data_4851 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; CDC4P from Schizosaccharomyces pombe ; _BMRB_accession_number 4851 _BMRB_flat_file_name bmr4851.str _Entry_type original _Submission_date 2000-10-06 _Accession_date 2000-10-06 _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 Slupsky Carolyn M. . 2 Desautels Michel . . 3 Huebert Terry . . 4 Zhao Ruohong . . 5 Hemmingsen Sean M. . 6 Mcintosh Lawrence P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 796 "13C chemical shifts" 457 "15N chemical shifts" 146 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-10-23 original author . stop_ _Original_release_date 2000-10-23 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure of Cdc4p, a contractile ring protein essential for cytokinesis in Schizosaccharomyces pombe ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Slupsky Carolyn M. . 2 Desautels Michel . . 3 Huebert Terry . . 4 Zhao Ruohong . . 5 Hemmingsen Sean M. . 6 Mcintosh Lawrence P. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 276 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5943 _Page_last 5951 _Year 2001 _Details . loop_ _Keyword 'light chain' cytokinesis 'cell cycle' EF-hand stop_ save_ ################################## # Molecular system description # ################################## save_system_CDC4p _Saveframe_category molecular_system _Mol_system_name 'CDC4P from Schizosaccharomyces pombe' _Abbreviation_common CDC4p _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CDC4p $CDC4p stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CDC4p _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'EF-hand PROTEIN (CDC4P)' _Abbreviation_common CDC4p _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 141 _Mol_residue_sequence ; MSTDDSPYKQAFSLFDRHGT GRIPKTSIGDLLRACGQNPT LAEITEIESTLPAEVDMEQF LQVLNRPNGFDMPGDPEEFV KGFQVFDKDATGMIGVGELR YVLTSLGEKLSNEEMDELLK GVPVKDGMVNYHDFVQMILA N ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 THR 4 ASP 5 ASP 6 SER 7 PRO 8 TYR 9 LYS 10 GLN 11 ALA 12 PHE 13 SER 14 LEU 15 PHE 16 ASP 17 ARG 18 HIS 19 GLY 20 THR 21 GLY 22 ARG 23 ILE 24 PRO 25 LYS 26 THR 27 SER 28 ILE 29 GLY 30 ASP 31 LEU 32 LEU 33 ARG 34 ALA 35 CYS 36 GLY 37 GLN 38 ASN 39 PRO 40 THR 41 LEU 42 ALA 43 GLU 44 ILE 45 THR 46 GLU 47 ILE 48 GLU 49 SER 50 THR 51 LEU 52 PRO 53 ALA 54 GLU 55 VAL 56 ASP 57 MET 58 GLU 59 GLN 60 PHE 61 LEU 62 GLN 63 VAL 64 LEU 65 ASN 66 ARG 67 PRO 68 ASN 69 GLY 70 PHE 71 ASP 72 MET 73 PRO 74 GLY 75 ASP 76 PRO 77 GLU 78 GLU 79 PHE 80 VAL 81 LYS 82 GLY 83 PHE 84 GLN 85 VAL 86 PHE 87 ASP 88 LYS 89 ASP 90 ALA 91 THR 92 GLY 93 MET 94 ILE 95 GLY 96 VAL 97 GLY 98 GLU 99 LEU 100 ARG 101 TYR 102 VAL 103 LEU 104 THR 105 SER 106 LEU 107 GLY 108 GLU 109 LYS 110 LEU 111 SER 112 ASN 113 GLU 114 GLU 115 MET 116 ASP 117 GLU 118 LEU 119 LEU 120 LYS 121 GLY 122 VAL 123 PRO 124 VAL 125 LYS 126 ASP 127 GLY 128 MET 129 VAL 130 ASN 131 TYR 132 HIS 133 ASP 134 PHE 135 VAL 136 GLN 137 MET 138 ILE 139 LEU 140 ALA 141 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-25 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 1GGW "Cdc4p From Schizosaccharomyces Pombe" 99.29 140 100.00 100.00 3.64e-97 EMBL CAB55175 "myosin II light chain [Schizosaccharomyces pombe]" 100.00 141 100.00 100.00 4.23e-98 GB AAA67467 "EF-hand protein [Schizosaccharomyces pombe]" 100.00 141 100.00 100.00 4.23e-98 PRF 2119321A "EF hand protein" 100.00 141 99.29 99.29 5.64e-97 REF NP_594947 "myosin II light chain [Schizosaccharomyces pombe 972h-]" 100.00 141 100.00 100.00 4.23e-98 SP Q09196 "RecName: Full=Myosin regulatory light chain cdc4 [Schizosaccharomyces pombe 972h-]" 100.00 141 100.00 100.00 4.23e-98 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CDC4p 'fission yeast' 4896 Eukaryota Fungi Schizosaccharomyces pombe 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 $CDC4p 'recombinant technology' . Escherichia coli BL21(DE3) PT7-7 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $CDC4p . mM 4.5 5.5 [U-15N] KCl 100 mM . . . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $CDC4p . mM 4.5 5.5 '[U-15N; U-13C]' KCl 100 mM . . . stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR _Saveframe_category software _Name X-PLOR _Version 3.8 loop_ _Task refinement 'structure solution' stop_ _Details BRUNGER save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label . save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label . save_ save_3D_C(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label . save_ save_3D_HCCH-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label . save_ save_3D_15N-TOCSY-HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-TOCSY-HSQC' _Sample_label . save_ save_3D_15N-NOESY-HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-NOESY-HSQC' _Sample_label . save_ save_3D_HNHB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _Sample_label . save_ save_2D_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label . save_ save_2D_COSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D COSY' _Sample_label . save_ save_3D-HNHA_10 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HNHA _Sample_label . save_ save_3D_13C/15N-NOESY-HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C/15N-NOESY-HSQC' _Sample_label . save_ save_4D_13C/13C-HMQC-NOESY-HMQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 13C/13C-HMQC-NOESY-HMQC' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-TOCSY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D COSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HNHA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C/15N-NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 13C/13C-HMQC-NOESY-HMQC' _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 6.5 0.1 n/a temperature 303 1 K 'ionic strength' 100 . 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 DSS H 1 'methyl protons' ppm 0 external direct external . . . DSS C 13 'methyl protons' ppm 0 external direct external . . . DSS N 15 'methyl protons' ppm 0 external indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name CDC4p _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 2 SER HA H 4.20 0.03 1 2 . 2 SER HB2 H 3.84 0.03 2 3 . 2 SER HB3 H 4.02 0.03 2 4 . 2 SER CA C 59.79 0.50 1 5 . 2 SER CB C 63.54 0.50 1 6 . 3 THR H H 8.19 0.03 1 7 . 3 THR HA H 4.26 0.03 1 8 . 3 THR HB H 4.26 0.03 1 9 . 3 THR HG2 H 1.22 0.03 1 10 . 3 THR CA C 62.42 0.50 1 11 . 3 THR CB C 69.44 0.50 1 12 . 3 THR CG2 C 21.60 0.50 1 13 . 3 THR N N 120.87 0.25 1 14 . 4 ASP H H 8.31 0.03 1 15 . 4 ASP HA H 4.60 0.03 1 16 . 4 ASP HB2 H 2.65 0.03 1 17 . 4 ASP HB3 H 2.65 0.03 1 18 . 4 ASP CA C 54.49 0.50 1 19 . 4 ASP CB C 41.09 0.50 1 20 . 4 ASP N N 121.98 0.25 1 21 . 5 ASP H H 8.16 0.03 1 22 . 5 ASP HA H 4.68 0.03 1 23 . 5 ASP HB2 H 2.71 0.03 1 24 . 5 ASP HB3 H 2.71 0.03 1 25 . 5 ASP CA C 53.93 0.50 1 26 . 5 ASP CB C 41.09 0.50 1 27 . 5 ASP N N 120.27 0.25 1 28 . 6 SER H H 8.26 0.03 1 29 . 6 SER HA H 4.55 0.03 1 30 . 6 SER HB2 H 3.87 0.03 1 31 . 6 SER HB3 H 4.11 0.03 1 32 . 6 SER CA C 58.71 0.50 1 33 . 6 SER CB C 63.26 0.50 1 34 . 6 SER N N 116.85 0.25 1 35 . 7 PRO HA H 4.39 0.03 1 36 . 7 PRO HB2 H 2.22 0.03 2 37 . 7 PRO HB3 H 1.47 0.03 2 38 . 7 PRO HG2 H 1.87 0.03 1 39 . 7 PRO HG3 H 1.87 0.03 1 40 . 7 PRO HD2 H 3.74 0.03 2 41 . 7 PRO HD3 H 3.55 0.03 2 42 . 7 PRO CA C 64.76 0.50 1 43 . 7 PRO CB C 31.49 0.50 1 44 . 7 PRO CG C 27.30 0.50 1 45 . 7 PRO CD C 50.84 0.50 1 46 . 8 TYR H H 7.34 0.03 1 47 . 8 TYR HA H 4.86 0.03 1 48 . 8 TYR HB2 H 2.90 0.03 1 49 . 8 TYR HB3 H 3.55 0.03 1 50 . 8 TYR HD1 H 7.15 0.03 1 51 . 8 TYR HD2 H 7.15 0.03 1 52 . 8 TYR HE1 H 6.99 0.03 1 53 . 8 TYR HE2 H 6.99 0.03 1 54 . 8 TYR CA C 58.25 0.50 1 55 . 8 TYR CB C 37.43 0.50 1 56 . 8 TYR CD1 C 132.59 0.50 1 57 . 8 TYR CD2 C 132.59 0.50 1 58 . 8 TYR CE1 C 118.55 0.50 1 59 . 8 TYR CE2 C 118.55 0.50 1 60 . 8 TYR N N 117.66 0.25 1 61 . 9 LYS H H 7.73 0.03 1 62 . 9 LYS HA H 4.16 0.03 1 63 . 9 LYS HB2 H 1.97 0.03 1 64 . 9 LYS HB3 H 1.97 0.03 1 65 . 9 LYS HG2 H 1.57 0.03 1 66 . 9 LYS HG3 H 1.57 0.03 1 67 . 9 LYS HD2 H 1.75 0.03 1 68 . 9 LYS HD3 H 1.75 0.03 1 69 . 9 LYS HE2 H 2.97 0.03 1 70 . 9 LYS HE3 H 2.97 0.03 1 71 . 9 LYS CA C 59.86 0.50 1 72 . 9 LYS CB C 32.53 0.50 1 73 . 9 LYS CG C 25.85 0.50 1 74 . 9 LYS CD C 29.43 0.50 1 75 . 9 LYS CE C 42.30 0.50 1 76 . 9 LYS N N 120.27 0.25 1 77 . 10 GLN H H 8.14 0.03 1 78 . 10 GLN HA H 4.10 0.03 1 79 . 10 GLN HB2 H 2.14 0.03 1 80 . 10 GLN HB3 H 2.14 0.03 1 81 . 10 GLN HG2 H 2.44 0.03 1 82 . 10 GLN HG3 H 2.44 0.03 1 83 . 10 GLN HE21 H 6.84 0.03 2 84 . 10 GLN HE22 H 7.42 0.03 2 85 . 10 GLN CA C 58.91 0.50 1 86 . 10 GLN CB C 28.07 0.50 1 87 . 10 GLN CG C 33.99 0.50 1 88 . 10 GLN N N 118.52 0.25 1 89 . 10 GLN NE2 N 111.64 0.25 1 90 . 11 ALA H H 7.88 0.03 1 91 . 11 ALA HA H 4.11 0.03 1 92 . 11 ALA HB H 1.53 0.03 1 93 . 11 ALA CA C 55.31 0.50 1 94 . 11 ALA CB C 18.69 0.50 1 95 . 11 ALA N N 122.40 0.25 1 96 . 12 PHE H H 7.96 0.03 1 97 . 12 PHE HA H 3.71 0.03 1 98 . 12 PHE HB2 H 2.83 0.03 1 99 . 12 PHE HB3 H 3.31 0.03 1 100 . 12 PHE HD1 H 6.76 0.03 1 101 . 12 PHE HD2 H 6.76 0.03 1 102 . 12 PHE HE1 H 6.87 0.03 1 103 . 12 PHE HE2 H 6.87 0.03 1 104 . 12 PHE HZ H 7.39 0.03 1 105 . 12 PHE CA C 62.04 0.50 1 106 . 12 PHE CB C 39.71 0.50 1 107 . 12 PHE CD1 C 131.90 0.50 1 108 . 12 PHE CD2 C 131.90 0.50 1 109 . 12 PHE CE1 C 129.80 0.50 1 110 . 12 PHE CE2 C 129.80 0.50 1 111 . 12 PHE CZ C 129.80 0.50 1 112 . 12 PHE N N 117.71 0.25 1 113 . 13 SER H H 8.05 0.03 1 114 . 13 SER HA H 4.27 0.03 1 115 . 13 SER HB2 H 4.10 0.03 1 116 . 13 SER HB3 H 4.10 0.03 1 117 . 13 SER CA C 61.78 0.50 1 118 . 13 SER CB C 63.16 0.50 1 119 . 13 SER N N 112.14 0.25 1 120 . 14 LEU H H 7.53 0.03 1 121 . 14 LEU HA H 3.93 0.03 1 122 . 14 LEU HB2 H 1.72 0.03 1 123 . 14 LEU HB3 H 1.15 0.03 1 124 . 14 LEU HG H 1.69 0.03 1 125 . 14 LEU HD1 H 0.82 0.03 1 126 . 14 LEU HD2 H 0.73 0.03 1 127 . 14 LEU CA C 56.94 0.50 1 128 . 14 LEU CB C 41.22 0.50 1 129 . 14 LEU CG C 26.43 0.50 1 130 . 14 LEU CD1 C 24.77 0.50 1 131 . 14 LEU CD2 C 22.62 0.50 1 132 . 14 LEU N N 121.12 0.25 1 133 . 15 PHE H H 7.49 0.03 1 134 . 15 PHE HA H 4.24 0.03 1 135 . 15 PHE HB2 H 2.62 0.03 1 136 . 15 PHE HB3 H 3.03 0.03 1 137 . 15 PHE HD1 H 7.34 0.03 1 138 . 15 PHE HD2 H 7.34 0.03 1 139 . 15 PHE CA C 58.51 0.50 1 140 . 15 PHE CB C 39.64 0.50 1 141 . 15 PHE CD1 C 132.41 0.50 1 142 . 15 PHE CD2 C 132.41 0.50 1 143 . 15 PHE N N 115.48 0.25 1 144 . 16 ASP H H 7.34 0.03 1 145 . 16 ASP HA H 4.77 0.03 1 146 . 16 ASP HB2 H 2.88 0.03 2 147 . 16 ASP HB3 H 2.10 0.03 2 148 . 16 ASP CA C 52.19 0.50 1 149 . 16 ASP CB C 39.69 0.50 1 150 . 16 ASP N N 122.41 0.25 1 151 . 17 ARG H H 7.96 0.03 1 152 . 17 ARG HA H 3.99 0.03 1 153 . 17 ARG HB2 H 1.54 0.03 1 154 . 17 ARG HB3 H 1.54 0.03 1 155 . 17 ARG HG2 H 1.38 0.03 1 156 . 17 ARG HG3 H 1.38 0.03 1 157 . 17 ARG HD2 H 3.08 0.03 1 158 . 17 ARG HD3 H 3.08 0.03 1 159 . 17 ARG CA C 58.05 0.50 1 160 . 17 ARG CB C 30.07 0.50 1 161 . 17 ARG CG C 26.85 0.50 1 162 . 17 ARG CD C 42.88 0.50 1 163 . 17 ARG N N 122.38 0.25 1 164 . 18 HIS H H 8.78 0.03 1 165 . 18 HIS HA H 4.87 0.03 1 166 . 18 HIS HB2 H 3.14 0.03 1 167 . 18 HIS HB3 H 3.43 0.03 1 168 . 18 HIS HD2 H 7.15 0.03 1 169 . 18 HIS HE1 H 8.09 0.03 1 170 . 18 HIS CA C 55.17 0.50 1 171 . 18 HIS CB C 30.18 0.50 1 172 . 18 HIS CD2 C 120.21 0.50 1 173 . 18 HIS CE1 C 137.70 0.50 1 174 . 18 HIS N N 114.71 0.25 1 175 . 18 HIS ND1 N 203.50 0.25 1 176 . 18 HIS NE2 N 181.00 0.25 1 177 . 19 GLY H H 7.94 0.03 1 178 . 19 GLY HA2 H 3.95 0.03 1 179 . 19 GLY HA3 H 3.95 0.03 1 180 . 19 GLY CA C 47.49 0.50 1 181 . 19 GLY N N 110.86 0.25 1 182 . 20 THR H H 9.14 0.03 1 183 . 20 THR HA H 4.40 0.03 1 184 . 20 THR HB H 4.40 0.03 1 185 . 20 THR HG2 H 1.23 0.03 1 186 . 20 THR CA C 61.83 0.50 1 187 . 20 THR CB C 70.55 0.50 1 188 . 20 THR CG2 C 22.10 0.50 1 189 . 20 THR N N 112.09 0.25 1 190 . 21 GLY H H 10.48 0.03 1 191 . 21 GLY HA2 H 4.33 0.03 2 192 . 21 GLY HA3 H 3.82 0.03 2 193 . 21 GLY CA C 45.52 0.50 1 194 . 21 GLY N N 114.71 0.25 1 195 . 22 ARG H H 7.68 0.03 1 196 . 22 ARG HA H 5.33 0.03 1 197 . 22 ARG HB2 H 1.52 0.03 1 198 . 22 ARG HB3 H 1.52 0.03 1 199 . 22 ARG HG2 H 1.55 0.03 2 200 . 22 ARG HG3 H 1.41 0.03 2 201 . 22 ARG HD2 H 2.96 0.03 2 202 . 22 ARG HD3 H 3.15 0.03 2 203 . 22 ARG CA C 54.27 0.50 1 204 . 22 ARG CB C 34.62 0.50 1 205 . 22 ARG CG C 27.59 0.50 1 206 . 22 ARG CD C 43.42 0.50 1 207 . 22 ARG N N 117.74 0.25 1 208 . 23 ILE H H 8.71 0.03 1 209 . 23 ILE HA H 4.86 0.03 1 210 . 23 ILE HB H 1.51 0.03 1 211 . 23 ILE HG12 H 1.13 0.03 2 212 . 23 ILE HG13 H 0.71 0.03 2 213 . 23 ILE HD1 H 0.16 0.03 1 214 . 23 ILE HG2 H 0.01 0.03 1 215 . 23 ILE CA C 56.91 0.50 1 216 . 23 ILE CB C 39.10 0.50 1 217 . 23 ILE CG1 C 25.02 0.50 1 218 . 23 ILE CD1 C 14.68 0.50 1 219 . 23 ILE CG2 C 17.77 0.50 1 220 . 23 ILE N N 113.86 0.25 1 221 . 24 PRO HA H 4.90 0.03 1 222 . 24 PRO HB2 H 2.21 0.03 2 223 . 24 PRO HB3 H 2.10 0.03 2 224 . 24 PRO HG2 H 2.46 0.03 1 225 . 24 PRO HG3 H 2.46 0.03 1 226 . 24 PRO HD2 H 3.56 0.03 1 227 . 24 PRO HD3 H 3.56 0.03 1 228 . 24 PRO CA C 62.34 0.50 1 229 . 24 PRO CB C 31.98 0.50 1 230 . 24 PRO CG C 27.93 0.50 1 231 . 25 LYS H H 8.57 0.03 1 232 . 25 LYS HA H 3.90 0.03 1 233 . 25 LYS HB2 H 2.29 0.03 1 234 . 25 LYS HB3 H 1.79 0.03 1 235 . 25 LYS HG2 H 1.61 0.03 2 236 . 25 LYS HG3 H 1.18 0.03 2 237 . 25 LYS HD2 H 1.71 0.03 1 238 . 25 LYS HD3 H 1.71 0.03 1 239 . 25 LYS HE2 H 2.96 0.03 1 240 . 25 LYS HE3 H 2.96 0.03 1 241 . 25 LYS CA C 59.53 0.50 1 242 . 25 LYS CB C 31.47 0.50 1 243 . 25 LYS CG C 23.80 0.50 1 244 . 25 LYS CD C 29.19 0.50 1 245 . 25 LYS CE C 41.29 0.50 1 246 . 25 LYS N N 122.48 0.25 1 247 . 26 THR H H 7.28 0.03 1 248 . 26 THR HA H 4.28 0.03 1 249 . 26 THR HB H 4.51 0.03 1 250 . 26 THR HG2 H 1.31 0.03 1 251 . 26 THR CA C 62.82 0.50 1 252 . 26 THR CB C 68.22 0.50 1 253 . 26 THR CG2 C 22.04 0.50 1 254 . 26 THR N N 106.58 0.25 1 255 . 27 SER H H 8.14 0.03 1 256 . 27 SER HA H 3.94 0.03 1 257 . 27 SER HB2 H 3.75 0.03 1 258 . 27 SER HB3 H 3.75 0.03 1 259 . 27 SER CA C 59.49 0.50 1 260 . 27 SER CB C 64.21 0.50 1 261 . 27 SER N N 118.14 0.25 1 262 . 28 ILE H H 7.73 0.03 1 263 . 28 ILE HA H 3.70 0.03 1 264 . 28 ILE HB H 1.97 0.03 1 265 . 28 ILE HG12 H 1.42 0.03 1 266 . 28 ILE HG13 H 1.42 0.03 1 267 . 28 ILE HD1 H 0.95 0.03 1 268 . 28 ILE HG2 H 0.98 0.03 1 269 . 28 ILE CA C 62.37 0.50 1 270 . 28 ILE CB C 37.64 0.50 1 271 . 28 ILE CG1 C 29.45 0.50 1 272 . 28 ILE CD1 C 13.37 0.50 1 273 . 28 ILE CG2 C 18.86 0.50 1 274 . 28 ILE N N 121.55 0.25 1 275 . 29 GLY H H 9.02 0.03 1 276 . 29 GLY HA2 H 3.82 0.03 2 277 . 29 GLY HA3 H 3.43 0.03 2 278 . 29 GLY CA C 47.91 0.50 1 279 . 29 GLY N N 110.86 0.25 1 280 . 30 ASP H H 7.80 0.03 1 281 . 30 ASP HA H 4.36 0.03 1 282 . 30 ASP HB2 H 2.72 0.03 1 283 . 30 ASP HB3 H 2.52 0.03 1 284 . 30 ASP CA C 56.99 0.50 1 285 . 30 ASP CB C 40.76 0.50 1 286 . 30 ASP N N 120.69 0.25 1 287 . 31 LEU H H 7.77 0.03 1 288 . 31 LEU HA H 3.79 0.03 1 289 . 31 LEU HB2 H 0.38 0.03 1 290 . 31 LEU HB3 H 1.40 0.03 1 291 . 31 LEU HG H 1.01 0.03 1 292 . 31 LEU HD1 H 0.53 0.03 1 293 . 31 LEU HD2 H -0.20 0.03 1 294 . 31 LEU CA C 57.56 0.50 1 295 . 31 LEU CB C 40.03 0.50 1 296 . 31 LEU CG C 26.96 0.50 1 297 . 31 LEU CD1 C 22.32 0.50 1 298 . 31 LEU CD2 C 27.10 0.50 1 299 . 31 LEU N N 123.67 0.25 1 300 . 32 LEU H H 8.75 0.03 1 301 . 32 LEU HA H 3.83 0.03 1 302 . 32 LEU HB2 H 1.93 0.03 1 303 . 32 LEU HB3 H 1.25 0.03 1 304 . 32 LEU HG H 2.09 0.03 1 305 . 32 LEU HD1 H 0.72 0.03 1 306 . 32 LEU HD2 H 0.76 0.03 1 307 . 32 LEU CA C 58.81 0.50 1 308 . 32 LEU CB C 40.04 0.50 1 309 . 32 LEU CG C 26.48 0.50 1 310 . 32 LEU CD1 C 25.51 0.50 1 311 . 32 LEU CD2 C 21.50 0.50 1 312 . 32 LEU N N 119.85 0.25 1 313 . 33 ARG H H 8.00 0.03 1 314 . 33 ARG HA H 4.85 0.03 1 315 . 33 ARG HB2 H 1.99 0.03 1 316 . 33 ARG HB3 H 1.86 0.03 1 317 . 33 ARG HG2 H 1.90 0.03 1 318 . 33 ARG HG3 H 1.90 0.03 1 319 . 33 ARG HD2 H 3.38 0.03 2 320 . 33 ARG HD3 H 3.15 0.03 2 321 . 33 ARG CA C 58.99 0.50 1 322 . 33 ARG CB C 30.70 0.50 1 323 . 33 ARG CG C 29.32 0.50 1 324 . 33 ARG CD C 43.84 0.50 1 325 . 33 ARG N N 118.53 0.25 1 326 . 34 ALA H H 8.27 0.03 1 327 . 34 ALA HA H 4.37 0.03 1 328 . 34 ALA HB H 1.80 0.03 1 329 . 34 ALA CA C 54.62 0.50 1 330 . 34 ALA CB C 17.80 0.50 1 331 . 34 ALA N N 124.95 0.25 1 332 . 35 CYS H H 7.57 0.03 1 333 . 35 CYS HA H 4.64 0.03 1 334 . 35 CYS HB2 H 3.07 0.03 1 335 . 35 CYS HB3 H 3.07 0.03 1 336 . 35 CYS CA C 60.19 0.50 1 337 . 35 CYS CB C 28.32 0.50 1 338 . 35 CYS N N 114.20 0.25 1 339 . 36 GLY H H 7.94 0.03 1 340 . 36 GLY HA2 H 4.40 0.03 2 341 . 36 GLY HA3 H 3.86 0.03 2 342 . 36 GLY CA C 45.59 0.50 1 343 . 36 GLY N N 106.16 0.25 1 344 . 37 GLN H H 7.86 0.03 1 345 . 37 GLN HA H 4.54 0.03 1 346 . 37 GLN HB2 H 1.50 0.03 1 347 . 37 GLN HB3 H 1.87 0.03 1 348 . 37 GLN HG2 H 1.95 0.03 1 349 . 37 GLN HG3 H 1.95 0.03 1 350 . 37 GLN CA C 54.74 0.50 1 351 . 37 GLN CB C 29.35 0.50 1 352 . 37 GLN CG C 34.01 0.50 1 353 . 37 GLN N N 117.72 0.25 1 354 . 38 ASN H H 8.79 0.03 1 355 . 38 ASN HA H 5.21 0.03 1 356 . 38 ASN HB2 H 2.78 0.03 2 357 . 38 ASN HB3 H 2.51 0.03 2 358 . 38 ASN HD21 H 6.77 0.03 2 359 . 38 ASN HD22 H 7.59 0.03 2 360 . 38 ASN CA C 51.23 0.50 1 361 . 38 ASN CB C 39.50 0.50 1 362 . 38 ASN N N 116.42 0.25 1 363 . 38 ASN ND2 N 112.38 0.25 1 364 . 39 PRO HA H 4.70 0.03 1 365 . 39 PRO HB2 H 2.08 0.03 2 366 . 39 PRO HB3 H 1.73 0.03 2 367 . 39 PRO HG2 H 1.90 0.03 1 368 . 39 PRO HG3 H 1.90 0.03 1 369 . 39 PRO HD2 H 3.54 0.03 2 370 . 39 PRO HD3 H 3.21 0.03 2 371 . 39 PRO CA C 62.10 0.50 1 372 . 39 PRO CB C 31.64 0.50 1 373 . 39 PRO CG C 27.19 0.50 1 374 . 39 PRO CD C 49.74 0.50 1 375 . 40 THR H H 8.79 0.03 1 376 . 40 THR HA H 4.38 0.03 1 377 . 40 THR HB H 4.73 0.03 1 378 . 40 THR HG2 H 1.38 0.03 1 379 . 40 THR CA C 60.72 0.50 1 380 . 40 THR CB C 71.06 0.50 1 381 . 40 THR CG2 C 21.71 0.50 1 382 . 40 THR N N 113.00 0.25 1 383 . 41 LEU H H 8.65 0.03 1 384 . 41 LEU HA H 4.09 0.03 1 385 . 41 LEU HB2 H 1.68 0.03 1 386 . 41 LEU HB3 H 1.68 0.03 1 387 . 41 LEU HG H 1.68 0.03 1 388 . 41 LEU HD1 H 0.94 0.03 1 389 . 41 LEU HD2 H 0.91 0.03 1 390 . 41 LEU CA C 58.26 0.50 1 391 . 41 LEU CB C 41.10 0.50 1 392 . 41 LEU CG C 27.13 0.50 1 393 . 41 LEU CD1 C 27.13 0.50 1 394 . 41 LEU CD2 C 24.03 0.50 1 395 . 41 LEU N N 121.55 0.25 1 396 . 42 ALA H H 8.43 0.03 1 397 . 42 ALA HA H 4.08 0.03 1 398 . 42 ALA HB H 1.41 0.03 1 399 . 42 ALA CA C 55.15 0.50 1 400 . 42 ALA CB C 18.19 0.50 1 401 . 42 ALA N N 121.55 0.25 1 402 . 43 GLU H H 7.80 0.03 1 403 . 43 GLU HA H 4.04 0.03 1 404 . 43 GLU HB2 H 1.96 0.03 1 405 . 43 GLU HB3 H 1.96 0.03 1 406 . 43 GLU HG2 H 2.31 0.03 1 407 . 43 GLU HG3 H 2.31 0.03 1 408 . 43 GLU CA C 59.07 0.50 1 409 . 43 GLU CB C 29.90 0.50 1 410 . 43 GLU CG C 37.30 0.50 1 411 . 43 GLU N N 120.00 0.25 1 412 . 44 ILE H H 8.45 0.03 1 413 . 44 ILE HA H 3.56 0.03 1 414 . 44 ILE HB H 1.98 0.03 1 415 . 44 ILE HG12 H 1.69 0.03 2 416 . 44 ILE HG13 H 0.93 0.03 2 417 . 44 ILE HD1 H 0.76 0.03 1 418 . 44 ILE HG2 H 0.92 0.03 1 419 . 44 ILE CA C 64.55 0.50 1 420 . 44 ILE CB C 37.36 0.50 1 421 . 44 ILE CG1 C 29.31 0.50 1 422 . 44 ILE CD1 C 13.22 0.50 1 423 . 44 ILE CG2 C 17.99 0.50 1 424 . 44 ILE N N 119.88 0.25 1 425 . 45 THR H H 8.33 0.03 1 426 . 45 THR HA H 3.92 0.03 1 427 . 45 THR HB H 4.24 0.03 1 428 . 45 THR HG2 H 1.24 0.03 1 429 . 45 THR CA C 66.79 0.50 1 430 . 45 THR CB C 68.73 0.50 1 431 . 45 THR CG2 C 21.15 0.50 1 432 . 45 THR N N 117.04 0.25 1 433 . 46 GLU H H 7.71 0.03 1 434 . 46 GLU HA H 4.05 0.03 1 435 . 46 GLU HB2 H 2.13 0.03 1 436 . 46 GLU HB3 H 2.13 0.03 1 437 . 46 GLU HG2 H 2.27 0.03 1 438 . 46 GLU HG3 H 2.27 0.03 1 439 . 46 GLU CA C 59.48 0.50 1 440 . 46 GLU CB C 29.27 0.50 1 441 . 46 GLU CG C 35.81 0.50 1 442 . 46 GLU N N 122.42 0.25 1 443 . 47 ILE H H 8.56 0.03 1 444 . 47 ILE HA H 3.64 0.03 1 445 . 47 ILE HB H 1.89 0.03 1 446 . 47 ILE HG12 H 0.99 0.03 1 447 . 47 ILE HG13 H 0.99 0.03 1 448 . 47 ILE HD1 H 0.62 0.03 1 449 . 47 ILE HG2 H 0.87 0.03 1 450 . 47 ILE CA C 65.48 0.50 1 451 . 47 ILE CB C 38.78 0.50 1 452 . 47 ILE CG1 C 29.17 0.50 1 453 . 47 ILE CD1 C 13.38 0.50 1 454 . 47 ILE CG2 C 18.04 0.50 1 455 . 47 ILE N N 122.02 0.25 1 456 . 48 GLU H H 9.08 0.03 1 457 . 48 GLU HA H 3.68 0.03 1 458 . 48 GLU HB2 H 1.98 0.03 1 459 . 48 GLU HB3 H 1.98 0.03 1 460 . 48 GLU HG2 H 2.19 0.03 2 461 . 48 GLU HG3 H 2.48 0.03 2 462 . 48 GLU CA C 60.66 0.50 1 463 . 48 GLU CB C 30.14 0.50 1 464 . 48 GLU CG C 37.36 0.50 1 465 . 48 GLU N N 118.99 0.25 1 466 . 49 SER H H 7.73 0.03 1 467 . 49 SER HA H 4.32 0.03 1 468 . 49 SER HB2 H 4.07 0.03 1 469 . 49 SER HB3 H 4.07 0.03 1 470 . 49 SER CA C 61.37 0.50 1 471 . 49 SER CB C 63.19 0.50 1 472 . 49 SER N N 113.00 0.25 1 473 . 50 THR H H 7.52 0.03 1 474 . 50 THR HA H 4.45 0.03 1 475 . 50 THR HB H 4.45 0.03 1 476 . 50 THR HG2 H 1.28 0.03 1 477 . 50 THR CA C 61.64 0.50 1 478 . 50 THR CB C 70.06 0.50 1 479 . 50 THR CG2 C 21.45 0.50 1 480 . 50 THR N N 110.43 0.25 1 481 . 51 LEU H H 7.24 0.03 1 482 . 51 LEU HA H 4.78 0.03 1 483 . 51 LEU HB2 H 1.72 0.03 1 484 . 51 LEU HB3 H 1.56 0.03 1 485 . 51 LEU HG H 1.83 0.03 1 486 . 51 LEU HD1 H 0.50 0.03 1 487 . 51 LEU HD2 H 0.83 0.03 1 488 . 51 LEU CA C 52.63 0.50 1 489 . 51 LEU CB C 43.11 0.50 1 490 . 51 LEU CG C 27.20 0.50 1 491 . 51 LEU CD1 C 20.65 0.50 1 492 . 51 LEU CD2 C 21.41 0.50 1 493 . 51 LEU N N 123.20 0.25 1 494 . 52 PRO HA H 4.69 0.03 1 495 . 52 PRO HB2 H 2.93 0.03 2 496 . 52 PRO HB3 H 2.32 0.03 2 497 . 52 PRO HG2 H 2.18 0.03 1 498 . 52 PRO HG3 H 2.18 0.03 1 499 . 52 PRO HD2 H 3.85 0.03 2 500 . 52 PRO HD3 H 3.40 0.03 2 501 . 52 PRO CA C 61.78 0.50 1 502 . 52 PRO CB C 31.78 0.50 1 503 . 52 PRO CG C 26.43 0.50 1 504 . 52 PRO CD C 49.96 0.50 1 505 . 53 ALA H H 8.09 0.03 1 506 . 53 ALA HA H 3.84 0.03 1 507 . 53 ALA HB H 1.51 0.03 1 508 . 53 ALA CA C 55.89 0.50 1 509 . 53 ALA CB C 19.03 0.50 1 510 . 53 ALA N N 116.50 0.25 1 511 . 54 GLU H H 7.69 0.03 1 512 . 54 GLU HA H 4.99 0.03 1 513 . 54 GLU HB2 H 1.83 0.03 2 514 . 54 GLU HB3 H 1.72 0.03 2 515 . 54 GLU HG2 H 2.02 0.03 2 516 . 54 GLU HG3 H 2.15 0.03 2 517 . 54 GLU CA C 54.36 0.50 1 518 . 54 GLU CB C 33.01 0.50 1 519 . 54 GLU CG C 36.29 0.50 1 520 . 54 GLU N N 113.85 0.25 1 521 . 55 VAL H H 9.45 0.03 1 522 . 55 VAL HA H 4.46 0.03 1 523 . 55 VAL HB H 2.09 0.03 1 524 . 55 VAL HG1 H 1.13 0.03 1 525 . 55 VAL HG2 H 0.93 0.03 1 526 . 55 VAL CA C 61.20 0.50 1 527 . 55 VAL CB C 34.73 0.50 1 528 . 55 VAL CG1 C 21.63 0.50 1 529 . 55 VAL CG2 C 22.14 0.50 1 530 . 55 VAL N N 121.98 0.25 1 531 . 56 ASP H H 8.58 0.03 1 532 . 56 ASP HA H 5.47 0.03 1 533 . 56 ASP HB2 H 3.32 0.03 1 534 . 56 ASP HB3 H 2.63 0.03 1 535 . 56 ASP CA C 52.02 0.50 1 536 . 56 ASP CB C 42.06 0.50 1 537 . 56 ASP N N 124.97 0.25 1 538 . 57 MET H H 8.36 0.03 1 539 . 57 MET HA H 3.56 0.03 1 540 . 57 MET HB2 H 2.23 0.03 2 541 . 57 MET HB3 H 2.09 0.03 2 542 . 57 MET HG2 H 1.80 0.03 2 543 . 57 MET HG3 H 1.40 0.03 2 544 . 57 MET CA C 58.44 0.50 1 545 . 57 MET CB C 31.67 0.50 1 546 . 57 MET CG C 31.76 0.50 1 547 . 57 MET N N 118.13 0.25 1 548 . 58 GLU H H 7.98 0.03 1 549 . 58 GLU HA H 3.87 0.03 1 550 . 58 GLU HB2 H 2.06 0.03 1 551 . 58 GLU HB3 H 2.06 0.03 1 552 . 58 GLU HG2 H 2.25 0.03 1 553 . 58 GLU HG3 H 2.25 0.03 1 554 . 58 GLU CA C 59.91 0.50 1 555 . 58 GLU CB C 29.06 0.50 1 556 . 58 GLU CG C 36.68 0.50 1 557 . 58 GLU N N 118.18 0.25 1 558 . 59 GLN H H 8.71 0.03 1 559 . 59 GLN HA H 4.04 0.03 1 560 . 59 GLN HB2 H 2.38 0.03 1 561 . 59 GLN HB3 H 1.92 0.03 1 562 . 59 GLN HG2 H 2.64 0.03 2 563 . 59 GLN HG3 H 2.38 0.03 2 564 . 59 GLN HE21 H 7.41 0.03 2 565 . 59 GLN HE22 H 6.54 0.03 2 566 . 59 GLN CA C 58.68 0.50 1 567 . 59 GLN CB C 28.99 0.50 1 568 . 59 GLN CG C 34.76 0.50 1 569 . 59 GLN N N 120.26 0.25 1 570 . 59 GLN NE2 N 109.90 0.25 1 571 . 60 PHE H H 8.63 0.03 1 572 . 60 PHE HA H 4.24 0.03 1 573 . 60 PHE HB2 H 3.37 0.03 1 574 . 60 PHE HB3 H 3.20 0.03 1 575 . 60 PHE HD1 H 7.15 0.03 1 576 . 60 PHE HD2 H 7.15 0.03 1 577 . 60 PHE CA C 60.19 0.50 1 578 . 60 PHE CB C 38.25 0.50 1 579 . 60 PHE CD1 C 132.64 0.50 1 580 . 60 PHE CD2 C 132.64 0.50 1 581 . 60 PHE N N 120.69 0.25 1 582 . 61 LEU H H 8.57 0.03 1 583 . 61 LEU HA H 3.26 0.03 1 584 . 61 LEU HB2 H 1.79 0.03 1 585 . 61 LEU HB3 H 1.21 0.03 1 586 . 61 LEU HG H 1.75 0.03 1 587 . 61 LEU HD1 H 0.82 0.03 1 588 . 61 LEU HD2 H 0.59 0.03 1 589 . 61 LEU CA C 57.77 0.50 1 590 . 61 LEU CB C 40.83 0.50 1 591 . 61 LEU CG C 26.61 0.50 1 592 . 61 LEU CD1 C 25.51 0.50 1 593 . 61 LEU CD2 C 22.53 0.50 1 594 . 61 LEU N N 120.70 0.25 1 595 . 62 GLN H H 7.52 0.03 1 596 . 62 GLN HA H 3.95 0.03 1 597 . 62 GLN HB2 H 2.17 0.03 1 598 . 62 GLN HB3 H 2.17 0.03 1 599 . 62 GLN HG2 H 2.51 0.03 2 600 . 62 GLN HG3 H 2.38 0.03 2 601 . 62 GLN HE21 H 6.81 0.03 2 602 . 62 GLN HE22 H 7.45 0.03 2 603 . 62 GLN CA C 58.75 0.50 1 604 . 62 GLN CB C 28.27 0.50 1 605 . 62 GLN CG C 33.99 0.50 1 606 . 62 GLN N N 117.61 0.25 1 607 . 62 GLN NE2 N 111.21 0.25 1 608 . 63 VAL H H 7.48 0.03 1 609 . 63 VAL HA H 3.78 0.03 1 610 . 63 VAL HB H 2.31 0.03 1 611 . 63 VAL HG1 H 1.12 0.03 1 612 . 63 VAL HG2 H 0.97 0.03 1 613 . 63 VAL CA C 65.13 0.50 1 614 . 63 VAL CB C 31.87 0.50 1 615 . 63 VAL CG1 C 22.65 0.50 1 616 . 63 VAL CG2 C 22.65 0.50 1 617 . 63 VAL N N 118.99 0.25 1 618 . 64 LEU H H 8.49 0.03 1 619 . 64 LEU HA H 3.41 0.03 1 620 . 64 LEU HB2 H 0.78 0.03 1 621 . 64 LEU HB3 H 1.32 0.03 1 622 . 64 LEU HG H 1.10 0.03 1 623 . 64 LEU HD1 H 0.48 0.03 1 624 . 64 LEU HD2 H 0.27 0.03 1 625 . 64 LEU CA C 58.14 0.50 1 626 . 64 LEU CB C 41.96 0.50 1 627 . 64 LEU CG C 25.70 0.50 1 628 . 64 LEU CD1 C 23.66 0.50 1 629 . 64 LEU CD2 C 25.69 0.50 1 630 . 64 LEU N N 123.26 0.25 1 631 . 65 ASN H H 7.48 0.03 1 632 . 65 ASN HA H 4.69 0.03 1 633 . 65 ASN HB2 H 2.58 0.03 1 634 . 65 ASN HB3 H 2.99 0.03 1 635 . 65 ASN HD21 H 6.83 0.03 2 636 . 65 ASN HD22 H 7.30 0.03 2 637 . 65 ASN CA C 53.29 0.50 1 638 . 65 ASN CB C 38.60 0.50 1 639 . 65 ASN N N 112.57 0.25 1 640 . 65 ASN ND2 N 112.30 0.25 1 641 . 66 ARG H H 7.22 0.03 1 642 . 66 ARG HA H 4.36 0.03 1 643 . 66 ARG HB2 H 1.80 0.03 1 644 . 66 ARG HB3 H 1.80 0.03 1 645 . 66 ARG CA C 54.50 0.50 1 646 . 66 ARG CB C 27.17 0.50 1 647 . 66 ARG N N 121.14 0.25 1 648 . 67 PRO HA H 4.36 0.03 1 649 . 67 PRO HB2 H 2.28 0.03 2 650 . 67 PRO HB3 H 2.04 0.03 2 651 . 67 PRO HG2 H 2.05 0.03 1 652 . 67 PRO HG3 H 2.05 0.03 1 653 . 67 PRO HD2 H 3.91 0.03 1 654 . 67 PRO HD3 H 3.91 0.03 1 655 . 67 PRO CA C 63.98 0.50 1 656 . 67 PRO CB C 31.54 0.50 1 657 . 67 PRO CG C 27.72 0.50 1 658 . 67 PRO CD C 50.90 0.50 1 659 . 68 ASN H H 8.80 0.03 1 660 . 68 ASN HA H 4.58 0.03 1 661 . 68 ASN HB2 H 2.93 0.03 2 662 . 68 ASN HB3 H 2.89 0.03 2 663 . 68 ASN HD21 H 6.87 0.03 2 664 . 68 ASN HD22 H 7.68 0.03 2 665 . 68 ASN CA C 54.16 0.50 1 666 . 68 ASN CB C 38.20 0.50 1 667 . 68 ASN N N 116.83 0.25 1 668 . 68 ASN ND2 N 112.34 0.25 1 669 . 69 GLY H H 8.09 0.03 1 670 . 69 GLY HA2 H 3.62 0.03 1 671 . 69 GLY HA3 H 3.62 0.03 1 672 . 69 GLY CA C 46.23 0.50 1 673 . 69 GLY N N 108.29 0.25 1 674 . 70 PHE H H 8.23 0.03 1 675 . 70 PHE HA H 4.64 0.03 1 676 . 70 PHE HB2 H 2.92 0.03 1 677 . 70 PHE HB3 H 3.28 0.03 1 678 . 70 PHE HD1 H 7.35 0.03 1 679 . 70 PHE HD2 H 7.35 0.03 1 680 . 70 PHE CA C 57.91 0.50 1 681 . 70 PHE CB C 39.67 0.50 1 682 . 70 PHE CD1 C 132.07 0.50 1 683 . 70 PHE CD2 C 132.07 0.50 1 684 . 70 PHE N N 117.72 0.25 1 685 . 71 ASP H H 8.16 0.03 1 686 . 71 ASP HA H 4.58 0.03 1 687 . 71 ASP HB2 H 2.64 0.03 2 688 . 71 ASP HB3 H 2.75 0.03 2 689 . 71 ASP CA C 54.44 0.50 1 690 . 71 ASP CB C 41.15 0.50 1 691 . 71 ASP N N 121.96 0.25 1 692 . 72 MET H H 8.37 0.03 1 693 . 72 MET HA H 4.81 0.03 1 694 . 72 MET HB2 H 1.99 0.03 2 695 . 72 MET HB3 H 2.07 0.03 2 696 . 72 MET HG2 H 2.64 0.03 2 697 . 72 MET HG3 H 2.59 0.03 2 698 . 72 MET CA C 53.05 0.50 1 699 . 72 MET CB C 32.82 0.50 1 700 . 72 MET CG C 31.87 0.50 1 701 . 72 MET N N 121.66 0.25 1 702 . 73 PRO HA H 4.48 0.03 1 703 . 73 PRO HB2 H 2.29 0.03 2 704 . 73 PRO HB3 H 1.98 0.03 2 705 . 73 PRO HG2 H 2.00 0.03 1 706 . 73 PRO HG3 H 2.00 0.03 1 707 . 73 PRO HD2 H 3.84 0.03 2 708 . 73 PRO HD3 H 3.69 0.03 2 709 . 73 PRO CA C 63.14 0.50 1 710 . 73 PRO CB C 32.20 0.50 1 711 . 73 PRO CG C 27.36 0.50 1 712 . 73 PRO CD C 50.73 0.50 1 713 . 74 GLY H H 8.35 0.03 1 714 . 74 GLY HA2 H 4.02 0.03 2 715 . 74 GLY HA3 H 3.85 0.03 2 716 . 74 GLY CA C 44.97 0.50 1 717 . 74 GLY N N 108.41 0.25 1 718 . 75 ASP H H 8.26 0.03 1 719 . 75 ASP HA H 4.95 0.03 1 720 . 75 ASP HB2 H 2.80 0.03 1 721 . 75 ASP HB3 H 2.62 0.03 1 722 . 75 ASP CA C 51.97 0.50 1 723 . 75 ASP CB C 41.62 0.50 1 724 . 75 ASP N N 121.55 0.25 1 725 . 76 PRO HA H 4.32 0.03 1 726 . 76 PRO HB2 H 2.29 0.03 2 727 . 76 PRO HB3 H 2.05 0.03 2 728 . 76 PRO HG2 H 2.11 0.03 1 729 . 76 PRO HG3 H 2.11 0.03 1 730 . 76 PRO HD2 H 3.92 0.03 1 731 . 76 PRO HD3 H 3.92 0.03 1 732 . 76 PRO CA C 64.52 0.50 1 733 . 76 PRO CB C 32.23 0.50 1 734 . 76 PRO CG C 27.44 0.50 1 735 . 76 PRO CD C 50.93 0.50 1 736 . 77 GLU H H 8.46 0.03 1 737 . 77 GLU HA H 4.17 0.03 1 738 . 77 GLU HB2 H 2.06 0.03 1 739 . 77 GLU HB3 H 2.06 0.03 1 740 . 77 GLU HG2 H 2.32 0.03 1 741 . 77 GLU HG3 H 2.32 0.03 1 742 . 77 GLU CA C 58.29 0.50 1 743 . 77 GLU CB C 29.51 0.50 1 744 . 77 GLU CG C 36.60 0.50 1 745 . 77 GLU N N 118.56 0.25 1 746 . 78 GLU H H 8.03 0.03 1 747 . 78 GLU HA H 4.07 0.03 1 748 . 78 GLU HB2 H 2.00 0.03 1 749 . 78 GLU HB3 H 2.00 0.03 1 750 . 78 GLU HG2 H 2.22 0.03 1 751 . 78 GLU HG3 H 2.22 0.03 1 752 . 78 GLU CA C 58.19 0.50 1 753 . 78 GLU CB C 29.67 0.50 1 754 . 78 GLU CG C 36.20 0.50 1 755 . 78 GLU N N 119.22 0.25 1 756 . 79 PHE H H 7.90 0.03 1 757 . 79 PHE HA H 4.22 0.03 1 758 . 79 PHE HB2 H 3.02 0.03 1 759 . 79 PHE HB3 H 3.17 0.03 1 760 . 79 PHE HD1 H 7.18 0.03 1 761 . 79 PHE HD2 H 7.18 0.03 1 762 . 79 PHE CA C 59.57 0.50 1 763 . 79 PHE CB C 38.97 0.50 1 764 . 79 PHE CD1 C 130.87 0.50 1 765 . 79 PHE CD2 C 130.87 0.50 1 766 . 79 PHE N N 118.97 0.25 1 767 . 80 VAL H H 7.91 0.03 1 768 . 80 VAL HA H 3.79 0.03 1 769 . 80 VAL HB H 2.23 0.03 1 770 . 80 VAL HG1 H 1.08 0.03 1 771 . 80 VAL HG2 H 1.16 0.03 1 772 . 80 VAL CA C 65.67 0.50 1 773 . 80 VAL CB C 32.04 0.50 1 774 . 80 VAL CG1 C 21.27 0.50 1 775 . 80 VAL CG2 C 22.49 0.50 1 776 . 80 VAL N N 117.73 0.25 1 777 . 81 LYS H H 7.92 0.03 1 778 . 81 LYS HA H 4.11 0.03 1 779 . 81 LYS HB2 H 1.83 0.03 1 780 . 81 LYS HB3 H 1.83 0.03 1 781 . 81 LYS HG2 H 1.45 0.03 2 782 . 81 LYS HG3 H 1.59 0.03 2 783 . 81 LYS HD2 H 1.72 0.03 1 784 . 81 LYS HD3 H 1.72 0.03 1 785 . 81 LYS HE2 H 2.96 0.03 1 786 . 81 LYS HE3 H 2.96 0.03 1 787 . 81 LYS CA C 58.70 0.50 1 788 . 81 LYS CB C 32.41 0.50 1 789 . 81 LYS CG C 25.28 0.50 1 790 . 81 LYS CD C 29.61 0.50 1 791 . 81 LYS CE C 42.20 0.50 1 792 . 81 LYS N N 120.26 0.25 1 793 . 82 GLY H H 7.80 0.03 1 794 . 82 GLY HA2 H 3.86 0.03 2 795 . 82 GLY HA3 H 3.57 0.03 2 796 . 82 GLY CA C 46.32 0.50 1 797 . 82 GLY N N 106.52 0.25 1 798 . 83 PHE H H 7.81 0.03 1 799 . 83 PHE HA H 4.37 0.03 1 800 . 83 PHE HB2 H 2.53 0.03 1 801 . 83 PHE HB3 H 2.35 0.03 1 802 . 83 PHE HD1 H 7.02 0.03 1 803 . 83 PHE HD2 H 7.02 0.03 1 804 . 83 PHE CA C 58.81 0.50 1 805 . 83 PHE CB C 38.48 0.50 1 806 . 83 PHE CD1 C 129.09 0.50 1 807 . 83 PHE CD2 C 129.09 0.50 1 808 . 83 PHE N N 118.55 0.25 1 809 . 84 GLN H H 8.07 0.03 1 810 . 84 GLN HA H 3.98 0.03 1 811 . 84 GLN HB2 H 2.12 0.03 1 812 . 84 GLN HB3 H 2.12 0.03 1 813 . 84 GLN HG2 H 2.57 0.03 1 814 . 84 GLN HG3 H 2.57 0.03 1 815 . 84 GLN HE21 H 6.85 0.03 2 816 . 84 GLN HE22 H 7.50 0.03 2 817 . 84 GLN CA C 58.36 0.50 1 818 . 84 GLN CB C 28.70 0.50 1 819 . 84 GLN CG C 34.43 0.50 1 820 . 84 GLN N N 117.67 0.25 1 821 . 84 GLN NE2 N 110.43 0.25 1 822 . 85 VAL H H 7.28 0.03 1 823 . 85 VAL HA H 4.36 0.03 1 824 . 85 VAL HB H 1.82 0.03 1 825 . 85 VAL HG1 H 0.51 0.03 1 826 . 85 VAL HG2 H 0.83 0.03 1 827 . 85 VAL CA C 64.32 0.50 1 828 . 85 VAL CB C 31.92 0.50 1 829 . 85 VAL CG1 C 20.85 0.50 1 830 . 85 VAL CG2 C 21.41 0.50 1 831 . 85 VAL N N 117.71 0.25 1 832 . 86 PHE H H 6.82 0.03 1 833 . 86 PHE HA H 4.57 0.03 1 834 . 86 PHE HB2 H 3.44 0.03 2 835 . 86 PHE HB3 H 2.81 0.03 2 836 . 86 PHE HD1 H 7.26 0.03 1 837 . 86 PHE HD2 H 7.26 0.03 1 838 . 86 PHE CA C 58.33 0.50 1 839 . 86 PHE CB C 39.77 0.50 1 840 . 86 PHE CD1 C 131.85 0.50 1 841 . 86 PHE CD2 C 131.85 0.50 1 842 . 86 PHE N N 108.33 0.25 1 843 . 87 ASP H H 7.88 0.03 1 844 . 87 ASP HA H 5.08 0.03 1 845 . 87 ASP HB2 H 2.63 0.03 1 846 . 87 ASP HB3 H 2.98 0.03 1 847 . 87 ASP CA C 52.58 0.50 1 848 . 87 ASP CB C 40.75 0.50 1 849 . 87 ASP N N 121.61 0.25 1 850 . 88 LYS H H 8.35 0.03 1 851 . 88 LYS HA H 4.14 0.03 1 852 . 88 LYS HB2 H 1.87 0.03 1 853 . 88 LYS HB3 H 1.87 0.03 1 854 . 88 LYS HG2 H 1.51 0.03 1 855 . 88 LYS HG3 H 1.51 0.03 1 856 . 88 LYS HD2 H 1.70 0.03 1 857 . 88 LYS HD3 H 1.70 0.03 1 858 . 88 LYS HE2 H 3.06 0.03 1 859 . 88 LYS HE3 H 3.06 0.03 1 860 . 88 LYS CA C 58.61 0.50 1 861 . 88 LYS CB C 32.36 0.50 1 862 . 88 LYS CG C 24.76 0.50 1 863 . 88 LYS CD C 29.21 0.50 1 864 . 88 LYS CE C 42.23 0.50 1 865 . 88 LYS N N 123.34 0.25 1 866 . 89 ASP H H 8.61 0.03 1 867 . 89 ASP HA H 4.79 0.03 1 868 . 89 ASP HB2 H 2.85 0.03 1 869 . 89 ASP HB3 H 2.70 0.03 1 870 . 89 ASP CA C 54.30 0.50 1 871 . 89 ASP CB C 41.09 0.50 1 872 . 89 ASP N N 117.69 0.25 1 873 . 90 ALA H H 8.00 0.03 1 874 . 90 ALA HA H 4.20 0.03 1 875 . 90 ALA HB H 1.44 0.03 1 876 . 90 ALA CA C 53.46 0.50 1 877 . 90 ALA CB C 17.01 0.50 1 878 . 90 ALA N N 122.40 0.25 1 879 . 91 THR H H 9.14 0.03 1 880 . 91 THR HA H 4.36 0.03 1 881 . 91 THR HB H 4.26 0.03 1 882 . 91 THR HG2 H 1.22 0.03 1 883 . 91 THR CA C 62.71 0.50 1 884 . 91 THR CB C 69.40 0.50 1 885 . 91 THR CG2 C 21.68 0.50 1 886 . 91 THR N N 111.35 0.25 1 887 . 92 GLY H H 8.32 0.03 1 888 . 92 GLY HA2 H 4.00 0.03 2 889 . 92 GLY HA3 H 3.22 0.03 2 890 . 92 GLY CA C 45.47 0.50 1 891 . 92 GLY N N 109.08 0.25 1 892 . 93 MET H H 7.80 0.03 1 893 . 93 MET HA H 5.48 0.03 1 894 . 93 MET HB2 H 2.17 0.03 2 895 . 93 MET HB3 H 1.79 0.03 2 896 . 93 MET HG2 H 2.60 0.03 2 897 . 93 MET HG3 H 2.34 0.03 2 898 . 93 MET CA C 52.89 0.50 1 899 . 93 MET CB C 34.23 0.50 1 900 . 93 MET CG C 31.79 0.50 1 901 . 93 MET N N 117.60 0.25 1 902 . 94 ILE H H 8.99 0.03 1 903 . 94 ILE HA H 4.78 0.03 1 904 . 94 ILE HB H 1.96 0.03 1 905 . 94 ILE HG12 H 1.57 0.03 2 906 . 94 ILE HG13 H 1.32 0.03 2 907 . 94 ILE HD1 H 0.72 0.03 1 908 . 94 ILE HG2 H 0.89 0.03 1 909 . 94 ILE CA C 59.25 0.50 1 910 . 94 ILE CB C 42.25 0.50 1 911 . 94 ILE CG1 C 26.66 0.50 1 912 . 94 ILE CD1 C 14.37 0.50 1 913 . 94 ILE CG2 C 18.10 0.50 1 914 . 94 ILE N N 117.24 0.25 1 915 . 95 GLY H H 8.90 0.03 1 916 . 95 GLY HA2 H 4.69 0.03 2 917 . 95 GLY HA3 H 3.92 0.03 2 918 . 95 GLY CA C 45.41 0.50 1 919 . 95 GLY N N 112.14 0.25 1 920 . 96 VAL H H 8.18 0.03 1 921 . 96 VAL HA H 3.59 0.03 1 922 . 96 VAL HB H 1.91 0.03 1 923 . 96 VAL HG1 H 0.90 0.03 1 924 . 96 VAL HG2 H 0.90 0.03 1 925 . 96 VAL CA C 66.02 0.50 1 926 . 96 VAL CB C 31.78 0.50 1 927 . 96 VAL CG1 C 21.26 0.50 1 928 . 96 VAL CG2 C 21.26 0.50 1 929 . 96 VAL N N 121.14 0.25 1 930 . 97 GLY H H 8.80 0.03 1 931 . 97 GLY HA2 H 4.30 0.03 2 932 . 97 GLY HA3 H 3.80 0.03 2 933 . 97 GLY CA C 46.64 0.50 1 934 . 97 GLY N N 108.30 0.25 1 935 . 98 GLU H H 7.74 0.03 1 936 . 98 GLU HA H 3.85 0.03 1 937 . 98 GLU HB2 H 1.94 0.03 1 938 . 98 GLU HB3 H 2.03 0.03 1 939 . 98 GLU HG2 H 2.45 0.03 2 940 . 98 GLU HG3 H 2.34 0.03 2 941 . 98 GLU CA C 59.17 0.50 1 942 . 98 GLU CB C 28.48 0.50 1 943 . 98 GLU CG C 37.59 0.50 1 944 . 98 GLU N N 123.25 0.25 1 945 . 99 LEU H H 8.02 0.03 1 946 . 99 LEU HA H 3.80 0.03 1 947 . 99 LEU HB2 H 1.36 0.03 1 948 . 99 LEU HB3 H 1.78 0.03 1 949 . 99 LEU HG H 1.30 0.03 1 950 . 99 LEU HD1 H 0.28 0.03 1 951 . 99 LEU HD2 H 0.23 0.03 1 952 . 99 LEU CA C 58.64 0.50 1 953 . 99 LEU CB C 41.75 0.50 1 954 . 99 LEU CG C 26.24 0.50 1 955 . 99 LEU CD1 C 24.43 0.50 1 956 . 99 LEU CD2 C 25.17 0.50 1 957 . 99 LEU N N 120.29 0.25 1 958 . 100 ARG H H 8.10 0.03 1 959 . 100 ARG HA H 3.85 0.03 1 960 . 100 ARG HB2 H 1.81 0.03 1 961 . 100 ARG HB3 H 1.81 0.03 1 962 . 100 ARG HG2 H 1.72 0.03 2 963 . 100 ARG HG3 H 1.50 0.03 2 964 . 100 ARG HD2 H 3.16 0.03 1 965 . 100 ARG HD3 H 3.16 0.03 1 966 . 100 ARG CA C 59.85 0.50 1 967 . 100 ARG CB C 30.20 0.50 1 968 . 100 ARG CG C 28.38 0.50 1 969 . 100 ARG CD C 43.34 0.50 1 970 . 100 ARG N N 116.86 0.25 1 971 . 101 TYR H H 7.81 0.03 1 972 . 101 TYR HA H 4.20 0.03 1 973 . 101 TYR HB2 H 3.14 0.03 1 974 . 101 TYR HB3 H 3.14 0.03 1 975 . 101 TYR HD1 H 7.08 0.03 1 976 . 101 TYR HD2 H 7.08 0.03 1 977 . 101 TYR HE1 H 6.88 0.03 1 978 . 101 TYR HE2 H 6.88 0.03 1 979 . 101 TYR CA C 61.12 0.50 1 980 . 101 TYR CB C 37.94 0.50 1 981 . 101 TYR CD1 C 133.02 0.50 1 982 . 101 TYR CD2 C 133.02 0.50 1 983 . 101 TYR CE1 C 118.23 0.50 1 984 . 101 TYR CE2 C 118.23 0.50 1 985 . 101 TYR N N 120.68 0.25 1 986 . 102 VAL H H 8.21 0.03 1 987 . 102 VAL HA H 3.38 0.03 1 988 . 102 VAL HB H 2.09 0.03 1 989 . 102 VAL HG1 H 0.42 0.03 1 990 . 102 VAL HG2 H 1.05 0.03 1 991 . 102 VAL CA C 66.39 0.50 1 992 . 102 VAL CB C 31.63 0.50 1 993 . 102 VAL CG1 C 21.03 0.50 1 994 . 102 VAL CG2 C 23.29 0.50 1 995 . 102 VAL N N 121.14 0.25 1 996 . 103 LEU H H 8.17 0.03 1 997 . 103 LEU HA H 4.00 0.03 1 998 . 103 LEU HB2 H 1.97 0.03 1 999 . 103 LEU HB3 H 1.53 0.03 1 1000 . 103 LEU HG H 1.63 0.03 1 1001 . 103 LEU HD1 H 0.90 0.03 1 1002 . 103 LEU HD2 H 0.90 0.03 1 1003 . 103 LEU CA C 58.03 0.50 1 1004 . 103 LEU CB C 41.59 0.50 1 1005 . 103 LEU CG C 27.35 0.50 1 1006 . 103 LEU CD1 C 26.12 0.50 1 1007 . 103 LEU CD2 C 26.12 0.50 1 1008 . 103 LEU N N 118.13 0.25 1 1009 . 104 THR H H 8.10 0.03 1 1010 . 104 THR HA H 4.25 0.03 1 1011 . 104 THR HB H 4.25 0.03 1 1012 . 104 THR HG2 H 1.24 0.03 1 1013 . 104 THR CA C 65.17 0.50 1 1014 . 104 THR CB C 69.10 0.50 1 1015 . 104 THR CG2 C 21.24 0.50 1 1016 . 104 THR N N 112.59 0.25 1 1017 . 105 SER H H 7.93 0.03 1 1018 . 105 SER HA H 4.26 0.03 1 1019 . 105 SER HB2 H 3.83 0.03 2 1020 . 105 SER HB3 H 3.70 0.03 2 1021 . 105 SER CA C 60.87 0.50 1 1022 . 105 SER CB C 63.08 0.50 1 1023 . 105 SER N N 118.55 0.25 1 1024 . 106 LEU H H 7.61 0.03 1 1025 . 106 LEU HA H 4.35 0.03 1 1026 . 106 LEU HB2 H 1.68 0.03 1 1027 . 106 LEU HB3 H 1.53 0.03 1 1028 . 106 LEU HG H 1.66 0.03 1 1029 . 106 LEU HD1 H 0.64 0.03 1 1030 . 106 LEU HD2 H 0.73 0.03 1 1031 . 106 LEU CA C 55.25 0.50 1 1032 . 106 LEU CB C 42.34 0.50 1 1033 . 106 LEU CG C 26.59 0.50 1 1034 . 106 LEU CD1 C 25.84 0.50 1 1035 . 106 LEU CD2 C 22.82 0.50 1 1036 . 106 LEU N N 120.70 0.25 1 1037 . 107 GLY H H 7.86 0.03 1 1038 . 107 GLY HA2 H 4.04 0.03 2 1039 . 107 GLY HA3 H 3.89 0.03 2 1040 . 107 GLY CA C 45.80 0.50 1 1041 . 107 GLY N N 106.59 0.25 1 1042 . 108 GLU H H 8.02 0.03 1 1043 . 108 GLU HA H 4.31 0.03 1 1044 . 108 GLU HB2 H 1.85 0.03 1 1045 . 108 GLU HB3 H 2.04 0.03 1 1046 . 108 GLU HG2 H 2.22 0.03 1 1047 . 108 GLU HG3 H 2.22 0.03 1 1048 . 108 GLU CA C 56.08 0.50 1 1049 . 108 GLU CB C 29.59 0.50 1 1050 . 108 GLU CG C 35.56 0.50 1 1051 . 108 GLU N N 120.27 0.25 1 1052 . 109 LYS H H 8.33 0.03 1 1053 . 109 LYS HA H 4.27 0.03 1 1054 . 109 LYS HB2 H 1.80 0.03 1 1055 . 109 LYS HB3 H 1.80 0.03 1 1056 . 109 LYS HG2 H 1.39 0.03 2 1057 . 109 LYS HG3 H 1.34 0.03 2 1058 . 109 LYS HD2 H 1.67 0.03 1 1059 . 109 LYS HD3 H 1.67 0.03 1 1060 . 109 LYS HE2 H 2.97 0.03 1 1061 . 109 LYS HE3 H 2.97 0.03 1 1062 . 109 LYS CA C 56.29 0.50 1 1063 . 109 LYS CB C 32.26 0.50 1 1064 . 109 LYS CG C 24.72 0.50 1 1065 . 109 LYS CD C 29.13 0.50 1 1066 . 109 LYS CE C 42.22 0.50 1 1067 . 109 LYS N N 121.55 0.25 1 1068 . 110 LEU H H 7.85 0.03 1 1069 . 110 LEU HA H 4.64 0.03 1 1070 . 110 LEU HB2 H 1.55 0.03 1 1071 . 110 LEU HB3 H 1.55 0.03 1 1072 . 110 LEU HG H 1.55 0.03 1 1073 . 110 LEU HD1 H 0.87 0.03 1 1074 . 110 LEU HD2 H 0.87 0.03 1 1075 . 110 LEU CA C 54.15 0.50 1 1076 . 110 LEU CB C 44.39 0.50 1 1077 . 110 LEU CG C 27.25 0.50 1 1078 . 110 LEU CD1 C 26.26 0.50 1 1079 . 110 LEU CD2 C 24.15 0.50 1 1080 . 110 LEU N N 122.70 0.25 1 1081 . 111 SER H H 9.14 0.03 1 1082 . 111 SER HA H 4.52 0.03 1 1083 . 111 SER HB2 H 4.40 0.03 1 1084 . 111 SER HB3 H 4.05 0.03 1 1085 . 111 SER CA C 57.14 0.50 1 1086 . 111 SER CB C 65.36 0.50 1 1087 . 111 SER N N 119.05 0.25 1 1088 . 112 ASN H H 9.08 0.03 1 1089 . 112 ASN HA H 4.33 0.03 1 1090 . 112 ASN HB2 H 2.85 0.03 2 1091 . 112 ASN HB3 H 2.76 0.03 2 1092 . 112 ASN HD21 H 6.96 0.03 2 1093 . 112 ASN HD22 H 7.71 0.03 2 1094 . 112 ASN CA C 56.78 0.50 1 1095 . 112 ASN CB C 37.82 0.50 1 1096 . 112 ASN N N 120.27 0.25 1 1097 . 112 ASN ND2 N 112.73 0.25 1 1098 . 113 GLU H H 8.78 0.03 1 1099 . 113 GLU HA H 4.11 0.03 1 1100 . 113 GLU HB2 H 2.00 0.03 1 1101 . 113 GLU HB3 H 2.00 0.03 1 1102 . 113 GLU HG2 H 2.44 0.03 2 1103 . 113 GLU HG3 H 2.33 0.03 2 1104 . 113 GLU CA C 60.14 0.50 1 1105 . 113 GLU CB C 29.11 0.50 1 1106 . 113 GLU CG C 37.10 0.50 1 1107 . 113 GLU N N 118.98 0.25 1 1108 . 114 GLU H H 7.88 0.03 1 1109 . 114 GLU HA H 4.04 0.03 1 1110 . 114 GLU HB2 H 2.28 0.03 1 1111 . 114 GLU HB3 H 2.28 0.03 1 1112 . 114 GLU CA C 58.88 0.50 1 1113 . 114 GLU CB C 30.38 0.50 1 1114 . 114 GLU CG C 37.31 0.50 1 1115 . 114 GLU N N 120.63 0.25 1 1116 . 115 MET H H 8.42 0.03 1 1117 . 115 MET HA H 4.18 0.03 1 1118 . 115 MET HB2 H 2.50 0.03 1 1119 . 115 MET HB3 H 2.50 0.03 1 1120 . 115 MET HG2 H 2.12 0.03 1 1121 . 115 MET HG3 H 2.12 0.03 1 1122 . 115 MET CA C 58.50 0.50 1 1123 . 115 MET CB C 32.18 0.50 1 1124 . 115 MET N N 120.20 0.25 1 1125 . 116 ASP H H 8.23 0.03 1 1126 . 116 ASP HA H 4.31 0.03 1 1127 . 116 ASP HB2 H 2.83 0.03 1 1128 . 116 ASP HB3 H 2.60 0.03 1 1129 . 116 ASP CA C 57.44 0.50 1 1130 . 116 ASP CB C 40.17 0.50 1 1131 . 116 ASP N N 118.55 0.25 1 1132 . 117 GLU H H 7.60 0.03 1 1133 . 117 GLU HA H 4.04 0.03 1 1134 . 117 GLU HB2 H 2.12 0.03 1 1135 . 117 GLU HB3 H 2.12 0.03 1 1136 . 117 GLU HG2 H 2.34 0.03 1 1137 . 117 GLU HG3 H 2.34 0.03 1 1138 . 117 GLU CA C 58.84 0.50 1 1139 . 117 GLU CB C 29.45 0.50 1 1140 . 117 GLU CG C 35.64 0.50 1 1141 . 117 GLU N N 118.56 0.25 1 1142 . 118 LEU H H 7.97 0.03 1 1143 . 118 LEU HA H 4.10 0.03 1 1144 . 118 LEU HB2 H 1.62 0.03 1 1145 . 118 LEU HB3 H 1.94 0.03 1 1146 . 118 LEU HG H 1.78 0.03 1 1147 . 118 LEU HD1 H 0.88 0.03 1 1148 . 118 LEU HD2 H 0.85 0.03 1 1149 . 118 LEU CA C 57.72 0.50 1 1150 . 118 LEU CB C 42.53 0.50 1 1151 . 118 LEU CG C 27.01 0.50 1 1152 . 118 LEU CD1 C 25.49 0.50 1 1153 . 118 LEU CD2 C 24.07 0.50 1 1154 . 118 LEU N N 121.06 0.25 1 1155 . 119 LEU H H 8.00 0.03 1 1156 . 119 LEU HA H 4.14 0.03 1 1157 . 119 LEU HB2 H 1.82 0.03 1 1158 . 119 LEU HB3 H 1.57 0.03 1 1159 . 119 LEU HG H 1.68 0.03 1 1160 . 119 LEU HD1 H 0.79 0.03 1 1161 . 119 LEU HD2 H 0.70 0.03 1 1162 . 119 LEU CA C 56.10 0.50 1 1163 . 119 LEU CB C 41.74 0.50 1 1164 . 119 LEU CG C 27.28 0.50 1 1165 . 119 LEU CD1 C 25.66 0.50 1 1166 . 119 LEU CD2 C 23.21 0.50 1 1167 . 119 LEU N N 115.99 0.25 1 1168 . 120 LYS H H 7.41 0.03 1 1169 . 120 LYS HA H 4.11 0.03 1 1170 . 120 LYS HB2 H 1.90 0.03 1 1171 . 120 LYS HB3 H 1.90 0.03 1 1172 . 120 LYS HG2 H 1.48 0.03 1 1173 . 120 LYS HG3 H 1.48 0.03 1 1174 . 120 LYS HD2 H 1.69 0.03 1 1175 . 120 LYS HD3 H 1.69 0.03 1 1176 . 120 LYS CA C 58.79 0.50 1 1177 . 120 LYS CB C 32.38 0.50 1 1178 . 120 LYS CG C 25.27 0.50 1 1179 . 120 LYS N N 118.98 0.25 1 1180 . 121 GLY H H 8.08 0.03 1 1181 . 121 GLY HA2 H 4.17 0.03 2 1182 . 121 GLY HA3 H 3.86 0.03 2 1183 . 121 GLY CA C 45.13 0.50 1 1184 . 121 GLY N N 106.59 0.25 1 1185 . 122 VAL H H 7.48 0.03 1 1186 . 122 VAL HA H 4.56 0.03 1 1187 . 122 VAL HB H 2.19 0.03 1 1188 . 122 VAL HG1 H 0.99 0.03 1 1189 . 122 VAL HG2 H 1.04 0.03 1 1190 . 122 VAL CA C 58.91 0.50 1 1191 . 122 VAL CB C 33.47 0.50 1 1192 . 122 VAL CG1 C 21.41 0.50 1 1193 . 122 VAL CG2 C 21.71 0.50 1 1194 . 122 VAL N N 120.27 0.25 1 1195 . 123 PRO HA H 4.46 0.03 1 1196 . 123 PRO HB2 H 2.19 0.03 2 1197 . 123 PRO HB3 H 1.94 0.03 2 1198 . 123 PRO HG2 H 2.00 0.03 1 1199 . 123 PRO HG3 H 2.00 0.03 1 1200 . 123 PRO HD2 H 3.95 0.03 2 1201 . 123 PRO HD3 H 3.65 0.03 2 1202 . 123 PRO CA C 63.08 0.50 1 1203 . 123 PRO CB C 31.68 0.50 1 1204 . 123 PRO CG C 27.70 0.50 1 1205 . 123 PRO CD C 51.15 0.50 1 1206 . 124 VAL H H 8.18 0.03 1 1207 . 124 VAL HA H 4.45 0.03 1 1208 . 124 VAL HB H 1.89 0.03 1 1209 . 124 VAL HG1 H 0.87 0.03 1 1210 . 124 VAL HG2 H 0.79 0.03 1 1211 . 124 VAL CA C 61.18 0.50 1 1212 . 124 VAL CB C 33.64 0.50 1 1213 . 124 VAL CG1 C 20.50 0.50 1 1214 . 124 VAL CG2 C 21.09 0.50 1 1215 . 124 VAL N N 124.05 0.25 1 1216 . 125 LYS H H 8.75 0.03 1 1217 . 125 LYS HA H 4.62 0.03 1 1218 . 125 LYS HB2 H 1.65 0.03 2 1219 . 125 LYS HB3 H 1.74 0.03 2 1220 . 125 LYS HG2 H 1.36 0.03 2 1221 . 125 LYS HG3 H 1.31 0.03 2 1222 . 125 LYS HD2 H 1.91 0.03 1 1223 . 125 LYS HD3 H 1.91 0.03 1 1224 . 125 LYS HE2 H 2.99 0.03 1 1225 . 125 LYS HE3 H 2.99 0.03 1 1226 . 125 LYS CA C 55.06 0.50 1 1227 . 125 LYS CB C 34.13 0.50 1 1228 . 125 LYS CG C 24.55 0.50 1 1229 . 125 LYS CD C 29.06 0.50 1 1230 . 125 LYS CE C 42.29 0.50 1 1231 . 125 LYS N N 127.96 0.25 1 1232 . 126 ASP H H 9.38 0.03 1 1233 . 126 ASP HA H 4.30 0.03 1 1234 . 126 ASP HB2 H 2.90 0.03 2 1235 . 126 ASP HB3 H 2.64 0.03 2 1236 . 126 ASP CA C 55.38 0.50 1 1237 . 126 ASP CB C 39.84 0.50 1 1238 . 126 ASP N N 127.96 0.25 1 1239 . 127 GLY H H 8.26 0.03 1 1240 . 127 GLY HA2 H 4.12 0.03 2 1241 . 127 GLY HA3 H 3.58 0.03 2 1242 . 127 GLY CA C 45.66 0.50 1 1243 . 127 GLY N N 102.30 0.25 1 1244 . 128 MET H H 7.86 0.03 1 1245 . 128 MET HA H 5.31 0.03 1 1246 . 128 MET HB2 H 2.65 0.03 1 1247 . 128 MET HB3 H 2.37 0.03 1 1248 . 128 MET HG2 H 2.17 0.03 2 1249 . 128 MET HG3 H 1.81 0.03 2 1250 . 128 MET CA C 53.58 0.50 1 1251 . 128 MET CB C 31.84 0.50 1 1252 . 128 MET N N 119.03 0.25 1 1253 . 129 VAL H H 9.26 0.03 1 1254 . 129 VAL HA H 4.54 0.03 1 1255 . 129 VAL HB H 1.81 0.03 1 1256 . 129 VAL HG1 H 0.74 0.03 1 1257 . 129 VAL HG2 H 0.74 0.03 1 1258 . 129 VAL CA C 59.32 0.50 1 1259 . 129 VAL CB C 35.84 0.50 1 1260 . 129 VAL CG1 C 21.32 0.50 1 1261 . 129 VAL CG2 C 21.32 0.50 1 1262 . 129 VAL N N 117.70 0.25 1 1263 . 130 ASN H H 8.95 0.03 1 1264 . 130 ASN HA H 5.27 0.03 1 1265 . 130 ASN HB2 H 2.58 0.03 1 1266 . 130 ASN HB3 H 3.00 0.03 1 1267 . 130 ASN HD21 H 6.92 0.03 2 1268 . 130 ASN HD22 H 7.32 0.03 2 1269 . 130 ASN CA C 52.97 0.50 1 1270 . 130 ASN CB C 38.78 0.50 1 1271 . 130 ASN N N 124.12 0.25 1 1272 . 130 ASN ND2 N 112.57 0.25 1 1273 . 131 TYR H H 8.22 0.03 1 1274 . 131 TYR HA H 4.73 0.03 1 1275 . 131 TYR HB2 H 3.94 0.03 2 1276 . 131 TYR HB3 H 3.75 0.03 2 1277 . 131 TYR HD1 H 6.62 0.03 1 1278 . 131 TYR HD2 H 6.62 0.03 1 1279 . 131 TYR HE1 H 6.61 0.03 1 1280 . 131 TYR HE2 H 6.61 0.03 1 1281 . 131 TYR CA C 59.93 0.50 1 1282 . 131 TYR CB C 37.28 0.50 1 1283 . 131 TYR CD1 C 133.42 0.50 1 1284 . 131 TYR CD2 C 133.42 0.50 1 1285 . 131 TYR CE1 C 117.64 0.50 1 1286 . 131 TYR CE2 C 117.64 0.50 1 1287 . 131 TYR N N 125.40 0.25 1 1288 . 132 HIS H H 8.20 0.03 1 1289 . 132 HIS HA H 4.25 0.03 1 1290 . 132 HIS HB2 H 3.29 0.03 2 1291 . 132 HIS HB3 H 3.21 0.03 2 1292 . 132 HIS HD2 H 7.10 0.03 1 1293 . 132 HIS HE1 H 8.32 0.03 1 1294 . 132 HIS CA C 59.72 0.50 1 1295 . 132 HIS CB C 28.20 0.50 1 1296 . 132 HIS CD2 C 120.09 0.50 1 1297 . 132 HIS CE1 C 137.32 0.50 1 1298 . 132 HIS N N 122.40 0.25 1 1299 . 132 HIS ND1 N 196.00 0.25 1 1300 . 132 HIS NE2 N 177.00 0.25 1 1301 . 133 ASP H H 8.20 0.03 1 1302 . 133 ASP HA H 4.33 0.03 1 1303 . 133 ASP HB2 H 2.73 0.03 1 1304 . 133 ASP HB3 H 2.73 0.03 1 1305 . 133 ASP CA C 56.87 0.50 1 1306 . 133 ASP CB C 39.74 0.50 1 1307 . 133 ASP N N 120.28 0.25 1 1308 . 134 PHE H H 7.95 0.03 1 1309 . 134 PHE HA H 4.12 0.03 1 1310 . 134 PHE HB2 H 3.07 0.03 2 1311 . 134 PHE HB3 H 3.00 0.03 2 1312 . 134 PHE HD1 H 7.00 0.03 1 1313 . 134 PHE HD2 H 7.00 0.03 1 1314 . 134 PHE HE1 H 7.20 0.03 1 1315 . 134 PHE HE2 H 7.20 0.03 1 1316 . 134 PHE HZ H 7.27 0.03 1 1317 . 134 PHE CA C 61.59 0.50 1 1318 . 134 PHE CB C 39.66 0.50 1 1319 . 134 PHE CD1 C 130.76 0.50 1 1320 . 134 PHE CD2 C 130.76 0.50 1 1321 . 134 PHE CE1 C 130.72 0.50 1 1322 . 134 PHE CE2 C 130.72 0.50 1 1323 . 134 PHE CZ C 131.02 0.50 1 1324 . 134 PHE N N 120.27 0.25 1 1325 . 135 VAL H H 8.29 0.03 1 1326 . 135 VAL HA H 3.42 0.03 1 1327 . 135 VAL HB H 2.21 0.03 1 1328 . 135 VAL HG1 H 1.00 0.03 1 1329 . 135 VAL HG2 H 1.17 0.03 1 1330 . 135 VAL CA C 66.58 0.50 1 1331 . 135 VAL CB C 31.63 0.50 1 1332 . 135 VAL CG1 C 21.76 0.50 1 1333 . 135 VAL CG2 C 23.71 0.50 1 1334 . 135 VAL N N 118.06 0.25 1 1335 . 136 GLN H H 7.67 0.03 1 1336 . 136 GLN HA H 3.94 0.03 1 1337 . 136 GLN HB2 H 2.09 0.03 1 1338 . 136 GLN HB3 H 2.09 0.03 1 1339 . 136 GLN HG2 H 2.38 0.03 1 1340 . 136 GLN HG3 H 2.38 0.03 1 1341 . 136 GLN HE21 H 7.44 0.03 2 1342 . 136 GLN HE22 H 6.81 0.03 2 1343 . 136 GLN CA C 58.36 0.50 1 1344 . 136 GLN CB C 28.44 0.50 1 1345 . 136 GLN CG C 33.96 0.50 1 1346 . 136 GLN N N 116.77 0.25 1 1347 . 136 GLN NE2 N 111.51 0.25 1 1348 . 137 MET H H 7.61 0.03 1 1349 . 137 MET HA H 4.14 0.03 1 1350 . 137 MET HB2 H 2.61 0.03 1 1351 . 137 MET HB3 H 2.43 0.03 1 1352 . 137 MET HG2 H 2.04 0.03 1 1353 . 137 MET HG3 H 2.04 0.03 1 1354 . 137 MET CA C 58.00 0.50 1 1355 . 137 MET CB C 32.53 0.50 1 1356 . 137 MET CG C 31.95 0.50 1 1357 . 137 MET N N 116.85 0.25 1 1358 . 138 ILE H H 7.56 0.03 1 1359 . 138 ILE HA H 3.92 0.03 1 1360 . 138 ILE HB H 1.75 0.03 1 1361 . 138 ILE HG12 H 1.20 0.03 2 1362 . 138 ILE HG13 H 1.03 0.03 2 1363 . 138 ILE HD1 H 0.63 0.03 1 1364 . 138 ILE HG2 H 0.67 0.03 1 1365 . 138 ILE CA C 62.69 0.50 1 1366 . 138 ILE CB C 37.75 0.50 1 1367 . 138 ILE CG1 C 27.20 0.50 1 1368 . 138 ILE CD1 C 12.95 0.50 1 1369 . 138 ILE CG2 C 17.81 0.50 1 1370 . 138 ILE N N 116.47 0.25 1 1371 . 139 LEU H H 7.67 0.03 1 1372 . 139 LEU HA H 4.27 0.03 1 1373 . 139 LEU HB2 H 1.69 0.03 1 1374 . 139 LEU HB3 H 1.53 0.03 1 1375 . 139 LEU HG H 1.53 0.03 1 1376 . 139 LEU HD1 H 0.78 0.03 1 1377 . 139 LEU HD2 H 0.78 0.03 1 1378 . 139 LEU CA C 55.41 0.50 1 1379 . 139 LEU CB C 41.97 0.50 1 1380 . 139 LEU CG C 26.49 0.50 1 1381 . 139 LEU CD1 C 25.62 0.50 1 1382 . 139 LEU CD2 C 22.58 0.50 1 1383 . 139 LEU N N 119.84 0.25 1 1384 . 140 ALA H H 7.56 0.03 1 1385 . 140 ALA HA H 4.30 0.03 1 1386 . 140 ALA HB H 1.42 0.03 1 1387 . 140 ALA CA C 52.59 0.50 1 1388 . 140 ALA CB C 19.16 0.50 1 1389 . 140 ALA N N 122.41 0.25 1 1390 . 141 ASN H H 7.72 0.03 1 1391 . 141 ASN HA H 4.47 0.03 1 1392 . 141 ASN HB2 H 2.75 0.03 2 1393 . 141 ASN HB3 H 2.67 0.03 2 1394 . 141 ASN HD21 H 7.50 0.03 2 1395 . 141 ASN HD22 H 6.76 0.03 2 1396 . 141 ASN CA C 54.78 0.50 1 1397 . 141 ASN CB C 40.76 0.50 1 1398 . 141 ASN N N 123.26 0.25 1 1399 . 141 ASN ND2 N 112.20 0.25 1 stop_ save_