data_5407 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure and characterization of the heme chaperone CcmE ; _BMRB_accession_number 5407 _BMRB_flat_file_name bmr5407.str _Entry_type original _Submission_date 2002-07-01 _Accession_date 2002-07-01 _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 Arnesano F. . . 2 Banci L. . . 3 Barker P. D. . 4 Bertini I. . . 5 Rosato A. . . 6 Su X. C. . 7 Viezzoli M. S. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 584 "13C chemical shifts" 417 "15N chemical shifts" 115 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-02-20 original author . stop_ _Original_release_date 2003-02-20 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Structure and Characterization of the Heme Chaperone CcmE' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 22314689 _PubMed_ID 12427019 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Arnesano F. . . 2 Banci L. . . 3 Barker P. D. . 4 Bertini I. . . 5 Rosato A. . . 6 Su X. C. . 7 Viezzoli M. S. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 41 _Journal_issue 46 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 13587 _Page_last 13594 _Year 2002 _Details . loop_ _Keyword 'all-beta protein' 'heme delivery' 'cytochrome c maturation' 'OB-(oligonucleotide binding)fold' stop_ save_ ################################## # Molecular system description # ################################## save_system_ccme _Saveframe_category molecular_system _Mol_system_name 'cytochrome c maturation protein E' _Abbreviation_common ccme _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'cytochrome c maturation protein E' $ccme stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ccme _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ccme _Abbreviation_common ccme _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 161 _Mol_residue_sequence ; MNPRRKKRLTLAVALIGGVA AIASLLLYALNSNLNLFYTP SEIVNGKTDTGVKPEAGQRI RVGGMVTVGSMVRDPNSLHV QFAVHDSLGGEILVTYDDLL PDLFREGQGIVAQGVLGEDG KLAATEVLAKHDENYMPPEV AEAMGQKHEKLDYSQQKSAT Q ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASN 3 PRO 4 ARG 5 ARG 6 LYS 7 LYS 8 ARG 9 LEU 10 THR 11 LEU 12 ALA 13 VAL 14 ALA 15 LEU 16 ILE 17 GLY 18 GLY 19 VAL 20 ALA 21 ALA 22 ILE 23 ALA 24 SER 25 LEU 26 LEU 27 LEU 28 TYR 29 ALA 30 LEU 31 ASN 32 SER 33 ASN 34 LEU 35 ASN 36 LEU 37 PHE 38 TYR 39 THR 40 PRO 41 SER 42 GLU 43 ILE 44 VAL 45 ASN 46 GLY 47 LYS 48 THR 49 ASP 50 THR 51 GLY 52 VAL 53 LYS 54 PRO 55 GLU 56 ALA 57 GLY 58 GLN 59 ARG 60 ILE 61 ARG 62 VAL 63 GLY 64 GLY 65 MET 66 VAL 67 THR 68 VAL 69 GLY 70 SER 71 MET 72 VAL 73 ARG 74 ASP 75 PRO 76 ASN 77 SER 78 LEU 79 HIS 80 VAL 81 GLN 82 PHE 83 ALA 84 VAL 85 HIS 86 ASP 87 SER 88 LEU 89 GLY 90 GLY 91 GLU 92 ILE 93 LEU 94 VAL 95 THR 96 TYR 97 ASP 98 ASP 99 LEU 100 LEU 101 PRO 102 ASP 103 LEU 104 PHE 105 ARG 106 GLU 107 GLY 108 GLN 109 GLY 110 ILE 111 VAL 112 ALA 113 GLN 114 GLY 115 VAL 116 LEU 117 GLY 118 GLU 119 ASP 120 GLY 121 LYS 122 LEU 123 ALA 124 ALA 125 THR 126 GLU 127 VAL 128 LEU 129 ALA 130 LYS 131 HIS 132 ASP 133 GLU 134 ASN 135 TYR 136 MET 137 PRO 138 PRO 139 GLU 140 VAL 141 ALA 142 GLU 143 ALA 144 MET 145 GLY 146 GLN 147 LYS 148 HIS 149 GLU 150 LYS 151 LEU 152 ASP 153 TYR 154 SER 155 GLN 156 GLN 157 LYS 158 SER 159 ALA 160 THR 161 GLN 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 1J6Q "Solution Structure And Characterization Of The Heme Chaperone Ccme" 81.99 136 100.00 100.00 9.26e-91 PDB 1LM0 "Solution Structure And Characterization Of The Heme Chaperone Ccme" 81.99 136 100.00 100.00 9.26e-91 GB AAC02697 "cytochrome c maturation protein E [Shewanella putrefaciens]" 100.00 161 100.00 100.00 2.20e-112 GB AAN53344 "ABC-type heme export system chaperone component CcmE [Shewanella oneidensis MR-1]" 100.00 161 100.00 100.00 2.20e-112 GB ABI37308 "CcmE/CycJ protein [Shewanella sp. MR-4]" 100.00 161 97.52 98.76 3.11e-110 GB ABI41227 "CcmE/CycJ protein [Shewanella sp. MR-7]" 100.00 161 97.52 98.76 3.11e-110 GB ABK46471 "CcmE/CycJ protein [Shewanella sp. ANA-3]" 100.00 161 98.76 99.38 1.62e-110 REF NP_715899 "ABC-type heme export system chaperone component CcmE [Shewanella oneidensis MR-1]" 100.00 161 100.00 100.00 2.20e-112 REF WP_007644472 "cytochrome C biogenesis protein CcdA [Shewanella sp. HN-41]" 98.14 162 98.10 99.37 1.13e-107 REF WP_011070633 "cytochrome C biogenesis protein CcdA [Shewanella oneidensis]" 100.00 161 100.00 100.00 2.20e-112 REF WP_011621035 "MULTISPECIES: cytochrome C biogenesis protein CcdA [Shewanella]" 100.00 161 97.52 98.76 3.11e-110 REF WP_011715470 "cytochrome C biogenesis protein CcdA [Shewanella sp. ANA-3]" 100.00 161 98.76 99.38 1.62e-110 SP A0KRQ2 "RecName: Full=Cytochrome c-type biogenesis protein CcmE; AltName: Full=Cytochrome c maturation protein E; AltName: Full=Heme ch" 100.00 161 98.76 99.38 1.62e-110 SP Q0HNQ9 "RecName: Full=Cytochrome c-type biogenesis protein CcmE; AltName: Full=Cytochrome c maturation protein E; AltName: Full=Heme ch" 100.00 161 97.52 98.76 3.11e-110 SP Q0I078 "RecName: Full=Cytochrome c-type biogenesis protein CcmE; AltName: Full=Cytochrome c maturation protein E; AltName: Full=Heme ch" 100.00 161 97.52 98.76 3.11e-110 SP Q8EK44 "RecName: Full=Cytochrome c-type biogenesis protein CcmE; AltName: Full=Cytochrome c maturation protein E; AltName: Full=Heme ch" 100.00 161 100.00 100.00 2.20e-112 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $ccme 'Shewanella putrefaciens' . Eubacteria . Schewanella putrefaciens 'BL21 Gold(DE3)' 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 $ccme 'recombinant technology' 'E. coli' Escherichia coli 'BL21Gold (DE3)' 'Plasmid PPB10' 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 $ccme 2.0 mM '[U-13C; U-15N]' phosphate 20 mM . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version 2.6 loop_ _Task processing stop_ _Details Bruker save_ save_xeasy _Saveframe_category software _Name xeasy _Version 1.3 loop_ _Task 'data analysis' stop_ _Details 'Xia, Bartels' save_ save_DYANA _Saveframe_category software _Name DYANA _Version 1.5 loop_ _Task 'structure solution' stop_ _Details 'Gunter, Mumenthaler, Wuthrich' save_ save_CORMA _Saveframe_category software _Name CORMA _Version . loop_ _Task 'iterative matrix relaxation' stop_ _Details 'Borgias, Thomas, James' save_ save_AMBER _Saveframe_category software _Name AMBER _Version 5.0 loop_ _Task refinement stop_ _Details ; Pearlman, Case, Caldwell, Ross, Cheatham, Ferguson, Seibel, Singh, Weiner, Kollman. ; save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label . save_ save_2D_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _Sample_label . save_ save_3D_13C-separated_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label . save_ save_3D_15N-separated_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label . save_ save_HNHA_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HNHB_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNHB _Sample_label . save_ save_CBCANH_8 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _Sample_label . save_ save_CC(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name CC(CO)NH _Sample_label . save_ save_CBCA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNHB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name CC(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 0.05 na temperature 298 1 K 'ionic strength' 20 . mM pressure 1 . atm stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio TMS H 1 'methyl protons' ppm 0.00 internal direct cylindrical internal parallel 1.00000000 TMS C 13 'methyl protons' ppm 0.00 external indirect . . . 0.25144952 TMS N 15 'methyl protons' ppm 0.00 external indirect . . . 0.10132912 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D NOESY' '2D TOCSY' '3D 13C-separated NOESY' '3D 15N-separated NOESY' HNHA HNCO HNHB CBCANH CC(CO)NH CBCA(CO)NH stop_ loop_ _Sample_label $Sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'cytochrome c maturation protein E' _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 . 30 LEU H H 8.389 0.05 . 2 . 30 LEU HA H 3.624 0.05 . 3 . 30 LEU HB2 H 1.608 0.05 . 4 . 30 LEU HB3 H 1.571 0.05 . 5 . 30 LEU HG H 1.588 0.05 . 6 . 30 LEU HD1 H 0.854 0.05 . 7 . 30 LEU HD2 H 0.839 0.05 . 8 . 30 LEU N N 123.020 0.05 . 9 . 30 LEU C C 174.689 0.05 . 10 . 30 LEU CA C 53.29 0.05 . 11 . 30 LEU CB C 39.68 0.05 . 12 . 31 ASN H H 8.404 0.05 . 13 . 31 ASN HA H 4.609 0.05 . 14 . 31 ASN HB2 H 2.749 0.002 . 15 . 31 ASN HB3 H 2.672 0.003 . 16 . 31 ASN HD21 H 7.481 0.05 . 17 . 31 ASN HD22 H 6.812 0.05 . 18 . 31 ASN N N 118.162 0.05 . 19 . 31 ASN C C 172.918 0.05 . 20 . 31 ASN CA C 51.233 0.05 . 21 . 31 ASN CB C 36.256 0.05 . 22 . 32 SER H H 8.075 0.05 . 23 . 32 SER HA H 4.264 0.05 . 24 . 32 SER HB2 H 3.807 0.005 . 25 . 32 SER HB3 H 3.743 0.05 . 26 . 32 SER N N 115.571 0.05 . 27 . 32 SER C C 171.725 0.05 . 28 . 32 SER CA C 56.503 0.05 . 29 . 32 SER CB C 61.218 0.05 . 30 . 33 ASN H H 8.361 0.001 . 31 . 33 ASN HA H 4.207 0.001 . 32 . 33 ASN HB2 H 2.269 0.05 . 33 . 33 ASN HB3 H 2.106 0.05 . 34 . 33 ASN N N 119.458 0.05 . 35 . 33 ASN C C 172.506 0.05 . 36 . 33 ASN CA C 50.98 0.05 . 37 . 33 ASN CB C 36.12 0.05 . 38 . 34 LEU H H 7.949 0.05 . 39 . 34 LEU HA H 4.103 0.05 . 40 . 34 LEU HB2 H 1.783 0.05 . 41 . 34 LEU HB3 H 1.482 0.05 . 42 . 34 LEU HG H 1.522 0.05 . 43 . 34 LEU HD1 H 0.819 0.05 . 44 . 34 LEU HD2 H 0.756 0.05 . 45 . 34 LEU N N 120.753 0.05 . 46 . 34 LEU C C 174.283 0.05 . 47 . 34 LEU CA C 52.897 0.05 . 48 . 34 LEU CB C 39.584 0.05 . 49 . 34 LEU CG C 24.329 0.05 . 50 . 34 LEU CD1 C 22.943 0.05 . 51 . 34 LEU CD2 C 20.724 0.05 . 52 . 35 ASN H H 8.252 0.05 . 53 . 35 ASN HA H 4.605 0.05 . 54 . 35 ASN HB2 H 2.740 0.008 . 55 . 35 ASN HB3 H 2.681 0.05 . 56 . 35 ASN HD21 H 7.578 0.05 . 57 . 35 ASN HD22 H 6.819 0.05 . 58 . 35 ASN N N 118.486 0.05 . 59 . 35 ASN C C 171.960 0.05 . 60 . 35 ASN CA C 50.956 0.05 . 61 . 35 ASN CB C 36.256 0.05 . 62 . 36 LEU H H 8.109 0.05 . 63 . 36 LEU HA H 4.142 0.05 . 64 . 36 LEU HB2 H 1.656 0.003 . 65 . 36 LEU HB3 H 1.324 0.05 . 66 . 36 LEU HG H 1.496 0.05 . 67 . 36 LEU HD1 H 0.823 0.05 . 68 . 36 LEU HD2 H 0.753 0.001 . 69 . 36 LEU N N 121.401 0.05 . 70 . 36 LEU C C 172.313 0.05 . 71 . 36 LEU CA C 53.174 0.05 . 72 . 36 LEU CB C 40.139 0.05 . 73 . 36 LEU CG C 24.607 0.05 . 74 . 36 LEU CD1 C 22.665 0.05 . 75 . 36 LEU CD2 C 20.724 0.05 . 76 . 37 PHE H H 7.774 0.05 . 77 . 37 PHE HA H 4.888 0.05 . 78 . 37 PHE HB2 H 2.812 0.05 . 79 . 37 PHE HB3 H 2.711 0.05 . 80 . 37 PHE HD1 H 6.869 0.05 . 81 . 37 PHE HE1 H 6.768 0.001 . 82 . 37 PHE HZ H 7.063 0.05 . 83 . 37 PHE N N 119.781 0.05 . 84 . 37 PHE C C 171.588 0.05 . 85 . 37 PHE CA C 54.561 0.05 . 86 . 37 PHE CB C 38.752 0.05 . 87 . 38 TYR H H 8.645 0.001 . 88 . 38 TYR HA H 4.585 0.05 . 89 . 38 TYR HB2 H 2.929 0.05 . 90 . 38 TYR HB3 H 2.360 0.05 . 91 . 38 TYR HD1 H 6.898 0.05 . 92 . 38 TYR HE1 H 6.990 0.001 . 93 . 38 TYR N N 125.288 0.05 . 94 . 38 TYR C C 172.503 0.05 . 95 . 38 TYR CA C 55.116 0.05 . 96 . 38 TYR CB C 40.416 0.05 . 97 . 39 THR H H 8.445 0.05 . 98 . 39 THR HA H 5.037 0.05 . 99 . 39 THR HB H 4.868 0.05 . 100 . 39 THR HG2 H 1.370 0.05 . 101 . 39 THR N N 110.065 0.05 . 102 . 39 THR CA C 57.335 0.05 . 103 . 39 THR CB C 65.656 0.05 . 104 . 39 THR CG2 C 19.892 0.05 . 105 . 40 PRO HA H 3.808 0.001 . 106 . 40 PRO HB2 H 1.956 0.05 . 107 . 40 PRO HB3 H 1.956 0.05 . 108 . 40 PRO HG2 H 1.647 0.001 . 109 . 40 PRO HG3 H 1.315 0.001 . 110 . 40 PRO HD2 H 4.148 0.05 . 111 . 40 PRO HD3 H 3.890 0.001 . 112 . 40 PRO C C 175.788 0.05 . 113 . 40 PRO CD C 47.073 0.05 . 114 . 40 PRO CA C 63.991 0.05 . 115 . 40 PRO CB C 29.599 0.05 . 116 . 40 PRO CG C 26.548 0.05 . 117 . 41 SER H H 8.948 0.001 . 118 . 41 SER HA H 3.967 0.001 . 119 . 41 SER HB2 H 3.797 0.05 . 120 . 41 SER HB3 H 3.691 0.05 . 121 . 41 SER N N 112.008 0.05 . 122 . 41 SER C C 173.166 0.05 . 123 . 41 SER CA C 60.940 0.05 . 124 . 41 SER CB C 59.831 0.05 . 125 . 42 GLU H H 7.637 0.05 . 126 . 42 GLU HA H 3.943 0.003 . 127 . 42 GLU HB2 H 2.586 0.05 . 128 . 42 GLU HB3 H 1.873 0.001 . 129 . 42 GLU HG2 H 2.477 0.05 . 130 . 42 GLU HG3 H 2.246 0.05 . 131 . 42 GLU N N 120.105 0.05 . 132 . 42 GLU C C 176.046 0.05 . 133 . 42 GLU CA C 55.116 0.05 . 134 . 42 GLU CB C 29.876 0.05 . 135 . 42 GLU CG C 35.701 0.05 . 136 . 43 ILE H H 7.516 0.05 . 137 . 43 ILE HA H 3.142 0.001 . 138 . 43 ILE HB H 1.955 0.05 . 139 . 43 ILE HG2 H 0.580 0.05 . 140 . 43 ILE HG12 H 1.482 0.05 . 141 . 43 ILE HG13 H 0.588 0.05 . 142 . 43 ILE HD1 H 0.396 0.05 . 143 . 43 ILE N N 118.810 0.05 . 144 . 43 ILE C C 173.549 0.05 . 145 . 43 ILE CA C 61.773 0.05 . 146 . 43 ILE CB C 34.314 0.05 . 147 . 43 ILE CG2 C 14.899 0.05 . 148 . 43 ILE CG1 C 26.271 0.05 . 149 . 43 ILE CD1 C 11.294 0.05 . 150 . 44 VAL H H 6.841 0.05 . 151 . 44 VAL HA H 3.754 0.05 . 152 . 44 VAL HB H 1.893 0.001 . 153 . 44 VAL HG1 H 0.924 0.001 . 154 . 44 VAL HG2 H 0.842 0.05 . 155 . 44 VAL N N 112.656 0.05 . 156 . 44 VAL C C 174.662 0.05 . 157 . 44 VAL CA C 62.050 0.05 . 158 . 44 VAL CB C 30.431 0.05 . 159 . 44 VAL CG1 C 18.505 0.05 . 160 . 44 VAL CG2 C 18.505 0.05 . 161 . 45 ASN H H 8.151 0.05 . 162 . 45 ASN HA H 4.777 0.05 . 163 . 45 ASN HB2 H 2.776 0.05 . 164 . 45 ASN HB3 H 2.695 0.05 . 165 . 45 ASN HD21 H 7.356 0.05 . 166 . 45 ASN HD22 H 6.949 0.001 . 167 . 45 ASN N N 113.628 0.05 . 168 . 45 ASN ND2 N 113.63 0.05 . 169 . 45 ASN C C 173.617 0.05 . 170 . 45 ASN CA C 51.510 0.05 . 171 . 45 ASN CB C 38.197 0.05 . 172 . 46 GLY H H 7.769 0.05 . 173 . 46 GLY HA2 H 3.913 0.001 . 174 . 46 GLY HA3 H 3.508 0.001 . 175 . 46 GLY N N 109.741 0.05 . 176 . 46 GLY C C 170.175 0.05 . 177 . 46 GLY CA C 41.803 0.05 . 178 . 47 LYS H H 7.974 0.05 . 179 . 47 LYS HA H 4.111 0.05 . 180 . 47 LYS HB2 H 2.055 0.05 . 181 . 47 LYS HB3 H 1.802 0.05 . 182 . 47 LYS HG2 H 1.465 0.05 . 183 . 47 LYS HG3 H 1.465 0.05 . 184 . 47 LYS HD2 H 1.327 0.05 . 185 . 47 LYS HD3 H 1.275 0.05 . 186 . 47 LYS HE2 H 2.837 0.05 . 187 . 47 LYS HE3 H 2.571 0.006 . 188 . 47 LYS N N 119.134 0.05 . 189 . 47 LYS C C 176.300 0.05 . 190 . 47 LYS CA C 53.729 0.05 . 191 . 47 LYS CB C 29.599 0.05 . 192 . 47 LYS CG C 22.110 0.05 . 193 . 47 LYS CD C 25.716 0.05 . 194 . 47 LYS CE C 39.029 0.05 . 195 . 48 THR H H 9.378 0.05 . 196 . 48 THR HA H 3.840 0.05 . 197 . 48 THR HB H 4.071 0.05 . 198 . 48 THR HG2 H 1.190 0.05 . 199 . 48 THR N N 120.105 0.05 . 200 . 48 THR C C 172.600 0.05 . 201 . 48 THR CA C 63.437 0.05 . 202 . 48 THR CB C 66.488 0.05 . 203 . 48 THR CG2 C 19.337 0.05 . 204 . 49 ASP H H 8.737 0.05 . 205 . 49 ASP HA H 4.402 0.001 . 206 . 49 ASP HB2 H 2.679 0.05 . 207 . 49 ASP HB3 H 2.679 0.05 . 208 . 49 ASP N N 116.866 0.05 . 209 . 49 ASP C C 174.995 0.05 . 210 . 49 ASP CA C 53.452 0.05 . 211 . 49 ASP CB C 37.37 0.05 . 212 . 50 THR H H 7.639 0.001 . 213 . 50 THR HA H 4.341 0.001 . 214 . 50 THR HB H 4.269 0.05 . 215 . 50 THR HG2 H 1.079 0.05 . 216 . 50 THR N N 107.474 0.05 . 217 . 50 THR C C 173.650 0.05 . 218 . 50 THR CA C 59.276 0.05 . 219 . 50 THR CB C 68.152 0.05 . 220 . 50 THR CG2 C 19.060 0.05 . 221 . 51 GLY H H 8.403 0.05 . 222 . 51 GLY HA2 H 4.078 0.05 . 223 . 51 GLY HA3 H 3.785 0.05 . 224 . 51 GLY N N 110.712 0.05 . 225 . 51 GLY C C 171.276 0.05 . 226 . 51 GLY CA C 43.467 0.05 . 227 . 52 VAL H H 7.398 0.05 . 228 . 52 VAL HA H 3.882 0.05 . 229 . 52 VAL HB H 1.790 0.05 . 230 . 52 VAL HG1 H 0.854 0.001 . 231 . 52 VAL HG2 H 0.843 0.001 . 232 . 52 VAL N N 119.458 0.05 . 233 . 52 VAL C C 173.782 0.05 . 234 . 52 VAL CA C 61.218 0.05 . 235 . 52 VAL CB C 30.431 0.05 . 236 . 52 VAL CG1 C 19.060 0.05 . 237 . 52 VAL CG2 C 19.060 0.05 . 238 . 53 LYS H H 8.667 0.05 . 239 . 53 LYS HA H 4.601 0.05 . 240 . 53 LYS HB2 H 1.698 0.05 . 241 . 53 LYS HB3 H 1.517 0.05 . 242 . 53 LYS HG2 H 1.594 0.05 . 243 . 53 LYS HG3 H 1.316 0.001 . 244 . 53 LYS HD2 H 1.538 0.05 . 245 . 53 LYS HD3 H 1.538 0.05 . 246 . 53 LYS HE2 H 2.822 0.001 . 247 . 53 LYS HE3 H 2.699 0.001 . 248 . 53 LYS N N 128.850 0.05 . 249 . 53 LYS CA C 51.510 0.05 . 250 . 53 LYS CB C 30.986 0.05 . 251 . 53 LYS CG C 22.388 0.05 . 252 . 53 LYS CD C 26.826 0.05 . 253 . 53 LYS CE C 39.584 0.05 . 254 . 54 PRO HA H 4.467 0.05 . 255 . 54 PRO HB2 H 1.634 0.05 . 256 . 54 PRO HB3 H 1.431 0.001 . 257 . 54 PRO HG2 H 1.409 0.05 . 258 . 54 PRO HG3 H 0.794 0.05 . 259 . 54 PRO HD2 H 3.578 0.05 . 260 . 54 PRO HD3 H 3.237 0.001 . 261 . 54 PRO C C 172.201 0.05 . 262 . 54 PRO CA C 59.78 0.05 . 263 . 54 PRO CB C 29.38 0.05 . 264 . 54 PRO CG C 24.67 0.05 . 265 . 54 PRO CD C 47.05 0.05 . 266 . 55 GLU H H 7.682 0.05 . 267 . 55 GLU HA H 4.299 0.05 . 268 . 55 GLU HB2 H 1.936 0.001 . 269 . 55 GLU HB3 H 1.622 0.05 . 270 . 55 GLU HG2 H 2.139 0.001 . 271 . 55 GLU HG3 H 2.139 0.001 . 272 . 55 GLU N N 118.162 0.05 . 273 . 55 GLU C C 172.767 0.05 . 274 . 55 GLU CA C 51.510 0.05 . 275 . 55 GLU CB C 30.154 0.05 . 276 . 55 GLU CG C 33.482 0.05 . 277 . 56 ALA H H 8.391 0.05 . 278 . 56 ALA HA H 3.715 0.05 . 279 . 56 ALA HB H 1.144 0.05 . 280 . 56 ALA N N 122.373 0.05 . 281 . 56 ALA C C 176.090 0.05 . 282 . 56 ALA CA C 50.956 0.05 . 283 . 56 ALA CB C 15.177 0.05 . 284 . 57 GLY H H 9.264 0.05 . 285 . 57 GLY HA2 H 4.235 0.001 . 286 . 57 GLY HA3 H 3.369 0.05 . 287 . 57 GLY N N 110.712 0.05 . 288 . 57 GLY C C 171.479 0.05 . 289 . 57 GLY CA C 42.358 0.05 . 290 . 58 GLN H H 7.787 0.05 . 291 . 58 GLN HA H 4.193 0.05 . 292 . 58 GLN HB2 H 2.104 0.05 . 293 . 58 GLN HB3 H 1.851 0.001 . 294 . 58 GLN HG2 H 2.360 0.05 . 295 . 58 GLN HG3 H 2.266 0.05 . 296 . 58 GLN HE21 H 7.611 0.001 . 297 . 58 GLN HE22 H 6.909 0.05 . 298 . 58 GLN N N 120.105 0.05 . 299 . 58 GLN NE2 N 111.36 0.05 . 300 . 58 GLN C C 172.165 0.05 . 301 . 58 GLN CA C 53.729 0.05 . 302 . 58 GLN CB C 27.658 0.05 . 303 . 58 GLN CG C 32.095 0.05 . 304 . 59 ARG H H 8.359 0.05 . 305 . 59 ARG HA H 4.842 0.05 . 306 . 59 ARG HB2 H 1.709 0.05 . 307 . 59 ARG HB3 H 1.607 0.05 . 308 . 59 ARG HG2 H 1.511 0.001 . 309 . 59 ARG HG3 H 1.337 0.05 . 310 . 59 ARG HD2 H 3.060 0.001 . 311 . 59 ARG HD3 H 3.060 0.001 . 312 . 59 ARG N N 123.668 0.05 . 313 . 59 ARG C C 173.343 0.05 . 314 . 59 ARG CA C 53.174 0.05 . 315 . 59 ARG CB C 27.658 0.05 . 316 . 59 ARG CG C 25.439 0.05 . 317 . 59 ARG CD C 41.248 0.05 . 318 . 60 ILE H H 8.822 0.05 . 319 . 60 ILE HA H 4.917 0.05 . 320 . 60 ILE HB H 1.945 0.05 . 321 . 60 ILE HG2 H 0.725 0.05 . 322 . 60 ILE HG12 H 0.980 0.05 . 323 . 60 ILE HG13 H 0.780 0.001 . 324 . 60 ILE HD1 H 0.299 0.001 . 325 . 60 ILE N N 119.134 0.05 . 326 . 60 ILE C C 170.776 0.05 . 327 . 60 ILE CA C 57.335 0.05 . 328 . 60 ILE CB C 40.971 0.05 . 329 . 60 ILE CG2 C 16.009 0.05 . 330 . 60 ILE CG1 C 22.388 0.05 . 331 . 60 ILE CD1 C 12.403 0.05 . 332 . 61 ARG H H 8.408 0.05 . 333 . 61 ARG HA H 5.261 0.05 . 334 . 61 ARG HB2 H 1.608 0.05 . 335 . 61 ARG HB3 H 1.573 0.001 . 336 . 61 ARG HG2 H 1.513 0.05 . 337 . 61 ARG HG3 H 1.384 0.003 . 338 . 61 ARG HD2 H 3.105 0.05 . 339 . 61 ARG HD3 H 3.105 0.05 . 340 . 61 ARG N N 119.458 0.05 . 341 . 61 ARG C C 171.706 0.05 . 342 . 61 ARG CA C 51.788 0.05 . 343 . 61 ARG CB C 31.541 0.05 . 344 . 61 ARG CG C 25.993 0.05 . 345 . 61 ARG CD C 42.90 0.05 . 346 . 62 VAL H H 9.016 0.05 . 347 . 62 VAL HA H 5.206 0.05 . 348 . 62 VAL HB H 1.484 0.05 . 349 . 62 VAL HG1 H 0.592 0.001 . 350 . 62 VAL HG2 H 0.520 0.05 . 351 . 62 VAL N N 120.429 0.05 . 352 . 62 VAL C C 170.988 0.05 . 353 . 62 VAL CA C 56.225 0.05 . 354 . 62 VAL CB C 32.927 0.05 . 355 . 62 VAL CG1 C 20.169 0.05 . 356 . 62 VAL CG2 C 17.950 0.05 . 357 . 63 GLY H H 7.271 0.05 . 358 . 63 GLY HA2 H 5.194 0.05 . 359 . 63 GLY HA3 H 3.225 0.05 . 360 . 63 GLY N N 112.008 0.05 . 361 . 63 GLY C C 169.381 0.05 . 362 . 63 GLY CA C 41.248 0.05 . 363 . 64 GLY H H 7.758 0.05 . 364 . 64 GLY HA2 H 3.740 0.05 . 365 . 64 GLY HA3 H 3.603 0.002 . 366 . 64 GLY N N 105.206 0.05 . 367 . 64 GLY C C 167.966 0.05 . 368 . 64 GLY CA C 42.635 0.05 . 369 . 65 MET H H 8.612 0.05 . 370 . 65 MET HA H 4.564 0.05 . 371 . 65 MET HB2 H 1.037 0.05 . 372 . 65 MET HB3 H 0.839 0.05 . 373 . 65 MET HG2 H 2.204 0.05 . 374 . 65 MET HG3 H 2.157 0.05 . 375 . 65 MET HE H 1.937 0.05 . 376 . 65 MET N N 117.838 0.05 . 377 . 65 MET C C 172.856 0.05 . 378 . 65 MET CA C 50.956 0.05 . 379 . 65 MET CB C 31.263 0.05 . 380 . 65 MET CG C 29.322 0.05 . 381 . 65 MET CE C 30.986 0.05 . 382 . 66 VAL H H 8.081 0.05 . 383 . 66 VAL HA H 4.401 0.05 . 384 . 66 VAL HB H 1.915 0.05 . 385 . 66 VAL HG1 H 0.817 0.001 . 386 . 66 VAL HG2 H 0.521 0.05 . 387 . 66 VAL N N 122.696 0.05 . 388 . 66 VAL C C 175.097 0.05 . 389 . 66 VAL CA C 60.663 0.05 . 390 . 66 VAL CB C 29.599 0.05 . 391 . 66 VAL CG1 C 18.505 0.05 . 392 . 66 VAL CG2 C 20.446 0.05 . 393 . 67 THR H H 9.127 0.05 . 394 . 67 THR HA H 4.216 0.05 . 395 . 67 THR HB H 3.952 0.05 . 396 . 67 THR HG2 H 1.245 0.05 . 397 . 67 THR N N 127.879 0.05 . 398 . 67 THR C C 172.888 0.05 . 399 . 67 THR CA C 61.218 0.05 . 400 . 67 THR CB C 66.488 0.05 . 401 . 67 THR CG2 C 19.337 0.05 . 402 . 68 VAL H H 9.393 0.05 . 403 . 68 VAL HA H 3.758 0.05 . 404 . 68 VAL HB H 1.925 0.05 . 405 . 68 VAL HG1 H 0.950 0.001 . 406 . 68 VAL HG2 H 0.867 0.05 . 407 . 68 VAL N N 133.061 0.05 . 408 . 68 VAL C C 174.396 0.05 . 409 . 68 VAL CA C 62.327 0.05 . 410 . 68 VAL CB C 29.044 0.05 . 411 . 68 VAL CG1 C 19.614 0.05 . 412 . 68 VAL CG2 C 18.227 0.05 . 413 . 69 GLY H H 9.378 0.05 . 414 . 69 GLY HA2 H 4.073 0.05 . 415 . 69 GLY HA3 H 3.840 0.05 . 416 . 69 GLY N N 116.543 0.05 . 417 . 69 GLY C C 172.264 0.05 . 418 . 69 GLY CA C 43.190 0.05 . 419 . 70 SER H H 7.696 0.05 . 420 . 70 SER HA H 4.337 0.001 . 421 . 70 SER HB2 H 4.070 0.05 . 422 . 70 SER HB3 H 3.490 0.05 . 423 . 70 SER HG H 6.124 0.05 . 424 . 70 SER N N 112.656 0.05 . 425 . 70 SER C C 171.497 0.05 . 426 . 70 SER CA C 56.780 0.05 . 427 . 70 SER CB C 62.882 0.05 . 428 . 71 MET H H 8.373 0.05 . 429 . 71 MET HA H 5.081 0.05 . 430 . 71 MET HB2 H 2.093 0.05 . 431 . 71 MET HB3 H 1.966 0.05 . 432 . 71 MET HG2 H 2.380 0.001 . 433 . 71 MET HG3 H 2.349 0.001 . 434 . 71 MET HE H 1.761 0.001 . 435 . 71 MET N N 122.696 0.05 . 436 . 71 MET C C 174.111 0.05 . 437 . 71 MET CA C 54.284 0.05 . 438 . 71 MET CB C 30.154 0.05 . 439 . 71 MET CG C 29.876 0.05 . 440 . 71 MET CE C 26.548 0.05 . 441 . 72 VAL H H 9.436 0.05 . 442 . 72 VAL HA H 4.210 0.05 . 443 . 72 VAL HB H 1.921 0.05 . 444 . 72 VAL HG1 H 0.856 0.05 . 445 . 72 VAL HG2 H 0.828 0.05 . 446 . 72 VAL N N 128.526 0.05 . 447 . 72 VAL C C 172.516 0.05 . 448 . 72 VAL CA C 59.831 0.05 . 449 . 72 VAL CB C 32.095 0.05 . 450 . 72 VAL CG1 C 18.227 0.05 . 451 . 72 VAL CG2 C 18.227 0.05 . 452 . 73 ARG H H 8.750 0.05 . 453 . 73 ARG HA H 4.750 0.05 . 454 . 73 ARG HB2 H 1.767 0.05 . 455 . 73 ARG HB3 H 1.540 0.05 . 456 . 73 ARG HG2 H 1.453 0.05 . 457 . 73 ARG HG3 H 1.453 0.05 . 458 . 73 ARG HD2 H 3.055 0.05 . 459 . 73 ARG HD3 H 3.055 0.05 . 460 . 73 ARG N N 126.907 0.05 . 461 . 73 ARG C C 172.628 0.05 . 462 . 73 ARG CA C 51.788 0.05 . 463 . 73 ARG CB C 29.876 0.05 . 464 . 73 ARG CG C 25.439 0.05 . 465 . 73 ARG CD C 40.971 0.05 . 466 . 74 ASP H H 8.441 0.001 . 467 . 74 ASP HA H 4.837 0.05 . 468 . 74 ASP HB2 H 2.897 0.05 . 469 . 74 ASP HB3 H 2.597 0.05 . 470 . 74 ASP N N 125.935 0.05 . 471 . 74 ASP CA C 49.014 0.05 . 472 . 74 ASP CB C 40.416 0.05 . 473 . 75 PRO HA H 4.300 0.05 . 474 . 75 PRO HB2 H 2.240 0.05 . 475 . 75 PRO HB3 H 1.815 0.05 . 476 . 75 PRO HG2 H 1.943 0.05 . 477 . 75 PRO HG3 H 1.901 0.05 . 478 . 75 PRO HD2 H 3.880 0.001 . 479 . 75 PRO HD3 H 3.845 0.05 . 480 . 75 PRO C C 174.466 0.05 . 481 . 75 PRO CA C 61.66 0.05 . 482 . 75 PRO CB C 29.87 0.05 . 483 . 75 PRO CG C 24.60 0.05 . 484 . 75 PRO CD C 48.60 0.05 . 485 . 76 ASN H H 8.249 0.05 . 486 . 76 ASN HA H 4.740 0.001 . 487 . 76 ASN HB2 H 2.867 0.05 . 488 . 76 ASN HB3 H 2.623 0.05 . 489 . 76 ASN HD21 H 7.731 0.05 . 490 . 76 ASN HD22 H 6.886 0.05 . 491 . 76 ASN N N 113.628 0.05 . 492 . 76 ASN ND2 N 114.28 0.05 . 493 . 76 ASN C C 171.596 0.05 . 494 . 76 ASN CA C 50.956 0.05 . 495 . 76 ASN CB C 37.642 0.05 . 496 . 77 SER H H 7.774 0.001 . 497 . 77 SER HA H 4.551 0.05 . 498 . 77 SER HB2 H 3.940 0.05 . 499 . 77 SER HB3 H 3.692 0.05 . 500 . 77 SER N N 114.599 0.05 . 501 . 77 SER C C 170.182 0.05 . 502 . 77 SER CA C 55.671 0.05 . 503 . 77 SER CB C 62.882 0.05 . 504 . 78 LEU H H 8.162 0.001 . 505 . 78 LEU HA H 4.261 0.05 . 506 . 78 LEU HB2 H 1.410 0.05 . 507 . 78 LEU HB3 H 1.300 0.05 . 508 . 78 LEU HG H 1.464 0.001 . 509 . 78 LEU HD1 H 0.757 0.001 . 510 . 78 LEU HD2 H 0.687 0.05 . 511 . 78 LEU N N 117.838 0.05 . 512 . 78 LEU C C 173.515 0.05 . 513 . 78 LEU CA C 52.342 0.05 . 514 . 78 LEU CB C 39.029 0.05 . 515 . 78 LEU CG C 24.329 0.05 . 516 . 78 LEU CD1 C 23.220 0.05 . 517 . 78 LEU CD2 C 20.446 0.05 . 518 . 79 HIS H H 8.157 0.05 . 519 . 79 HIS HA H 4.744 0.05 . 520 . 79 HIS HB2 H 3.036 0.001 . 521 . 79 HIS HB3 H 2.978 0.001 . 522 . 79 HIS HD2 H 7.077 0.05 . 523 . 79 HIS HE1 H 8.08 0.05 . 524 . 79 HIS N N 117.190 0.05 . 525 . 79 HIS ND1 N 178.30 0.05 . 526 . 79 HIS NE2 N 187.55 0.05 . 527 . 79 HIS C C 172.223 0.05 . 528 . 79 HIS CA C 55.116 0.05 . 529 . 79 HIS CB C 26.826 0.05 . 530 . 80 VAL H H 8.776 0.05 . 531 . 80 VAL HA H 5.033 0.001 . 532 . 80 VAL HB H 2.064 0.05 . 533 . 80 VAL HG1 H 0.963 0.05 . 534 . 80 VAL HG2 H 0.939 0.05 . 535 . 80 VAL N N 123.668 0.05 . 536 . 80 VAL C C 169.633 0.05 . 537 . 80 VAL CA C 56.780 0.05 . 538 . 80 VAL CB C 33.759 0.05 . 539 . 80 VAL CG1 C 19.060 0.05 . 540 . 80 VAL CG2 C 19.060 0.05 . 541 . 81 GLN H H 8.161 0.05 . 542 . 81 GLN HA H 5.424 0.05 . 543 . 81 GLN HB2 H 1.881 0.001 . 544 . 81 GLN HB3 H 1.775 0.05 . 545 . 81 GLN HG2 H 2.186 0.05 . 546 . 81 GLN HG3 H 1.938 0.001 . 547 . 81 GLN HE21 H 7.849 0.05 . 548 . 81 GLN HE22 H 6.937 0.05 . 549 . 81 GLN N N 121.401 0.05 . 550 . 81 GLN NE2 N 113.62 0.05 . 551 . 81 GLN C C 170.610 0.05 . 552 . 81 GLN CA C 50.956 0.05 . 553 . 81 GLN CB C 31.818 0.05 . 554 . 81 GLN CG C 32.373 0.05 . 555 . 82 PHE H H 8.597 0.05 . 556 . 82 PHE HA H 4.980 0.05 . 557 . 82 PHE HB2 H 3.239 0.05 . 558 . 82 PHE HB3 H 2.987 0.05 . 559 . 82 PHE HD1 H 6.835 0.05 . 560 . 82 PHE HE1 H 6.672 0.05 . 561 . 82 PHE HZ H 6.490 0.001 . 562 . 82 PHE N N 118.486 0.05 . 563 . 82 PHE C C 168.324 0.05 . 564 . 82 PHE CA C 53.452 0.05 . 565 . 82 PHE CB C 37.088 0.05 . 566 . 83 ALA H H 8.740 0.001 . 567 . 83 ALA HA H 5.473 0.05 . 568 . 83 ALA HB H 1.245 0.001 . 569 . 83 ALA N N 118.810 0.05 . 570 . 83 ALA C C 173.941 0.05 . 571 . 83 ALA CA C 47.627 0.05 . 572 . 83 ALA CB C 19.060 0.05 . 573 . 84 VAL H H 8.821 0.05 . 574 . 84 VAL HA H 4.982 0.05 . 575 . 84 VAL HB H 1.510 0.05 . 576 . 84 VAL HG1 H 0.722 0.05 . 577 . 84 VAL HG2 H 0.533 0.05 . 578 . 84 VAL N N 118.162 0.05 . 579 . 84 VAL C C 171.765 0.05 . 580 . 84 VAL CA C 57.335 0.05 . 581 . 84 VAL CB C 32.373 0.05 . 582 . 84 VAL CG1 C 20.169 0.05 . 583 . 84 VAL CG2 C 18.505 0.05 . 584 . 85 HIS H H 9.294 0.05 . 585 . 85 HIS HA H 6.194 0.001 . 586 . 85 HIS HB2 H 3.498 0.001 . 587 . 85 HIS HB3 H 3.010 0.002 . 588 . 85 HIS HD2 H 8.095 0.05 . 589 . 85 HIS HE1 H 8.740 0.05 . 590 . 85 HIS N N 120.753 0.05 . 591 . 85 HIS ND1 N 181.00 0.05 . 592 . 85 HIS NE2 N 219.15 0.05 . 593 . 85 HIS C C 171.168 0.05 . 594 . 85 HIS CA C 51.788 0.05 . 595 . 85 HIS CB C 31.263 0.05 . 596 . 86 ASP H H 8.090 0.05 . 597 . 86 ASP HA H 5.117 0.05 . 598 . 86 ASP HB2 H 3.481 0.05 . 599 . 86 ASP HB3 H 2.685 0.001 . 600 . 86 ASP N N 116.866 0.05 . 601 . 86 ASP C C 175.343 0.05 . 602 . 86 ASP CA C 49.569 0.05 . 603 . 86 ASP CB C 41.803 0.05 . 604 . 87 SER H H 9.14 0.05 . 605 . 87 SER N N 114.599 0.05 . 606 . 87 SER C C 172.326 0.05 . 607 . 87 SER CA C 58.35 0.05 . 608 . 88 LEU H H 8.013 0.05 . 609 . 88 LEU HA H 4.394 0.05 . 610 . 88 LEU HB2 H 1.778 0.05 . 611 . 88 LEU HB3 H 1.577 0.007 . 612 . 88 LEU HG H 1.524 0.001 . 613 . 88 LEU HD1 H 0.827 0.05 . 614 . 88 LEU HD2 H 0.760 0.05 . 615 . 88 LEU N N 121.077 0.05 . 616 . 88 LEU C C 175.037 0.05 . 617 . 88 LEU CA C 52.620 0.05 . 618 . 88 LEU CB C 39.307 0.05 . 619 . 88 LEU CG C 24.607 0.05 . 620 . 88 LEU CD1 C 22.943 0.05 . 621 . 88 LEU CD2 C 20.446 0.05 . 622 . 89 GLY H H 7.808 0.05 . 623 . 89 GLY HA2 H 4.269 0.05 . 624 . 89 GLY HA3 H 3.581 0.05 . 625 . 89 GLY N N 106.178 0.05 . 626 . 89 GLY C C 172.655 0.05 . 627 . 89 GLY CA C 42.358 0.05 . 628 . 90 GLY H H 8.471 0.05 . 629 . 90 GLY HA2 H 3.998 0.05 . 630 . 90 GLY HA3 H 3.296 0.002 . 631 . 90 GLY N N 111.036 0.05 . 632 . 90 GLY C C 169.906 0.05 . 633 . 90 GLY CA C 42.912 0.05 . 634 . 91 GLU H H 7.978 0.05 . 635 . 91 GLU HA H 5.393 0.05 . 636 . 91 GLU HB2 H 1.803 0.001 . 637 . 91 GLU HB3 H 1.803 0.001 . 638 . 91 GLU HG2 H 1.957 0.05 . 639 . 91 GLU HG3 H 1.866 0.003 . 640 . 91 GLU N N 121.077 0.05 . 641 . 91 GLU C C 172.507 0.05 . 642 . 91 GLU CA C 53.452 0.05 . 643 . 91 GLU CB C 31.818 0.05 . 644 . 91 GLU CG C 36.810 0.05 . 645 . 92 ILE H H 8.609 0.05 . 646 . 92 ILE HA H 4.607 0.05 . 647 . 92 ILE HB H 1.698 0.05 . 648 . 92 ILE HG2 H 0.671 0.05 . 649 . 92 ILE HG12 H 0.923 0.05 . 650 . 92 ILE HG13 H 0.923 0.05 . 651 . 92 ILE HD1 H 0.593 0.001 . 652 . 92 ILE N N 120.753 0.05 . 653 . 92 ILE C C 169.994 0.05 . 654 . 92 ILE CA C 56.225 0.05 . 655 . 92 ILE CB C 40.416 0.05 . 656 . 92 ILE CG2 C 14.899 0.05 . 657 . 92 ILE CG1 C 24.884 0.05 . 658 . 92 ILE CD1 C 13.235 0.05 . 659 . 93 LEU H H 8.512 0.05 . 660 . 93 LEU HA H 4.745 0.05 . 661 . 93 LEU HB2 H 1.579 0.05 . 662 . 93 LEU HB3 H 0.946 0.05 . 663 . 93 LEU HG H 1.531 0.05 . 664 . 93 LEU HD1 H 0.692 0.05 . 665 . 93 LEU HD2 H 0.689 0.05 . 666 . 93 LEU N N 123.344 0.05 . 667 . 93 LEU C C 172.173 0.05 . 668 . 93 LEU CA C 51.510 0.05 . 669 . 93 LEU CB C 41.248 0.05 . 670 . 93 LEU CG C 24.607 0.05 . 671 . 93 LEU CD1 C 22.388 0.05 . 672 . 93 LEU CD2 C 20.724 0.05 . 673 . 94 VAL H H 8.822 0.05 . 674 . 94 VAL HA H 4.709 0.05 . 675 . 94 VAL HB H 0.335 0.001 . 676 . 94 VAL HG1 H 0.435 0.001 . 677 . 94 VAL HG2 H 0.383 0.05 . 678 . 94 VAL N N 121.725 0.05 . 679 . 94 VAL C C 171.986 0.05 . 680 . 94 VAL CA C 57.335 0.05 . 681 . 94 VAL CB C 31.541 0.05 . 682 . 94 VAL CG1 C 19.337 0.05 . 683 . 94 VAL CG2 C 20.446 0.05 . 684 . 95 THR H H 8.770 0.05 . 685 . 95 THR HA H 5.149 0.05 . 686 . 95 THR HB H 4.049 0.05 . 687 . 95 THR HG2 H 1.023 0.05 . 688 . 95 THR N N 113.304 0.05 . 689 . 95 THR C C 170.096 0.05 . 690 . 95 THR CA C 56.503 0.05 . 691 . 95 THR CB C 68.429 0.05 . 692 . 95 THR CG2 C 18.782 0.05 . 693 . 96 TYR H H 8.457 0.05 . 694 . 96 TYR HA H 4.832 0.05 . 695 . 96 TYR HB2 H 2.766 0.05 . 696 . 96 TYR HB3 H 2.530 0.05 . 697 . 96 TYR HD1 H 6.966 0.05 . 698 . 96 TYR HE1 H 6.365 0.05 . 699 . 96 TYR HH H 6.255 0.05 . 700 . 96 TYR N N 120.429 0.05 . 701 . 96 TYR C C 170.865 0.05 . 702 . 96 TYR CA C 54.839 0.05 . 703 . 96 TYR CB C 40.139 0.05 . 704 . 97 ASP H H 7.605 0.05 . 705 . 97 ASP HA H 4.774 0.05 . 706 . 97 ASP HB2 H 2.538 0.003 . 707 . 97 ASP HB3 H 2.148 0.05 . 708 . 97 ASP N N 124.316 0.05 . 709 . 97 ASP C C 170.453 0.05 . 710 . 97 ASP CA C 51.233 0.05 . 711 . 97 ASP CB C 39.307 0.05 . 712 . 98 ASP H H 6.031 0.05 . 713 . 98 ASP HA H 4.540 0.001 . 714 . 98 ASP HB2 H 2.405 0.005 . 715 . 98 ASP HB3 H 1.880 0.005 . 716 . 98 ASP N N 117.514 0.05 . 717 . 98 ASP C C 171.187 0.05 . 718 . 98 ASP CA C 49.014 0.05 . 719 . 98 ASP CB C 41.248 0.05 . 720 . 99 LEU H H 9.028 0.05 . 721 . 99 LEU HA H 4.092 0.05 . 722 . 99 LEU HB2 H 1.480 0.05 . 723 . 99 LEU HB3 H 1.402 0.001 . 724 . 99 LEU HG H 1.595 0.05 . 725 . 99 LEU HD1 H 0.803 0.001 . 726 . 99 LEU HD2 H 0.759 0.05 . 727 . 99 LEU N N 119.781 0.05 . 728 . 99 LEU C C 175.455 0.05 . 729 . 99 LEU CA C 52.897 0.05 . 730 . 99 LEU CB C 39.861 0.05 . 731 . 99 LEU CG C 24.329 0.05 . 732 . 99 LEU CD1 C 22.665 0.05 . 733 . 99 LEU CD2 C 21.556 0.05 . 734 . 100 LEU H H 8.569 0.05 . 735 . 100 LEU HA H 4.218 0.001 . 736 . 100 LEU HB2 H 1.453 0.05 . 737 . 100 LEU HB3 H 0.787 0.001 . 738 . 100 LEU HG H 1.552 0.05 . 739 . 100 LEU HD1 H 0.113 0.001 . 740 . 100 LEU HD2 H 0.089 0.002 . 741 . 100 LEU N N 126.259 0.05 . 742 . 100 LEU CA C 50.678 0.05 . 743 . 100 LEU CB C 38.475 0.05 . 744 . 100 LEU CG C 24.052 0.05 . 745 . 100 LEU CD1 C 20.446 0.05 . 746 . 100 LEU CD2 C 22.388 0.05 . 747 . 101 PRO HA H 4.446 0.05 . 748 . 101 PRO HB2 H 2.459 0.05 . 749 . 101 PRO HB3 H 1.926 0.05 . 750 . 101 PRO HG2 H 2.133 0.05 . 751 . 101 PRO HG3 H 1.817 0.001 . 752 . 101 PRO HD2 H 3.643 0.05 . 753 . 101 PRO HD3 H 3.188 0.001 . 754 . 101 PRO C C 174.518 0.05 . 755 . 101 PRO CD C 47.350 0.05 . 756 . 101 PRO CA C 60.108 0.05 . 757 . 101 PRO CB C 29.599 0.05 . 758 . 101 PRO CG C 25.439 0.05 . 759 . 102 ASP H H 8.639 0.05 . 760 . 102 ASP HA H 4.233 0.05 . 761 . 102 ASP HB2 H 2.719 0.05 . 762 . 102 ASP HB3 H 2.544 0.05 . 763 . 102 ASP N N 122.049 0.05 . 764 . 102 ASP C C 174.523 0.05 . 765 . 102 ASP CA C 54.561 0.05 . 766 . 102 ASP CB C 38.197 0.05 . 767 . 103 LEU H H 7.820 0.001 . 768 . 103 LEU HA H 4.106 0.05 . 769 . 103 LEU HB2 H 1.627 0.05 . 770 . 103 LEU HB3 H 1.471 0.05 . 771 . 103 LEU HG H 1.410 0.05 . 772 . 103 LEU HD1 H 0.700 0.05 . 773 . 103 LEU HD2 H 0.591 0.05 . 774 . 103 LEU N N 114.599 0.05 . 775 . 103 LEU C C 173.592 0.05 . 776 . 103 LEU CA C 52.620 0.05 . 777 . 103 LEU CB C 38.475 0.05 . 778 . 103 LEU CG C 24.607 0.05 . 779 . 103 LEU CD1 C 22.388 0.05 . 780 . 103 LEU CD2 C 20.446 0.05 . 781 . 104 PHE H H 7.509 0.001 . 782 . 104 PHE HA H 3.778 0.05 . 783 . 104 PHE HB2 H 2.940 0.05 . 784 . 104 PHE HB3 H 2.513 0.05 . 785 . 104 PHE HD1 H 6.606 0.05 . 786 . 104 PHE HE1 H 6.419 0.001 . 787 . 104 PHE HZ H 5.661 0.05 . 788 . 104 PHE N N 119.134 0.05 . 789 . 104 PHE C C 172.308 0.05 . 790 . 104 PHE CA C 57.335 0.05 . 791 . 104 PHE CB C 37.642 0.05 . 792 . 105 ARG H H 7.491 0.05 . 793 . 105 ARG HA H 4.314 0.05 . 794 . 105 ARG HB2 H 1.540 0.05 . 795 . 105 ARG HB3 H 1.361 0.001 . 796 . 105 ARG HG2 H 1.509 0.05 . 797 . 105 ARG HG3 H 1.369 0.002 . 798 . 105 ARG HD2 H 3.133 0.05 . 799 . 105 ARG HD3 H 3.001 0.05 . 800 . 105 ARG N N 126.583 0.05 . 801 . 105 ARG C C 171.495 0.05 . 802 . 105 ARG CA C 51.788 0.05 . 803 . 105 ARG CB C 31.263 0.05 . 804 . 105 ARG CG C 24.052 0.05 . 805 . 105 ARG CD C 40.693 0.05 . 806 . 106 GLU H H 8.639 0.05 . 807 . 106 GLU HA H 3.497 0.05 . 808 . 106 GLU HB2 H 1.903 0.05 . 809 . 106 GLU HB3 H 1.824 0.05 . 810 . 106 GLU HG2 H 2.362 0.05 . 811 . 106 GLU HG3 H 2.119 0.05 . 812 . 106 GLU N N 120.753 0.05 . 813 . 106 GLU C C 174.260 0.05 . 814 . 106 GLU CA C 55.116 0.05 . 815 . 106 GLU CB C 28.212 0.05 . 816 . 106 GLU CG C 34.592 0.05 . 817 . 107 GLY H H 8.878 0.05 . 818 . 107 GLY HA2 H 4.079 0.05 . 819 . 107 GLY HA3 H 3.673 0.05 . 820 . 107 GLY N N 111.036 0.05 . 821 . 107 GLY C C 170.194 0.05 . 822 . 107 GLY CA C 42.912 0.05 . 823 . 108 GLN H H 7.190 0.05 . 824 . 108 GLN HA H 4.549 0.05 . 825 . 108 GLN HB2 H 1.987 0.05 . 826 . 108 GLN HB3 H 1.705 0.05 . 827 . 108 GLN HG2 H 2.108 0.05 . 828 . 108 GLN HG3 H 2.108 0.05 . 829 . 108 GLN HE21 H 7.285 0.05 . 830 . 108 GLN HE22 H 6.645 0.05 . 831 . 108 GLN N N 116.219 0.05 . 832 . 108 GLN NE2 N 110.71 0.05 . 833 . 108 GLN C C 172.996 0.05 . 834 . 108 GLN CA C 51.233 0.05 . 835 . 108 GLN CB C 29.599 0.05 . 836 . 108 GLN CG C 31.541 0.05 . 837 . 109 GLY H H 8.694 0.05 . 838 . 109 GLY HA2 H 4.593 0.05 . 839 . 109 GLY HA3 H 3.632 0.05 . 840 . 109 GLY N N 108.445 0.05 . 841 . 109 GLY C C 171.343 0.05 . 842 . 109 GLY CA C 43.744 0.05 . 843 . 110 ILE H H 8.946 0.05 . 844 . 110 ILE HA H 4.985 0.05 . 845 . 110 ILE HB H 1.664 0.003 . 846 . 110 ILE HG2 H 0.590 0.05 . 847 . 110 ILE HG12 H 1.312 0.003 . 848 . 110 ILE HG13 H 0.813 0.001 . 849 . 110 ILE HD1 H 0.730 0.001 . 850 . 110 ILE N N 118.486 0.05 . 851 . 110 ILE C C 173.402 0.05 . 852 . 110 ILE CA C 55.948 0.05 . 853 . 110 ILE CB C 42.080 0.05 . 854 . 110 ILE CG2 C 18.227 0.05 . 855 . 110 ILE CG1 C 24.329 0.05 . 856 . 110 ILE CD1 C 13.790 0.05 . 857 . 111 VAL H H 8.545 0.05 . 858 . 111 VAL HA H 4.898 0.05 . 859 . 111 VAL HB H 1.749 0.05 . 860 . 111 VAL HG1 H 0.862 0.05 . 861 . 111 VAL HG2 H 0.784 0.001 . 862 . 111 VAL N N 119.134 0.05 . 863 . 111 VAL C C 171.667 0.05 . 864 . 111 VAL CA C 58.999 0.05 . 865 . 111 VAL CB C 32.373 0.05 . 866 . 111 VAL CG1 C 19.614 0.05 . 867 . 111 VAL CG2 C 19.060 0.05 . 868 . 112 ALA H H 9.276 0.05 . 869 . 112 ALA HA H 5.302 0.05 . 870 . 112 ALA HB H 1.069 0.05 . 871 . 112 ALA N N 128.203 0.05 . 872 . 112 ALA C C 172.120 0.05 . 873 . 112 ALA CA C 47.073 0.05 . 874 . 112 ALA CB C 19.614 0.05 . 875 . 113 GLN H H 8.499 0.05 . 876 . 113 GLN HA H 5.432 0.05 . 877 . 113 GLN HB2 H 1.997 0.05 . 878 . 113 GLN HB3 H 1.903 0.001 . 879 . 113 GLN HG2 H 2.181 0.05 . 880 . 113 GLN HG3 H 2.104 0.05 . 881 . 113 GLN HE21 H 7.328 0.05 . 882 . 113 GLN HE22 H 6.798 0.05 . 883 . 113 GLN N N 119.781 0.05 . 884 . 113 GLN NE2 N 111.36 0.05 . 885 . 113 GLN C C 172.660 0.05 . 886 . 113 GLN CA C 51.233 0.05 . 887 . 113 GLN CB C 30.154 0.05 . 888 . 113 GLN CG C 32.095 0.05 . 889 . 114 GLY H H 8.792 0.05 . 890 . 114 GLY HA2 H 4.440 0.001 . 891 . 114 GLY HA3 H 4.312 0.05 . 892 . 114 GLY N N 110.712 0.05 . 893 . 114 GLY C C 167.424 0.05 . 894 . 114 GLY CA C 44.022 0.05 . 895 . 115 VAL H H 7.676 0.05 . 896 . 115 VAL HA H 4.549 0.05 . 897 . 115 VAL HB H 1.761 0.05 . 898 . 115 VAL HG1 H 0.776 0.001 . 899 . 115 VAL HG2 H 0.659 0.05 . 900 . 115 VAL N N 118.486 0.05 . 901 . 115 VAL C C 173.601 0.05 . 902 . 115 VAL CA C 57.890 0.05 . 903 . 115 VAL CB C 32.095 0.05 . 904 . 115 VAL CG1 C 19.060 0.05 . 905 . 115 VAL CG2 C 18.505 0.05 . 906 . 116 LEU H H 8.357 0.05 . 907 . 116 LEU HA H 4.278 0.05 . 908 . 116 LEU HB2 H 1.755 0.05 . 909 . 116 LEU HB3 H 0.980 0.05 . 910 . 116 LEU HG H 1.429 0.001 . 911 . 116 LEU HD1 H 0.485 0.002 . 912 . 116 LEU HD2 H 0.410 0.05 . 913 . 116 LEU N N 129.822 0.05 . 914 . 116 LEU C C 173.450 0.05 . 915 . 116 LEU CA C 52.342 0.05 . 916 . 116 LEU CB C 39.861 0.05 . 917 . 116 LEU CG C 24.052 0.05 . 918 . 116 LEU CD1 C 20.724 0.05 . 919 . 116 LEU CD2 C 22.943 0.05 . 920 . 117 GLY H H 8.833 0.05 . 921 . 117 GLY HA2 H 4.433 0.05 . 922 . 117 GLY HA3 H 3.924 0.001 . 923 . 117 GLY N N 114.275 0.05 . 924 . 117 GLY C C 173.238 0.05 . 925 . 117 GLY CA C 42.358 0.05 . 926 . 118 GLU H H 9.012 0.05 . 927 . 118 GLU HA H 3.895 0.05 . 928 . 118 GLU HB2 H 1.945 0.05 . 929 . 118 GLU HB3 H 1.865 0.001 . 930 . 118 GLU HG2 H 2.181 0.05 . 931 . 118 GLU HG3 H 2.181 0.05 . 932 . 118 GLU N N 121.077 0.05 . 933 . 118 GLU C C 173.582 0.05 . 934 . 118 GLU CA C 56.225 0.05 . 935 . 118 GLU CB C 26.826 0.05 . 936 . 118 GLU CG C 34.037 0.05 . 937 . 119 ASP H H 8.025 0.05 . 938 . 119 ASP HA H 4.327 0.05 . 939 . 119 ASP HB2 H 2.872 0.05 . 940 . 119 ASP HB3 H 2.528 0.05 . 941 . 119 ASP N N 115.247 0.05 . 942 . 119 ASP C C 174.221 0.05 . 943 . 119 ASP CA C 50.401 0.05 . 944 . 119 ASP CB C 37.642 0.05 . 945 . 120 GLY H H 7.746 0.05 . 946 . 120 GLY HA2 H 4.022 0.001 . 947 . 120 GLY HA3 H 3.398 0.05 . 948 . 120 GLY N N 106.826 0.05 . 949 . 120 GLY C C 171.079 0.05 . 950 . 120 GLY CA C 43.190 0.05 . 951 . 121 LYS H H 7.474 0.05 . 952 . 121 LYS HA H 4.576 0.05 . 953 . 121 LYS HB2 H 1.635 0.05 . 954 . 121 LYS HB3 H 1.245 0.05 . 955 . 121 LYS HG2 H 1.064 0.05 . 956 . 121 LYS HG3 H 1.064 0.05 . 957 . 121 LYS HD2 H 1.377 0.05 . 958 . 121 LYS HD3 H 1.289 0.05 . 959 . 121 LYS HE2 H 2.738 0.05 . 960 . 121 LYS HE3 H 2.683 0.05 . 961 . 121 LYS N N 118.162 0.05 . 962 . 121 LYS C C 173.326 0.05 . 963 . 121 LYS CA C 52.620 0.05 . 964 . 121 LYS CB C 30.986 0.05 . 965 . 121 LYS CG C 22.943 0.05 . 966 . 121 LYS CD C 27.380 0.05 . 967 . 121 LYS CE C 39.307 0.05 . 968 . 122 LEU H H 8.931 0.05 . 969 . 122 LEU HA H 4.417 0.05 . 970 . 122 LEU HB2 H 1.891 0.05 . 971 . 122 LEU HB3 H 0.856 0.05 . 972 . 122 LEU HG H 0.927 0.05 . 973 . 122 LEU HD1 H 0.479 0.05 . 974 . 122 LEU HD2 H 0.424 0.003 . 975 . 122 LEU N N 125.288 0.05 . 976 . 122 LEU C C 170.908 0.05 . 977 . 122 LEU CA C 51.510 0.05 . 978 . 122 LEU CB C 41.803 0.05 . 979 . 122 LEU CG C 25.161 0.05 . 980 . 122 LEU CD1 C 23.497 0.05 . 981 . 122 LEU CD2 C 21.833 0.05 . 982 . 123 ALA H H 8.316 0.05 . 983 . 123 ALA HA H 4.804 0.05 . 984 . 123 ALA HB H 1.231 0.05 . 985 . 123 ALA N N 131.118 0.05 . 986 . 123 ALA C C 174.153 0.05 . 987 . 123 ALA CA C 48.182 0.05 . 988 . 123 ALA CB C 14.899 0.05 . 989 . 124 ALA H H 8.968 0.05 . 990 . 124 ALA HA H 4.663 0.001 . 991 . 124 ALA HB H 1.232 0.05 . 992 . 124 ALA N N 128.203 0.05 . 993 . 124 ALA C C 174.872 0.05 . 994 . 124 ALA CA C 50.401 0.05 . 995 . 124 ALA CB C 17.118 0.05 . 996 . 125 THR H H 9.649 0.05 . 997 . 125 THR HA H 4.496 0.05 . 998 . 125 THR HB H 4.311 0.05 . 999 . 125 THR HG2 H 1.189 0.05 . 1000 . 125 THR HG1 H 6.461 0.001 . 1001 . 125 THR N N 111.036 0.05 . 1002 . 125 THR C C 172.262 0.05 . 1003 . 125 THR CA C 59.831 0.05 . 1004 . 125 THR CB C 67.042 0.05 . 1005 . 125 THR CG2 C 19.892 0.05 . 1006 . 126 GLU H H 7.733 0.05 . 1007 . 126 GLU HA H 4.772 0.001 . 1008 . 126 GLU HB2 H 1.986 0.05 . 1009 . 126 GLU HB3 H 1.903 0.001 . 1010 . 126 GLU HG2 H 2.177 0.05 . 1011 . 126 GLU HG3 H 2.009 0.05 . 1012 . 126 GLU N N 120.753 0.05 . 1013 . 126 GLU C C 171.546 0.05 . 1014 . 126 GLU CA C 54.284 0.05 . 1015 . 126 GLU CB C 31.818 0.05 . 1016 . 126 GLU CG C 34.592 0.05 . 1017 . 127 VAL H H 8.046 0.002 . 1018 . 127 VAL HA H 4.347 0.05 . 1019 . 127 VAL HB H 1.245 0.001 . 1020 . 127 VAL HG1 H 0.549 0.05 . 1021 . 127 VAL HG2 H 0.060 0.001 . 1022 . 127 VAL N N 122.373 0.05 . 1023 . 127 VAL C C 170.308 0.05 . 1024 . 127 VAL CA C 59.276 0.05 . 1025 . 127 VAL CB C 32.650 0.05 . 1026 . 127 VAL CG1 C 19.060 0.05 . 1027 . 127 VAL CG2 C 17.673 0.05 . 1028 . 128 LEU H H 8.898 0.05 . 1029 . 128 LEU HA H 4.636 0.05 . 1030 . 128 LEU HB2 H 1.542 0.05 . 1031 . 128 LEU HB3 H 1.453 0.05 . 1032 . 128 LEU HG H 1.399 0.05 . 1033 . 128 LEU HD1 H 0.797 0.001 . 1034 . 128 LEU HD2 H 0.729 0.05 . 1035 . 128 LEU N N 125.288 0.05 . 1036 . 128 LEU C C 172.998 0.05 . 1037 . 128 LEU CA C 50.956 0.05 . 1038 . 128 LEU CB C 42.080 0.05 . 1039 . 128 LEU CG C 24.607 0.05 . 1040 . 128 LEU CD1 C 21.278 0.05 . 1041 . 128 LEU CD2 C 22.665 0.05 . 1042 . 129 ALA H H 8.570 0.05 . 1043 . 129 ALA HA H 4.369 0.05 . 1044 . 129 ALA HB H 1.053 0.001 . 1045 . 129 ALA N N 123.992 0.05 . 1046 . 129 ALA C C 174.443 0.05 . 1047 . 129 ALA CA C 49.291 0.05 . 1048 . 129 ALA CB C 16.841 0.05 . 1049 . 130 LYS H H 7.818 0.05 . 1050 . 130 LYS HA H 4.273 0.05 . 1051 . 130 LYS HB2 H 1.621 0.05 . 1052 . 130 LYS HB3 H 1.317 0.05 . 1053 . 130 LYS HG2 H 1.191 0.001 . 1054 . 130 LYS HG3 H 1.191 0.001 . 1055 . 130 LYS HD2 H 1.469 0.05 . 1056 . 130 LYS HD3 H 1.469 0.05 . 1057 . 130 LYS HE2 H 2.758 0.05 . 1058 . 130 LYS HE3 H 2.758 0.05 . 1059 . 130 LYS N N 122.696 0.05 . 1060 . 130 LYS C C 172.311 0.05 . 1061 . 130 LYS CA C 52.620 0.05 . 1062 . 130 LYS CB C 31.263 0.05 . 1063 . 130 LYS CG C 21.833 0.05 . 1064 . 130 LYS CD C 26.548 0.05 . 1065 . 130 LYS CE C 39.861 0.05 . 1066 . 131 HIS H H 8.393 0.05 . 1067 . 131 HIS HA H 4.579 0.05 . 1068 . 131 HIS HB2 H 3.056 0.05 . 1069 . 131 HIS HB3 H 2.911 0.05 . 1070 . 131 HIS HD2 H 8.159 0.05 . 1071 . 131 HIS HE1 H 6.92 0.05 . 1072 . 131 HIS N N 121.725 0.05 . 1073 . 131 HIS ND1 N 175.97 0.05 . 1074 . 131 HIS NE2 N 221.75 0.05 . 1075 . 131 HIS C C 173.277 0.05 . 1076 . 131 HIS CA C 53.452 0.05 . 1077 . 131 HIS CB C 28.490 0.05 . 1078 . 132 ASP H H 8.253 0.05 . 1079 . 132 ASP HA H 4.411 0.05 . 1080 . 132 ASP HB2 H 2.471 0.004 . 1081 . 132 ASP HB3 H 2.471 0.004 . 1082 . 132 ASP N N 120.105 0.05 . 1083 . 132 ASP C C 172.184 0.05 . 1084 . 132 ASP CA C 51.510 0.05 . 1085 . 132 ASP CB C 38.475 0.05 . 1086 . 133 GLU H H 7.941 0.05 . 1087 . 133 GLU HA H 4.075 0.05 . 1088 . 133 GLU HB2 H 1.691 0.05 . 1089 . 133 GLU HB3 H 1.594 0.05 . 1090 . 133 GLU HG2 H 1.982 0.05 . 1091 . 133 GLU HG3 H 1.982 0.05 . 1092 . 133 GLU N N 118.810 0.05 . 1093 . 133 GLU C C 171.469 0.05 . 1094 . 133 GLU CA C 53.729 0.05 . 1095 . 133 GLU CB C 28.490 0.05 . 1096 . 133 GLU CG C 33.482 0.05 . 1097 . 134 ASN H H 8.162 0.05 . 1098 . 134 ASN HA H 4.580 0.05 . 1099 . 134 ASN HB2 H 2.583 0.05 . 1100 . 134 ASN HB3 H 2.464 0.05 . 1101 . 134 ASN HD21 H 7.436 0.05 . 1102 . 134 ASN HD22 H 6.728 0.05 . 1103 . 134 ASN N N 118.810 0.05 . 1104 . 134 ASN ND2 N 112.66 0.05 . 1105 . 134 ASN C C 171.928 0.05 . 1106 . 134 ASN CA C 50.401 0.05 . 1107 . 134 ASN CB C 37.088 0.05 . 1108 . 135 TYR H H 7.497 0.05 . 1109 . 135 TYR HA H 4.245 0.05 . 1110 . 135 TYR HB2 H 2.987 0.05 . 1111 . 135 TYR HB3 H 2.611 0.05 . 1112 . 135 TYR HD1 H 6.913 0.05 . 1113 . 135 TYR HE1 H 7.021 0.05 . 1114 . 135 TYR N N 124.964 0.05 . 1115 . 135 TYR CA C 57.057 0.05 . 1116 . 135 TYR CB C 37.365 0.05 . stop_ save_