . 40 LYS N N 120.6 0.05 . 465 . 41 GLU HB2 H 2.07 0.02 . 466 . 41 GLU HG2 H 2.21 0.02 . 467 . 41 GLU HB3 H 2.07 0.02 . 468 . 41 GLU HG3 H 1.91 0.02 . 469 . 41 GLU C C 175.0 0.05 . 470 . 41 GLU CA C 54.8 0.05 . 471 . 41 GLU CB C 31.5 0.05 . 472 . 41 GLU CG C 37.3 0.05 . 473 . 41 GLU HA H 5.15 0.02 . 474 . 41 GLU H H 9.05 0.02 . 475 . 41 GLU N N 128.1 0.05 . 476 . 42 ILE HD1 H 0.34 0.02 . 477 . 42 ILE HG12 H 1.45 0.02 . 478 . 42 ILE HG2 H 0.62 0.02 . 479 . 42 ILE HG13 H 0.82 0.02 . 480 . 42 ILE C C 175.3 0.05 . 481 . 42 ILE CA C 59.7 0.05 . 482 . 42 ILE CB C 39.7 0.05 . 483 . 42 ILE CD1 C 13.3 0.05 . 484 . 42 ILE CG1 C 28.4 0.05 . 485 . 42 ILE CG2 C 16.8 0.05 . 486 . 42 ILE HA H 5.20 0.02 . 487 . 42 ILE HB H 2.20 0.02 . 488 . 42 ILE H H 9.36 0.02 . 489 . 42 ILE N N 130.5 0.05 . 490 . 43 VAL HG1 H 0.85 0.02 . 491 . 43 VAL HG2 H 0.85 0.02 . 492 . 43 VAL C C 174.3 0.05 . 493 . 43 VAL CA C 61.2 0.05 . 494 . 43 VAL CB C 33.7 0.05 . 495 . 43 VAL CG1 C 20.1 0.05 . 496 . 43 VAL CG2 C 20.1 0.05 . 497 . 43 VAL HA H 4.52 0.02 . 498 . 43 VAL HB H 1.79 0.02 . 499 . 43 VAL H H 8.96 0.02 . 500 . 43 VAL N N 132.5 0.05 . 501 . 44 GLN HB2 H 1.78 0.02 . 502 . 44 GLN HG2 H 2.40 0.02 . 503 . 44 GLN HB3 H 1.78 0.02 . 504 . 44 GLN HG3 H 2.40 0.02 . 505 . 44 GLN HE21 H 8.05 0.02 . 506 . 44 GLN HE22 H 7.49 0.02 . 507 . 44 GLN C C 174.1 0.05 . 508 . 44 GLN CA C 54.2 0.05 . 509 . 44 GLN CB C 31.4 0.05 . 510 . 44 GLN CG C 31.9 0.05 . 511 . 44 GLN HA H 4.92 0.02 . 512 . 44 GLN H H 9.35 0.02 . 513 . 44 GLN N N 135.4 0.05 . 514 . 44 GLN NE2 N 110.5 0.05 . 515 . 45 ASP HB2 H 2.79 0.02 . 516 . 45 ASP HB3 H 2.48 0.02 . 517 . 45 ASP C C 176.7 0.05 . 518 . 45 ASP CA C 52.5 0.05 . 519 . 45 ASP CB C 41.6 0.05 . 520 . 45 ASP HA H 4.94 0.02 . 521 . 45 ASP H H 8.85 0.02 . 522 . 45 ASP N N 131.8 0.05 . 523 . 46 GLY HA2 H 4.09 0.02 . 524 . 46 GLY HA3 H 3.73 0.02 . 525 . 46 GLY C C 174.8 0.05 . 526 . 46 GLY CA C 47.5 0.05 . 527 . 46 GLY H H 9.04 0.02 . 528 . 46 GLY N N 119.7 0.05 . 529 . 47 ASP HB2 H 3.13 0.02 . 530 . 47 ASP HB3 H 2.75 0.02 . 531 . 47 ASP C C 175.1 0.05 . 532 . 47 ASP CA C 54.3 0.05 . 533 . 47 ASP CB C 41.2 0.05 . 534 . 47 ASP HA H 4.95 0.02 . 535 . 47 ASP H H 8.94 0.02 . 536 . 47 ASP N N 129.5 0.05 . 537 . 48 HIS HB2 H 3.54 0.02 . 538 . 48 HIS HB3 H 3.14 0.02 . 539 . 48 HIS C C 173.4 0.05 . 540 . 48 HIS CA C 53.8 0.05 . 541 . 48 HIS CB C 29.9 0.05 . 542 . 48 HIS HA H 5.10 0.02 . 543 . 48 HIS HD2 H 7.19 0.02 . 544 . 48 HIS H H 8.29 0.02 . 545 . 48 HIS N N 123.2 0.05 . 546 . 49 MET HB2 H 1.05 0.02 . 547 . 49 MET HG2 H 2.06 0.02 . 548 . 49 MET HB3 H 0.97 0.02 . 549 . 49 MET HG3 H 1.99 0.02 . 550 . 49 MET C C 171.7 0.05 . 551 . 49 MET CA C 54.0 0.05 . 552 . 49 MET CB C 35.7 0.05 . 553 . 49 MET CG C 32.7 0.05 . 554 . 49 MET HA H 4.78 0.02 . 555 . 49 MET H H 8.59 0.02 . 556 . 49 MET N N 132.3 0.05 . 557 . 50 ILE HD1 H 0.64 0.02 . 558 . 50 ILE HG12 H 1.06 0.02 . 559 . 50 ILE HG2 H 0.74 0.02 . 560 . 50 ILE HG13 H 0.72 0.02 . 561 . 50 ILE C C 176.3 0.05 . 562 . 50 ILE CA C 59.7 0.05 . 563 . 50 ILE CB C 41.1 0.05 . 564 . 50 ILE CD1 C 13.6 0.05 . 565 . 50 ILE CG1 C 27.2 0.05 . 566 . 50 ILE CG2 C 17.5 0.05 . 567 . 50 ILE HA H 4.74 0.02 . 568 . 50 ILE HB H 1.46 0.02 . 569 . 50 ILE H H 8.42 0.02 . 570 . 50 ILE N N 124.5 0.05 . 571 . 51 ILE HD1 H 0.85 0.02 . 572 . 51 ILE HG12 H 1.09 0.02 . 573 . 51 ILE HG2 H 0.47 0.02 . 574 . 51 ILE HG13 H 1.09 0.02 . 575 . 51 ILE C C 176.2 0.05 . 576 . 51 ILE CA C 60.7 0.05 . 577 . 51 ILE CB C 40.5 0.05 . 578 . 51 ILE CD1 C 13.5 0.05 . 579 . 51 ILE CG1 C 25.9 0.05 . 580 . 51 ILE CG2 C 16.5 0.05 . 581 . 51 ILE HA H 4.46 0.02 . 582 . 51 ILE HB H 1.72 0.02 . 583 . 51 ILE H H 8.94 0.02 . 584 . 51 ILE N N 126.9 0.05 . 585 . 52 ARG HB2 H 2.15 0.02 . 586 . 52 ARG HD2 H 2.92 0.02 . 587 . 52 ARG HG2 H 1.55 0.02 . 588 . 52 ARG HB3 H 2.15 0.02 . 589 . 52 ARG HD3 H 2.92 0.02 . 590 . 52 ARG HG3 H 1.55 0.02 . 591 . 52 ARG C C 174.6 0.05 . 592 . 52 ARG CA C 56.0 0.05 . 593 . 52 ARG CB C 30.5 0.05 . 594 . 52 ARG CD C 41.8 0.05 . 595 . 52 ARG CG C 29.6 0.05 . 596 . 52 ARG HA H 4.91 0.02 . 597 . 52 ARG H H 9.77 0.02 . 598 . 52 ARG N N 134.2 0.05 . 599 . 53 THR HG2 H 1.18 0.02 . 600 . 53 THR C C 174.1 0.05 . 601 . 53 THR CA C 63.1 0.05 . 602 . 53 THR CB C 68.8 0.05 . 603 . 53 THR CG2 C 21.5 0.05 . 604 . 53 THR HA H 4.89 0.02 . 605 . 53 THR HB H 4.30 0.02 . 606 . 53 THR H H 9.04 0.02 . 607 . 53 THR N N 126.6 0.05 . 608 . 54 LEU HB2 H 1.61 0.02 . 609 . 54 LEU HD1 H 0.92 0.02 . 610 . 54 LEU HD2 H 0.74 0.02 . 611 . 54 LEU HB3 H 1.51 0.02 . 612 . 54 LEU C C 176.2 0.05 . 613 . 54 LEU CA C 53.7 0.05 . 614 . 54 LEU CB C 44.0 0.05 . 615 . 54 LEU CD1 C 26.2 0.05 . 616 . 54 LEU CD2 C 23.6 0.05 . 617 . 54 LEU CG C 26.6 0.05 . 618 . 54 LEU HA H 5.09 0.02 . 619 . 54 LEU HG H 1.41 0.02 . 620 . 54 LEU H H 8.91 0.02 . 621 . 54 LEU N N 132.5 0.05 . 622 . 55 SER HB2 H 4.20 0.02 . 623 . 55 SER HB3 H 3.99 0.02 . 624 . 55 SER C C 173.8 0.05 . 625 . 55 SER CA C 57.6 0.05 . 626 . 55 SER CB C 67.3 0.05 . 627 . 55 SER HA H 4.96 0.02 . 628 . 55 SER H H 8.46 0.02 . 629 . 55 SER N N 119.2 0.05 . 630 . 56 THR HG2 H 1.16 0.02 . 631 . 56 THR C C 175.1 0.05 . 632 . 56 THR CA C 63.9 0.05 . 633 . 56 THR CB C 68.8 0.05 . 634 . 56 THR CG2 C 21.7 0.05 . 635 . 56 THR HA H 4.04 0.02 . 636 . 56 THR HB H 4.18 0.02 . 637 . 56 THR H H 8.41 0.02 . 638 . 56 THR N N 115.6 0.05 . 639 . 57 PHE HB2 H 3.11 0.02 . 640 . 57 PHE HB3 H 2.92 0.02 . 641 . 57 PHE C C 175.1 0.05 . 642 . 57 PHE CA C 58.7 0.05 . 643 . 57 PHE CB C 40.8 0.05 . 644 . 57 PHE HA H 4.60 0.02 . 645 . 57 PHE HD1 H 7.20 0.02 . 646 . 57 PHE HD2 H 7.20 0.02 . 647 . 57 PHE HE1 H 7.26 0.02 . 648 . 57 PHE HE2 H 7.26 0.02 . 649 . 57 PHE H H 7.84 0.02 . 650 . 57 PHE N N 123.1 0.05 . 651 . 58 ARG HB2 H 1.60 0.02 . 652 . 58 ARG HD2 H 3.13 0.02 . 653 . 58 ARG HG2 H 1.17 0.02 . 654 . 58 ARG HB3 H 1.60 0.02 . 655 . 58 ARG HD3 H 3.01 0.02 . 656 . 58 ARG HG3 H 1.33 0.02 . 657 . 58 ARG C C 174.0 0.05 . 658 . 58 ARG CA C 55.9 0.05 . 659 . 58 ARG CB C 32.7 0.05 . 660 . 58 ARG CD C 43.2 0.05 . 661 . 58 ARG CG C 26.5 0.05 . 662 . 58 ARG HA H 4.27 0.02 . 663 . 58 ARG H H 7.05 0.02 . 664 . 58 ARG N N 119.4 0.05 . 665 . 59 ASN HB2 H 2.70 0.02 . 666 . 59 ASN HB3 H 2.52 0.02 . 667 . 59 ASN C C 174.9 0.05 . 668 . 59 ASN CA C 51.8 0.05 . 669 . 59 ASN CB C 40.1 0.05 . 670 . 59 ASN HA H 5.55 0.02 . 671 . 59 ASN HD21 H 7.42 0.02 . 672 . 59 ASN HD22 H 6.58 0.02 . 673 . 59 ASN ND2 N 114.1 0.05 . 674 . 60 TYR HB2 H 3.02 0.02 . 675 . 60 TYR HB3 H 2.89 0.02 . 676 . 60 TYR C C 174.8 0.05 . 677 . 60 TYR CA C 57.9 0.05 . 678 . 60 TYR CB C 38.8 0.05 . 679 . 60 TYR HA H 4.99 0.02 . 680 . 60 TYR HD1 H 7.12 0.02 . 681 . 60 TYR HD2 H 7.12 0.02 . 682 . 60 TYR HE1 H 6.95 0.02 . 683 . 60 TYR HE2 H 6.95 0.02 . 684 . 60 TYR H H 8.97 0.02 . 685 . 60 TYR N N 124.1 0.05 . 686 . 61 ILE HD1 H 0.82 0.02 . 687 . 61 ILE HG12 H 1.43 0.02 . 688 . 61 ILE HG2 H 0.79 0.02 . 689 . 61 ILE HG13 H 1.08 0.02 . 690 . 61 ILE C C 174.3 0.05 . 691 . 61 ILE CA C 60.7 0.05 . 692 . 61 ILE CB C 39.9 0.05 . 693 . 61 ILE CD1 C 12.8 0.05 . 694 . 61 ILE CG1 C 28.3 0.05 . 695 . 61 ILE CG2 C 17.8 0.05 . 696 . 61 ILE HA H 4.56 0.02 . 697 . 61 ILE HB H 1.80 0.02 . 698 . 61 ILE H H 9.03 0.02 . 699 . 61 ILE N N 132.4 0.05 . 700 . 62 MET HB2 H 2.38 0.02 . 701 . 62 MET HG2 H 2.76 0.02 . 702 . 62 MET HB3 H 2.06 0.02 . 703 . 62 MET HG3 H 2.60 0.02 . 704 . 62 MET C C 173.4 0.05 . 705 . 62 MET CA C 54.9 0.05 . 706 . 62 MET CB C 37.1 0.05 . 707 . 62 MET CG C 32.6 0.05 . 708 . 62 MET HA H 4.74 0.02 . 709 . 62 MET H H 8.36 0.02 . 710 . 62 MET N N 128.9 0.05 . 711 . 63 ASP HB2 H 2.85 0.02 . 712 . 63 ASP HB3 H 2.22 0.02 . 713 . 63 ASP C C 174.5 0.05 . 714 . 63 ASP CA C 53.5 0.05 . 715 . 63 ASP CB C 42.5 0.05 . 716 . 63 ASP HA H 5.14 0.02 . 717 . 63 ASP H H 8.64 0.02 . 718 . 63 ASP N N 128.8 0.05 . 719 . 64 PHE HB2 H 2.70 0.02 . 720 . 64 PHE HB3 H 1.95 0.02 . 721 . 64 PHE C C 172.5 0.05 . 722 . 64 PHE CA C 55.9 0.05 . 723 . 64 PHE CB C 41.9 0.05 . 724 . 64 PHE HA H 4.73 0.02 . 725 . 64 PHE HD1 H 6.72 0.02 . 726 . 64 PHE HD2 H 6.72 0.02 . 727 . 64 PHE HE1 H 7.04 0.02 . 728 . 64 PHE HE2 H 7.04 0.02 . 729 . 64 PHE H H 8.59 0.02 . 730 . 64 PHE N N 124.2 0.05 . 731 . 65 GLN HB2 H 2.02 0.02 . 732 . 65 GLN HG2 H 2.26 0.02 . 733 . 65 GLN HB3 H 1.91 0.02 . 734 . 65 GLN HG3 H 2.26 0.02 . 735 . 65 GLN C C 177.6 0.05 . 736 . 65 GLN CA C 52.9 0.05 . 737 . 65 GLN CB C 30.3 0.05 . 738 . 65 GLN CG C 33.0 0.05 . 739 . 65 GLN HA H 5.29 0.02 . 740 . 65 GLN HE21 H 7.55 0.02 . 741 . 65 GLN HE22 H 6.66 0.02 . 742 . 65 GLN H H 9.03 0.02 . 743 . 65 GLN N N 122.0 0.05 . 744 . 65 GLN NE2 N 114.5 0.05 . 745 . 66 VAL HG1 H 1.00 0.02 . 746 . 66 VAL HG2 H 0.76 0.02 . 747 . 66 VAL C C 177.4 0.05 . 748 . 66 VAL CA C 65.6 0.05 . 749 . 66 VAL CB C 32.0 0.05 . 750 . 66 VAL CG1 C 22.4 0.05 . 751 . 66 VAL CG2 C 21.9 0.05 . 752 . 66 VAL HA H 3.70 0.02 . 753 . 66 VAL HB H 2.10 0.02 . 754 . 66 VAL H H 9.68 0.02 . 755 . 66 VAL N N 131.6 0.05 . 756 . 67 GLY HA2 H 4.41 0.02 . 757 . 67 GLY HA3 H 3.68 0.02 . 758 . 67 GLY C C 173.4 0.05 . 759 . 67 GLY CA C 45.1 0.05 . 760 . 67 GLY H H 9.69 0.02 . 761 . 67 GLY N N 118.4 0.05 . 762 . 68 LYS HB2 H 2.04 0.02 . 763 . 68 LYS HD2 H 1.70 0.02 . 764 . 68 LYS HE2 H 3.05 0.02 . 765 . 68 LYS HG2 H 1.43 0.02 . 766 . 68 LYS HB3 H 1.81 0.02 . 767 . 68 LYS HD3 H 1.70 0.02 . 768 . 68 LYS HE3 H 3.05 0.02 . 769 . 68 LYS HG3 H 1.43 0.02 . 770 . 68 LYS C C 175.8 0.05 . 771 . 68 LYS CA C 54.3 0.05 . 772 . 68 LYS CB C 33.6 0.05 . 773 . 68 LYS CD C 28.9 0.05 . 774 . 68 LYS CE C 41.9 0.05 . 775 . 68 LYS CG C 24.5 0.05 . 776 . 68 LYS HA H 4.80 0.02 . 777 . 68 LYS H H 7.83 0.02 . 778 . 68 LYS N N 124.4 0.05 . 779 . 69 GLU HB2 H 1.88 0.02 . 780 . 69 GLU HG2 H 1.92 0.02 . 781 . 69 GLU HB3 H 1.88 0.02 . 782 . 69 GLU HG3 H 1.92 0.02 . 783 . 69 GLU C C 175.6 0.05 . 784 . 69 GLU CA C 56.6 0.05 . 785 . 69 GLU CB C 30.7 0.05 . 786 . 69 GLU CG C 37.4 0.05 . 787 . 69 GLU HA H 4.90 0.02 . 788 . 69 GLU H H 8.94 0.02 . 789 . 69 GLU N N 135.6 0.05 . 790 . 70 PHE HB2 H 3.16 0.02 . 791 . 70 PHE HB3 H 3.16 0.02 . 792 . 70 PHE C C 172.1 0.05 . 793 . 70 PHE CA C 54.9 0.05 . 794 . 70 PHE CB C 42.2 0.05 . 795 . 70 PHE HA H 5.08 0.02 . 796 . 70 PHE HD1 H 7.05 0.02 . 797 . 70 PHE HD2 H 7.05 0.02 . 798 . 70 PHE HE1 H 7.45 0.02 . 799 . 70 PHE HE2 H 7.45 0.02 . 800 . 70 PHE H H 9.36 0.02 . 801 . 70 PHE N N 128.3 0.05 . 802 . 71 GLU HB2 H 2.13 0.02 . 803 . 71 GLU HB3 H 1.91 0.02 . 804 . 71 GLU HG2 H 2.13 0.02 . 805 . 71 GLU HG3 H 1.91 0.02 . 806 . 71 GLU C C 174.6 0.05 . 807 . 71 GLU CA C 55.6 0.05 . 808 . 71 GLU CB C 30.6 0.05 . 809 . 71 GLU CG C 37.5 0.05 . 810 . 71 GLU HA H 4.89 0.02 . 811 . 71 GLU H H 8.72 0.02 . 812 . 71 GLU N N 124.7 0.05 . 813 . 72 GLU HB2 H 1.96 0.02 . 814 . 72 GLU HG2 H 2.36 0.02 . 815 . 72 GLU HB3 H 1.35 0.02 . 816 . 72 GLU HG3 H 2.27 0.02 . 817 . 72 GLU C C 174.3 0.05 . 818 . 72 GLU CA C 55.6 0.05 . 819 . 72 GLU CB C 31.4 0.05 . 820 . 72 GLU CG C 36.0 0.05 . 821 . 72 GLU HA H 4.59 0.02 . 822 . 72 GLU H H 9.53 0.02 . 823 . 72 GLU N N 137.4 0.05 . 824 . 73 ASP HB2 H 3.19 0.02 . 825 . 73 ASP HB3 H 2.71 0.02 . 826 . 73 ASP C C 176.4 0.05 . 827 . 73 ASP CA C 53.2 0.05 . 828 . 73 ASP CB C 41.2 0.05 . 829 . 73 ASP HA H 4.85 0.02 . 830 . 74 LEU HB2 H 1.93 0.02 . 831 . 74 LEU HB3 H 1.86 0.02 . 832 . 74 LEU HD1 H 0.69 0.02 . 833 . 74 LEU HD2 H 0.69 0.02 . 834 . 74 LEU HG H 1.47 0.02 . 835 . 74 LEU C C 178.2 0.05 . 836 . 74 LEU CA C 56.5 0.05 . 837 . 74 LEU CB C 39.4 0.05 . 838 . 74 LEU CD1 C 25.7 0.05 . 839 . 74 LEU CD2 C 25.7 0.05 . 840 . 74 LEU CG C 28.1 0.05 . 841 . 74 LEU HA H 4.58 0.02 . 842 . 75 THR HG2 H 1.22 0.02 . 843 . 75 THR C C 175.8 0.05 . 844 . 75 THR CA C 66.0 0.05 . 845 . 75 THR CB C 68.4 0.05 . 846 . 75 THR CG2 C 21.0 0.05 . 847 . 75 THR HA H 4.37 0.02 . 848 . 75 THR HB H 4.05 0.02 . 849 . 76 GLY HA2 H 3.94 0.02 . 850 . 76 GLY HA3 H 3.94 0.02 . 851 . 76 GLY C C 174.0 0.05 . 852 . 76 GLY CA C 45.4 0.05 . 853 . 77 ILE HD1 H 0.41 0.02 . 854 . 77 ILE HG12 H 1.09 0.02 . 855 . 77 ILE HG2 H 0.71 0.02 . 856 . 77 ILE HG13 H 0.91 0.02 . 857 . 77 ILE C C 173.6 0.05 . 858 . 77 ILE CA C 61.9 0.05 . 859 . 77 ILE CB C 34.4 0.05 . 860 . 77 ILE CD1 C 11.6 0.05 . 861 . 77 ILE CG1 C 27.1 0.05 . 862 . 77 ILE CG2 C 16.9 0.05 . 863 . 77 ILE HA H 4.18 0.02 . 864 . 77 ILE HB H 1.91 0.02 . 865 . 77 ILE H H 8.06 0.02 . 866 . 77 ILE N N 125.6 0.05 . 867 . 78 ASP HB2 H 2.89 0.02 . 868 . 78 ASP HB3 H 2.04 0.02 . 869 . 78 ASP C C 175.3 0.05 . 870 . 78 ASP CA C 52.3 0.05 . 871 . 78 ASP CB C 40.5 0.05 . 872 . 78 ASP HA H 4.59 0.02 . 873 . 78 ASP H H 9.02 0.02 . 874 . 78 ASP N N 117.8 0.05 . 875 . 79 ASP HB2 H 2.93 0.02 . 876 . 79 ASP HB3 H 2.93 0.02 . 877 . 79 ASP C C 174.3 0.05 . 878 . 79 ASP CA C 55.9 0.05 . 879 . 79 ASP CB C 38.7 0.05 . 880 . 79 ASP HA H 4.02 0.02 . 881 . 79 ASP H H 8.06 0.02 . 882 . 79 ASP N N 118.4 0.05 . 883 . 80 ARG HB2 H 1.74 0.02 . 884 . 80 ARG HD2 H 3.01 0.02 . 885 . 80 ARG HG2 H 1.63 0.02 . 886 . 80 ARG HB3 H 1.74 0.02 . 887 . 80 ARG HD3 H 3.05 0.02 . 888 . 80 ARG HG3 H 1.37 0.02 . 889 . 80 ARG C C 174.4 0.05 . 890 . 80 ARG CA C 56.1 0.05 . 891 . 80 ARG CB C 33.0 0.05 . 892 . 80 ARG CD C 43.1 0.05 . 893 . 80 ARG CG C 30.8 0.05 . 894 . 80 ARG HA H 4.55 0.02 . 895 . 80 ARG HE H 7.30 0.02 . 896 . 80 ARG H H 6.54 0.02 . 897 . 80 ARG N N 119.1 0.05 . 898 . 80 ARG NE N 121.9 0.05 . 899 . 81 LYS HB2 H 1.64 0.02 . 900 . 81 LYS HD2 H 1.65 0.02 . 901 . 81 LYS HE2 H 2.88 0.02 . 902 . 81 LYS HG2 H 1.48 0.02 . 903 . 81 LYS HB3 H 1.64 0.02 . 904 . 81 LYS HD3 H 1.56 0.02 . 905 . 81 LYS HE3 H 2.88 0.02 . 906 . 81 LYS HG3 H 1.34 0.02 . 907 . 81 LYS C C 177.7 0.05 . 908 . 81 LYS CA C 54.8 0.05 . 909 . 81 LYS CB C 34.7 0.05 . 910 . 81 LYS CD C 29.2 0.05 . 911 . 81 LYS CE C 41.9 0.05 . 912 . 81 LYS CG C 25.3 0.05 . 913 . 81 LYS HA H 5.42 0.02 . 914 . 81 LYS H H 8.12 0.02 . 915 . 81 LYS N N 120.9 0.05 . 916 . 82 CYS HB2 H 2.43 0.02 . 917 . 82 CYS HB3 H 2.23 0.02 . 918 . 82 CYS C C 172.5 0.05 . 919 . 82 CYS CA C 57.9 0.05 . 920 . 82 CYS CB C 32.7 0.05 . 921 . 82 CYS HA H 5.00 0.02 . 922 . 82 CYS H H 8.79 0.02 . 923 . 82 CYS N N 124.1 0.05 . 924 . 83 MET HB2 H 1.88 0.02 . 925 . 83 MET HG2 H 2.58 0.02 . 926 . 83 MET HB3 H 1.69 0.02 . 927 . 83 MET HG3 H 2.47 0.02 . 928 . 83 MET C C 176.1 0.05 . 929 . 83 MET CA C 53.4 0.05 . 930 . 83 MET CB C 30.2 0.05 . 931 . 83 MET CG C 31.5 0.05 . 932 . 83 MET HA H 5.14 0.02 . 933 . 83 MET H H 8.72 0.02 . 934 . 83 MET N N 123.2 0.05 . 935 . 84 THR HG2 H 0.53 0.02 . 936 . 84 THR C C 172.3 0.05 . 937 . 84 THR CA C 61.9 0.05 . 938 . 84 THR CB C 70.5 0.05 . 939 . 84 THR CG2 C 24.5 0.05 . 940 . 84 THR HA H 5.17 0.02 . 941 . 84 THR HB H 2.49 0.02 . 942 . 84 THR H H 9.25 0.02 . 943 . 84 THR N N 134.0 0.05 . 944 . 85 THR HG2 H 0.89 0.02 . 945 . 85 THR C C 173.1 0.05 . 946 . 85 THR CA C 62.4 0.05 . 947 . 85 THR CB C 71.2 0.05 . 948 . 85 THR CG2 C 20.4 0.05 . 949 . 85 THR HA H 4.23 0.02 . 950 . 85 THR HB H 3.70 0.02 . 951 . 85 THR H H 8.18 0.02 . 952 . 85 THR N N 121.7 0.05 . 953 . 86 VAL HG1 H 0.53 0.02 . 954 . 86 VAL HG2 H -0.03 0.02 . 955 . 86 VAL C C 174.3 0.05 . 956 . 86 VAL CA C 60.3 0.05 . 957 . 86 VAL CB C 32.5 0.05 . 958 . 86 VAL CG1 C 22.4 0.05 . 959 . 86 VAL CG2 C 20.1 0.05 . 960 . 86 VAL HA H 4.59 0.02 . 961 . 86 VAL HB H 1.55 0.02 . 962 . 86 VAL H H 9.45 0.02 . 963 . 86 VAL N N 135.9 0.05 . 964 . 87 SER HB2 H 3.71 0.02 . 965 . 87 SER HB3 H 3.67 0.02 . 966 . 87 SER C C 172.7 0.05 . 967 . 87 SER CA C 56.9 0.05 . 968 . 87 SER CB C 66.1 0.05 . 969 . 87 SER HA H 4.77 0.02 . 970 . 87 SER H H 9.29 0.02 . 971 . 87 SER N N 124.2 0.05 . 972 . 88 TRP HB2 H 3.45 0.02 . 973 . 88 TRP HB3 H 3.13 0.02 . 974 . 88 TRP C C 177.3 0.05 . 975 . 88 TRP CA C 57.5 0.05 . 976 . 88 TRP CB C 30.6 0.05 . 977 . 88 TRP HA H 5.11 0.02 . 978 . 88 TRP HD1 H 7.35 0.02 . 979 . 88 TRP HE1 H 10.76 0.02 . 980 . 88 TRP H H 8.68 0.02 . 981 . 88 TRP N N 124.3 0.05 . 982 . 88 TRP NE1 N 133.0 0.05 . 983 . 89 ASP HB2 H 2.77 0.02 . 984 . 89 ASP HB3 H 2.55 0.02 . 985 . 89 ASP C C 176.2 0.05 . 986 . 89 ASP CA C 52.8 0.05 . 987 . 89 ASP CB C 41.7 0.05 . 988 . 89 ASP HA H 4.91 0.02 . 989 . 89 ASP H H 9.49 0.02 . 990 . 89 ASP N N 128.6 0.05 . 991 . 90 GLY HA2 H 4.08 0.02 . 992 . 90 GLY HA3 H 3.63 0.02 . 993 . 90 GLY C C 174.4 0.05 . 994 . 90 GLY CA C 47.6 0.05 . 995 . 90 GLY H H 8.93 0.02 . 996 . 90 GLY N N 117.6 0.05 . 997 . 91 ASP HB2 H 2.92 0.02 . 998 . 91 ASP HB3 H 2.63 0.02 . 999 . 91 ASP C C 174.5 0.05 . 1000 . 91 ASP CA C 54.2 0.05 . 1001 . 91 ASP CB C 40.5 0.05 . 1002 . 91 ASP HA H 4.68 0.02 . 1003 . 91 ASP H H 8.90 0.02 . 1004 . 91 ASP N N 131.6 0.05 . 1005 . 92 LYS HB2 H 2.19 0.02 . 1006 . 92 LYS HD2 H 1.35 0.02 . 1007 . 92 LYS HE2 H 2.40 0.02 . 1008 . 92 LYS HG2 H 1.56 0.02 . 1009 . 92 LYS HB3 H 1.72 0.02 . 1010 . 92 LYS HD3 H 1.19 0.02 . 1011 . 92 LYS HE3 H 2.29 0.02 . 1012 . 92 LYS HG3 H 1.31 0.02 . 1013 . 92 LYS C C 174.8 0.05 . 1014 . 92 LYS CA C 54.8 0.05 . 1015 . 92 LYS CB C 35.0 0.05 . 1016 . 92 LYS CD C 29.4 0.05 . 1017 . 92 LYS CE C 41.4 0.05 . 1018 . 92 LYS CG C 25.3 0.05 . 1019 . 92 LYS HA H 5.24 0.02 . 1020 . 92 LYS H H 8.09 0.02 . 1021 . 92 LYS N N 120.7 0.05 . 1022 . 93 LEU HB2 H -0.13 0.02 . 1023 . 93 LEU HD1 H 0.17 0.02 . 1024 . 93 LEU HD2 H -0.22 0.02 . 1025 . 93 LEU HB3 H -0.08 0.02 . 1026 . 93 LEU C C 175.6 0.05 . 1027 . 93 LEU CA C 53.5 0.05 . 1028 . 93 LEU CB C 45.0 0.05 . 1029 . 93 LEU CD1 C 24.4 0.05 . 1030 . 93 LEU CD2 C 23.4 0.05 . 1031 . 93 LEU CG C 26.3 0.05 . 1032 . 93 LEU HA H 4.73 0.02 . 1033 . 93 LEU HG H 1.14 0.02 . 1034 . 93 LEU H H 9.40 0.02 . 1035 . 93 LEU N N 126.0 0.05 . 1036 . 94 GLN HB2 H 1.72 0.02 . 1037 . 94 GLN HG2 H 2.38 0.02 . 1038 . 94 GLN HB3 H 1.72 0.02 . 1039 . 94 GLN HG3 H 2.22 0.02 . 1040 . 94 GLN C C 174.1 0.05 . 1041 . 94 GLN CA C 53.8 0.05 . 1042 . 94 GLN CB C 30.6 0.05 . 1043 . 94 GLN CG C 32.0 0.05 . 1044 . 94 GLN HA H 5.08 0.02 . 1045 . 94 GLN HE21 H 7.95 0.02 . 1046 . 94 GLN HE22 H 6.91 0.02 . 1047 . 94 GLN H H 9.16 0.02 . 1048 . 94 GLN N N 126.6 0.05 . 1049 . 94 GLN NE2 N 114.9 0.05 . 1050 . 95 CYS HB2 H 0.26 0.02 . 1051 . 95 CYS HB3 H -0.02 0.02 . 1052 . 95 CYS C C 174.6 0.05 . 1053 . 95 CYS CA C 55.6 0.05 . 1054 . 95 CYS CB C 26.5 0.05 . 1055 . 95 CYS HA H 4.64 0.02 . 1056 . 95 CYS H H 8.95 0.02 . 1057 . 95 CYS N N 126.9 0.05 . 1058 . 96 VAL HG1 H 0.87 0.02 . 1059 . 96 VAL HG2 H 0.87 0.02 . 1060 . 96 VAL C C 173.6 0.05 . 1061 . 96 VAL CA C 61.5 0.05 . 1062 . 96 VAL CB C 34.1 0.05 . 1063 . 96 VAL CG1 C 20.4 0.05 . 1064 . 96 VAL CG2 C 20.4 0.05 . 1065 . 96 VAL HA H 4.23 0.02 . 1066 . 96 VAL HB H 1.88 0.02 . 1067 . 96 VAL H H 8.32 0.02 . 1068 . 96 VAL N N 133.9 0.05 . 1069 . 97 GLN HB2 H 1.73 0.02 . 1070 . 97 GLN HG2 H 2.42 0.02 . 1071 . 97 GLN HB3 H 1.73 0.02 . 1072 . 97 GLN HG3 H 2.42 0.02 . 1073 . 97 GLN HE21 H 9.18 0.02 . 1074 . 97 GLN HE22 H 6.01 0.02 . 1075 . 97 GLN C C 175.6 0.05 . 1076 . 97 GLN CA C 53.5 0.05 . 1077 . 97 GLN CB C 29.8 0.05 . 1078 . 97 GLN CG C 34.3 0.05 . 1079 . 97 GLN HA H 4.57 0.02 . 1080 . 97 GLN H H 8.12 0.02 . 1081 . 97 GLN N N 130.2 0.05 . 1082 . 97 GLN NE2 N 118.3 0.05 . 1083 . 98 LYS HB2 H 2.03 0.02 . 1084 . 98 LYS HD2 H 1.64 0.02 . 1085 . 98 LYS HE2 H 2.92 0.02 . 1086 . 98 LYS HG2 H 1.50 0.02 . 1087 . 98 LYS HB3 H 1.93 0.02 . 1088 . 98 LYS HD3 H 1.64 0.02 . 1089 . 98 LYS HE3 H 2.92 0.02 . 1090 . 98 LYS HG3 H 1.33 0.02 . 1091 . 98 LYS C C 176.8 0.05 . 1092 . 98 LYS CA C 56.7 0.05 . 1093 . 98 LYS CB C 32.3 0.05 . 1094 . 98 LYS CD C 29.3 0.05 . 1095 . 98 LYS CE C 41.5 0.05 . 1096 . 98 LYS CG C 25.4 0.05 . 1097 . 98 LYS HA H 4.41 0.02 . 1098 . 98 LYS H H 8.62 0.02 . 1099 . 98 LYS N N 129.6 0.05 . 1100 . 99 GLY HA2 H 4.22 0.02 . 1101 . 99 GLY HA3 H 3.98 0.02 . 1102 . 99 GLY C C 172.8 0.05 . 1103 . 99 GLY CA C 46.5 0.05 . 1104 . 99 GLY H H 8.46 0.02 . 1105 . 99 GLY N N 117.8 0.05 . 1106 . 100 GLU HB2 H 2.02 0.02 . 1107 . 100 GLU HG2 H 2.31 0.02 . 1108 . 100 GLU HB3 H 1.88 0.02 . 1109 . 100 GLU HG3 H 2.16 0.02 . 1110 . 100 GLU C C 177.5 0.05 . 1111 . 100 GLU CA C 58.7 0.05 . 1112 . 100 GLU CB C 31.3 0.05 . 1113 . 100 GLU CG C 36.1 0.05 . 1114 . 100 GLU HA H 3.98 0.02 . 1115 . 100 GLU H H 8.30 0.02 . 1116 . 100 GLU N N 124.7 0.05 . 1117 . 101 LYS HB2 H 1.77 0.02 . 1118 . 101 LYS HD2 H 1.76 0.02 . 1119 . 101 LYS HE2 H 2.89 0.02 . 1120 . 101 LYS HG2 H 1.35 0.02 . 1121 . 101 LYS HB3 H 1.52 0.02 . 1122 . 101 LYS HD3 H 1.54 0.02 . 1123 . 101 LYS HE3 H 2.79 0.02 . 1124 . 101 LYS HG3 H 1.20 0.02 . 1125 . 101 LYS C C 176.6 0.05 . 1126 . 101 LYS CA C 53.2 0.05 . 1127 . 101 LYS CB C 31.7 0.05 . 1128 . 101 LYS CD C 27.7 0.05 . 1129 . 101 LYS CE C 42.2 0.05 . 1130 . 101 LYS CG C 23.7 0.05 . 1131 . 101 LYS HA H 4.58 0.02 . 1132 . 101 LYS H H 7.47 0.02 . 1133 . 101 LYS N N 117.7 0.05 . 1134 . 102 GLU HB2 H 1.92 0.02 . 1135 . 102 GLU HG2 H 2.33 0.02 . 1136 . 102 GLU HB3 H 1.92 0.02 . 1137 . 102 GLU HG3 H 2.25 0.02 . 1138 . 102 GLU C C 177.5 0.05 . 1139 . 102 GLU CA C 55.8 0.05 . 1140 . 102 GLU CB C 30.8 0.05 . 1141 . 102 GLU CG C 36.1 0.05 . 1142 . 102 GLU HA H 4.23 0.02 . 1143 . 102 GLU H H 9.58 0.02 . 1144 . 102 GLU N N 130.4 0.05 . 1145 . 103 GLY HA2 H 3.72 0.02 . 1146 . 103 GLY HA3 H 3.72 0.02 . 1147 . 103 GLY C C 174.7 0.05 . 1148 . 103 GLY CA C 47.1 0.05 . 1149 . 103 GLY H H 8.91 0.02 . 1150 . 103 GLY N N 113.7 0.05 . 1151 . 104 ARG HB2 H 1.17 0.02 . 1152 . 104 ARG HD2 H 3.03 0.02 . 1153 . 104 ARG HG2 H 2.33 0.02 . 1154 . 104 ARG HB3 H 2.40 0.02 . 1155 . 104 ARG HD3 H 2.69 0.02 . 1156 . 104 ARG HG3 H 1.67 0.02 . 1157 . 104 ARG C C 176.0 0.05 . 1158 . 104 ARG CA C 54.6 0.05 . 1159 . 104 ARG CB C 31.9 0.05 . 1160 . 104 ARG CD C 44.8 0.05 . 1161 . 104 ARG CG C 27.4 0.05 . 1162 . 104 ARG HA H 5.40 0.02 . 1163 . 104 ARG H H 8.23 0.02 . 1164 . 104 ARG N N 125.8 0.05 . 1165 . 105 GLY HA2 H 4.70 0.02 . 1166 . 105 GLY HA3 H 3.97 0.02 . 1167 . 105 GLY C C 171.9 0.05 . 1168 . 105 GLY CA C 45.7 0.05 . 1169 . 105 GLY H H 8.83 0.02 . 1170 . 105 GLY N N 119.6 0.05 . 1171 . 106 TRP HB2 H 3.71 0.02 . 1172 . 106 TRP HB3 H 3.39 0.02 . 1173 . 106 TRP C C 175.0 0.05 . 1174 . 106 TRP CA C 55.7 0.05 . 1175 . 106 TRP CB C 32.7 0.05 . 1176 . 106 TRP HA H 5.61 0.02 . 1177 . 106 TRP HD1 H 6.92 0.02 . 1178 . 106 TRP HE1 H 9.97 0.02 . 1179 . 106 TRP H H 8.62 0.02 . 1180 . 106 TRP N N 120.3 0.05 . 1181 . 106 TRP NE1 N 135.1 0.05 . 1182 . 107 THR HG2 H 1.48 0.02 . 1183 . 107 THR C C 172.9 0.05 . 1184 . 107 THR CA C 62.3 0.05 . 1185 . 107 THR CB C 72.9 0.05 . 1186 . 107 THR CG2 C 22.8 0.05 . 1187 . 107 THR HA H 5.64 0.02 . 1188 . 107 THR HB H 4.13 0.02 . 1189 . 107 THR H H 9.69 0.02 . 1190 . 107 THR N N 120.6 0.05 . 1191 . 108 GLN HB2 H 1.94 0.02 . 1192 . 108 GLN HG2 H 2.00 0.02 . 1193 . 108 GLN HB3 H 1.94 0.02 . 1194 . 108 GLN HG3 H 2.00 0.02 . 1195 . 108 GLN HE21 H 3.83 0.02 . 1196 . 108 GLN HE22 H 3.60 0.02 . 1197 . 108 GLN C C 174.1 0.05 . 1198 . 108 GLN CA C 54.2 0.05 . 1199 . 108 GLN CB C 35.8 0.05 . 1200 . 108 GLN CG C 36.1 0.05 . 1201 . 108 GLN HA H 6.11 0.02 . 1202 . 108 GLN H H 9.98 0.02 . 1203 . 108 GLN N N 131.2 0.05 . 1204 . 108 GLN NE2 N 101.4 0.05 . 1205 . 109 TRP HB2 H 3.75 0.02 . 1206 . 109 TRP HB3 H 3.58 0.02 . 1207 . 109 TRP C C 171.9 0.05 . 1208 . 109 TRP CA C 57.7 0.05 . 1209 . 109 TRP CB C 31.9 0.05 . 1210 . 109 TRP HA H 5.45 0.02 . 1211 . 109 TRP HD1 H 7.20 0.02 . 1212 . 109 TRP HE1 H 11.23 0.02 . 1213 . 109 TRP H H 9.56 0.02 . 1214 . 109 TRP N N 129.4 0.05 . 1215 . 109 TRP NE1 N 137.6 0.05 . 1216 . 110 ILE HD1 H 0.60 0.02 . 1217 . 110 ILE HG12 H 1.32 0.02 . 1218 . 110 ILE HG2 H 0.94 0.02 . 1219 . 110 ILE HG13 H 0.81 0.02 . 1220 . 110 ILE C C 176.7 0.05 . 1221 . 110 ILE CA C 59.5 0.05 . 1222 . 110 ILE CB C 41.1 0.05 . 1223 . 110 ILE CD1 C 14.1 0.05 . 1224 . 110 ILE CG1 C 28.3 0.05 . 1225 . 110 ILE CG2 C 18.0 0.05 . 1226 . 110 ILE HA H 5.21 0.02 . 1227 . 110 ILE HB H 1.58 0.02 . 1228 . 110 ILE H H 9.31 0.02 . 1229 . 110 ILE N N 124.0 0.05 . 1230 . 111 GLU HB2 H 1.91 0.02 . 1231 . 111 GLU HG2 H 2.25 0.02 . 1232 . 111 GLU HB3 H 1.91 0.02 . 1233 . 111 GLU HG3 H 2.04 0.02 . 1234 . 111 GLU C C 176.9 0.05 . 1235 . 111 GLU CA C 55.2 0.05 . 1236 . 111 GLU CB C 31.3 0.05 . 1237 . 111 GLU CG C 35.4 0.05 . 1238 . 111 GLU HA H 4.67 0.02 . 1239 . 111 GLU H H 9.05 0.02 . 1240 . 111 GLU N N 129.9 0.05 . 1241 . 112 GLY HA2 H 4.09 0.02 . 1242 . 112 GLY HA3 H 3.73 0.02 . 1243 . 112 GLY C C 173.7 0.05 . 1244 . 112 GLY CA C 47.6 0.05 . 1245 . 112 GLY H H 9.20 0.02 . 1246 . 112 GLY N N 119.9 0.05 . 1247 . 113 ASP HB2 H 3.04 0.02 . 1248 . 113 ASP HB3 H 2.76 0.02 . 1249 . 113 ASP C C 174.5 0.05 . 1250 . 113 ASP CA C 53.5 0.05 . 1251 . 113 ASP CB C 40.4 0.05 . 1252 . 113 ASP HA H 4.84 0.02 . 1253 . 113 ASP H H 8.59 0.02 . 1254 . 113 ASP N N 130.6 0.05 . 1255 . 114 GLU HB2 H 2.57 0.02 . 1256 . 114 GLU HG2 H 2.60 0.02 . 1257 . 114 GLU HB3 H 1.79 0.02 . 1258 . 114 GLU HG3 H 2.05 0.02 . 1259 . 114 GLU C C 174.8 0.05 . 1260 . 114 GLU CA C 54.2 0.05 . 1261 . 114 GLU CB C 32.3 0.05 . 1262 . 114 GLU CG C 35.8 0.05 . 1263 . 114 GLU HA H 5.54 0.02 . 1264 . 114 GLU H H 8.41 0.02 . 1265 . 114 GLU N N 121.0 0.05 . 1266 . 115 LEU HB2 H 0.94 0.02 . 1267 . 115 LEU HD1 H -0.19 0.02 . 1268 . 115 LEU HD2 H -0.47 0.02 . 1269 . 115 LEU HB3 H 0.94 0.02 . 1270 . 115 LEU C C 174.6 0.05 . 1271 . 115 LEU CA C 53.8 0.05 . 1272 . 115 LEU CB C 43.9 0.05 . 1273 . 115 LEU CD1 C 25.3 0.05 . 1274 . 115 LEU CD2 C 24.6 0.05 . 1275 . 115 LEU CG C 26.5 0.05 . 1276 . 115 LEU HA H 4.44 0.02 . 1277 . 115 LEU HG H 0.69 0.02 . 1278 . 115 LEU H H 8.89 0.02 . 1279 . 115 LEU N N 129.3 0.05 . 1280 . 116 HIS HB2 H 0.80 0.02 . 1281 . 116 HIS HB3 H 0.55 0.02 . 1282 . 116 HIS C C 172.8 0.05 . 1283 . 116 HIS CA C 55.9 0.05 . 1284 . 116 HIS CB C 32.3 0.05 . 1285 . 116 HIS HA H 4.19 0.02 . 1286 . 116 HIS HD2 H 6.60 0.02 . 1287 . 116 HIS H H 9.22 0.02 . 1288 . 116 HIS N N 132.0 0.05 . 1289 . 117 LEU HB2 H 0.90 0.02 . 1290 . 117 LEU HG H 0.56 0.02 . 1291 . 117 LEU HD1 H 0.51 0.02 . 1292 . 117 LEU HD2 H 0.51 0.02 . 1293 . 117 LEU HB3 H 0.54 0.02 . 1294 . 117 LEU C C 174.0 0.05 . 1295 . 117 LEU CA C 53.2 0.05 . 1296 . 117 LEU CB C 46.1 0.05 . 1297 . 117 LEU CG C 26.6 0.05 . 1298 . 117 LEU CD1 C 23.0 0.05 . 1299 . 117 LEU CD2 C 23.0 0.05 . 1300 . 117 LEU HA H 5.19 0.02 . 1301 . 117 LEU H H 8.53 0.02 . 1302 . 117 LEU N N 126.5 0.05 . 1303 . 118 GLU HB2 H 2.21 0.02 . 1304 . 118 GLU HG2 H 2.41 0.02 . 1305 . 118 GLU HB3 H 2.21 0.02 . 1306 . 118 GLU HG3 H 2.11 0.02 . 1307 . 118 GLU C C 175.5 0.05 . 1308 . 118 GLU CA C 54.2 0.05 . 1309 . 118 GLU CB C 33.6 0.05 . 1310 . 118 GLU CG C 38.8 0.05 . 1311 . 118 GLU HA H 5.43 0.02 . 1312 . 118 GLU H H 9.47 0.02 . 1313 . 118 GLU N N 131.5 0.05 . 1314 . 119 MET HB2 H 1.66 0.02 . 1315 . 119 MET HG2 H 2.04 0.02 . 1316 . 119 MET HB3 H 1.46 0.02 . 1317 . 119 MET HG3 H 1.78 0.02 . 1318 . 119 MET C C 173.8 0.05 . 1319 . 119 MET CA C 54.6 0.05 . 1320 . 119 MET CB C 35.6 0.05 . 1321 . 119 MET CG C 33.6 0.05 . 1322 . 119 MET HA H 5.16 0.02 . 1323 . 119 MET H H 9.37 0.02 . 1324 . 119 MET N N 126.8 0.05 . 1325 . 120 ARG HB2 H 1.81 0.02 . 1326 . 120 ARG HD2 H 3.23 0.02 . 1327 . 120 ARG HG2 H 1.57 0.02 . 1328 . 120 ARG HB3 H 1.69 0.02 . 1329 . 120 ARG HD3 H 3.03 0.02 . 1330 . 120 ARG HG3 H 1.57 0.02 . 1331 . 120 ARG C C 176.4 0.05 . 1332 . 120 ARG CA C 53.9 0.05 . 1333 . 120 ARG CB C 35.1 0.05 . 1334 . 120 ARG CD C 42.5 0.05 . 1335 . 120 ARG CG C 26.9 0.05 . 1336 . 120 ARG HA H 6.00 0.02 . 1337 . 120 ARG HE H 7.55 0.02 . 1338 . 120 ARG H H 8.97 0.02 . 1339 . 120 ARG N N 122.9 0.05 . 1340 . 120 ARG NE N 119.8 0.05 . 1341 . 121 ALA HB H 1.18 0.02 . 1342 . 121 ALA C C 175.5 0.05 . 1343 . 121 ALA CA C 53.8 0.05 . 1344 . 121 ALA CB C 21.4 0.05 . 1345 . 121 ALA HA H 4.18 0.02 . 1346 . 121 ALA H H 8.55 0.02 . 1347 . 121 ALA N N 122.7 0.05 . 1348 . 122 GLU HB2 H 2.41 0.02 . 1349 . 122 GLU HG2 H 2.30 0.02 . 1350 . 122 GLU HB3 H 1.84 0.02 . 1351 . 122 GLU HG3 H 2.30 0.02 . 1352 . 122 GLU C C 176.0 0.05 . 1353 . 122 GLU CA C 56.9 0.05 . 1354 . 122 GLU CB C 27.2 0.05 . 1355 . 122 GLU CG C 36.1 0.05 . 1356 . 122 GLU HA H 3.73 0.02 . 1357 . 122 GLU H H 8.96 0.02 . 1358 . 122 GLU N N 121.4 0.05 . 1359 . 123 GLY HA2 H 4.17 0.02 . 1360 . 123 GLY HA3 H 3.57 0.02 . 1361 . 123 GLY C C 174.4 0.05 . 1362 . 123 GLY CA C 45.5 0.05 . 1363 . 123 GLY H H 8.94 0.02 . 1364 . 123 GLY N N 108.1 0.05 . 1365 . 124 VAL HG1 H 0.94 0.02 . 1366 . 124 VAL HG2 H 0.85 0.02 . 1367 . 124 VAL C C 175.4 0.05 . 1368 . 124 VAL CA C 62.3 0.05 . 1369 . 124 VAL CB C 32.7 0.05 . 1370 . 124 VAL CG1 C 21.3 0.05 . 1371 . 124 VAL CG2 C 21.1 0.05 . 1372 . 124 VAL HA H 4.18 0.02 . 1373 . 124 VAL HB H 2.27 0.02 . 1374 . 124 VAL H H 8.43 0.02 . 1375 . 124 VAL N N 128.2 0.05 . 1376 . 125 THR HG2 H 1.12 0.02 . 1377 . 125 THR C C 173.7 0.05 . 1378 . 125 THR CA C 61.2 0.05 . 1379 . 125 THR CB C 71.2 0.05 . 1380 . 125 THR CG2 C 21.9 0.05 . 1381 . 125 THR HA H 5.32 0.02 . 1382 . 125 THR HB H 3.91 0.02 . 1383 . 125 THR H H 8.57 0.02 . 1384 . 125 THR N N 124.3 0.05 . 1385 . 126 CYS HB2 H 3.12 0.02 . 1386 . 126 CYS HB3 H 2.01 0.02 . 1387 . 126 CYS C C 172.4 0.05 . 1388 . 126 CYS CA C 55.5 0.05 . 1389 . 126 CYS CB C 29.0 0.05 . 1390 . 126 CYS HA H 5.20 0.02 . 1391 . 126 CYS H H 9.56 0.02 . 1392 . 126 CYS N N 130.8 0.05 . 1393 . 127 LYS HB2 H 1.96 0.02 . 1394 . 127 LYS HD2 H 1.93 0.02 . 1395 . 127 LYS HE2 H 2.91 0.02 . 1396 . 127 LYS HG2 H 1.69 0.02 . 1397 . 127 LYS HB3 H 1.72 0.02 . 1398 . 127 LYS HD3 H 1.86 0.02 . 1399 . 127 LYS HE3 H 2.62 0.02 . 1400 . 127 LYS HG3 H 0.88 0.02 . 1401 . 127 LYS C C 175.2 0.05 . 1402 . 127 LYS CA C 53.2 0.05 . 1403 . 127 LYS CB C 34.9 0.05 . 1404 . 127 LYS CD C 26.9 0.05 . 1405 . 127 LYS CE C 42.5 0.05 . 1406 . 127 LYS CG C 25.2 0.05 . 1407 . 127 LYS HA H 5.51 0.02 . 1408 . 127 LYS H H 8.34 0.02 . 1409 . 127 LYS N N 131.1 0.05 . 1410 . 128 GLN HB2 H 1.82 0.02 . 1411 . 128 GLN HG2 H 2.19 0.02 . 1412 . 128 GLN HB3 H 1.82 0.02 . 1413 . 128 GLN HG3 H 2.19 0.02 . 1414 . 128 GLN C C 173.3 0.05 . 1415 . 128 GLN CA C 54.0 0.05 . 1416 . 128 GLN CB C 32.4 0.05 . 1417 . 128 GLN CG C 33.4 0.05 . 1418 . 128 GLN HA H 4.91 0.02 . 1419 . 128 GLN HE21 H 6.22 0.02 . 1420 . 128 GLN HE22 H 4.77 0.02 . 1421 . 128 GLN H H 9.72 0.02 . 1422 . 128 GLN N N 132.8 0.05 . 1423 . 128 GLN NE2 N 108.2 0.05 . 1424 . 129 VAL HG1 H 0.34 0.02 . 1425 . 129 VAL HG2 H 0.40 0.02 . 1426 . 129 VAL C C 174.6 0.05 . 1427 . 129 VAL CA C 60.4 0.05 . 1428 . 129 VAL CB C 34.1 0.05 . 1429 . 129 VAL CG1 C 21.4 0.05 . 1430 . 129 VAL CG2 C 21.3 0.05 . 1431 . 129 VAL HA H 4.70 0.02 . 1432 . 129 VAL HB H 1.59 0.02 . 1433 . 129 VAL H H 7.53 0.02 . 1434 . 129 VAL N N 123.1 0.05 . 1435 . 130 PHE HB2 H 2.88 0.02 . 1436 . 130 PHE HB3 H 2.88 0.02 . 1437 . 130 PHE C C 174.3 0.05 . 1438 . 130 PHE CA C 55.6 0.05 . 1439 . 130 PHE CB C 44.0 0.05 . 1440 . 130 PHE HA H 5.20 0.02 . 1441 . 130 PHE HD1 H 6.91 0.02 . 1442 . 130 PHE HD2 H 6.91 0.02 . 1443 . 130 PHE HE1 H 7.10 0.02 . 1444 . 130 PHE HE2 H 7.10 0.02 . 1445 . 130 PHE H H 9.55 0.02 . 1446 . 130 PHE N N 129.1 0.05 . 1447 . 131 LYS HB2 H 1.97 0.02 . 1448 . 131 LYS HD2 H 1.59 0.02 . 1449 . 131 LYS HE2 H 3.04 0.02 . 1450 . 131 LYS HG2 H 1.56 0.02 . 1451 . 131 LYS HB3 H 1.73 0.02 . 1452 . 131 LYS HD3 H 1.54 0.02 . 1453 . 131 LYS HE3 H 3.04 0.02 . 1454 . 131 LYS HG3 H 1.56 0.02 . 1455 . 131 LYS C C 176.0 0.05 . 1456 . 131 LYS CA C 54.2 0.05 . 1457 . 131 LYS CB C 36.5 0.05 . 1458 . 131 LYS CD C 26.7 0.05 . 1459 . 131 LYS CE C 41.8 0.05 . 1460 . 131 LYS CG C 24.8 0.05 . 1461 . 131 LYS HA H 5.33 0.02 . 1462 . 131 LYS H H 9.76 0.02 . 1463 . 131 LYS N N 126.4 0.05 . 1464 . 132 LYS HB2 H 1.33 0.02 . 1465 . 132 LYS HD2 H 1.06 0.02 . 1466 . 132 LYS HE2 H 2.52 0.02 . 1467 . 132 LYS HG2 H 0.70 0.02 . 1468 . 132 LYS HB3 H 1.16 0.02 . 1469 . 132 LYS HD3 H 1.06 0.02 . 1470 . 132 LYS HE3 H 2.52 0.02 . 1471 . 132 LYS HG3 H -0.21 0.02 . 1472 . 132 LYS C C 176.6 0.05 . 1473 . 132 LYS CA C 57.9 0.05 . 1474 . 132 LYS CB C 32.7 0.05 . 1475 . 132 LYS CD C 28.6 0.05 . 1476 . 132 LYS CE C 42.0 0.05 . 1477 . 132 LYS CG C 24.8 0.05 . 1478 . 132 LYS HA H 3.61 0.02 . 1479 . 132 LYS H H 8.93 0.02 . 1480 . 132 LYS N N 132.5 0.05 . 1481 . 133 VAL HG1 H 1.00 0.02 . 1482 . 133 VAL HG2 H 0.86 0.02 . 1483 . 133 VAL C C 175.7 0.05 . 1484 . 133 VAL CA C 62.7 0.05 . 1485 . 133 VAL CB C 32.7 0.05 . 1486 . 133 VAL CG1 C 21.8 0.05 . 1487 . 133 VAL CG2 C 21.0 0.05 . 1488 . 133 VAL HA H 4.10 0.02 . 1489 . 133 VAL HB H 1.97 0.02 . 1490 . 133 VAL H H 8.89 0.02 . 1491 . 133 VAL N N 129.9 0.05 . 1492 . 134 HIS HB2 H 3.14 0.02 . 1493 . 134 HIS HB3 H 3.01 0.02 . 1494 . 134 HIS C C 178.9 0.05 . 1495 . 134 HIS CA C 57.2 0.05 . 1496 . 134 HIS CB C 30.9 0.05 . 1497 . 134 HIS HA H 4.32 0.02 . 1498 . 134 HIS HD2 H 6.94 0.02 . 1499 . 134 HIS H H 7.89 0.02 . 1500 . 134 HIS N N 129.9 0.05 . stop_ save_