data_5223 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; SH3 domain of human Lck tyrosine kinase ; _BMRB_accession_number 5223 _BMRB_flat_file_name bmr5223.str _Entry_type original _Submission_date 2001-12-04 _Accession_date 2001-12-04 _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 Schweimer K. . . 2 Hoffmann S. . . 3 Bauer F. . . 4 Friedrich U. . . 5 Kardinal C. . . 6 Feller S. M. . 7 Biesinger B. . . 8 Sticht H. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 370 "13C chemical shifts" 178 "15N chemical shifts" 68 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2002-06-13 original author . stop_ _Original_release_date 2002-06-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural Investigation of the Binding of a Herpesviral Protein to the SH3 Domain of Tyrosine Kinase Lck ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 21952327 _PubMed_ID 11955060 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Schweimer K. . . 2 Hoffmann S. . . 3 Bauer F. . . 4 Friedrich U. . . 5 Kardinal C. . . 6 Feller S. M. . 7 Biesinger B. . . 8 Sticht H. . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 41 _Journal_issue 16 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5120 _Page_last 5130 _Year 2002 _Details . loop_ _Keyword 'SH3 domain' 'tyrosine kinase' 'signal transduction' Lck stop_ save_ ################################## # Molecular system description # ################################## save_system_LckSH3 _Saveframe_category molecular_system _Mol_system_name 'SH3 domain of the tyrosine-protein kinase Lck' _Abbreviation_common LckSH3 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label LckSH3 $LckSH3 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_LckSH3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'SH3 domain of the tyrosine-protein kinase Lck' _Abbreviation_common LckSH3 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 63 _Mol_residue_sequence ; GSPLQDNLVIALHSYEPSHD GDLGFEKGEQLRILEQSGEW WKAQSLTTGQEGFIPFNFVA KAN ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 PRO 4 LEU 5 GLN 6 ASP 7 ASN 8 LEU 9 VAL 10 ILE 11 ALA 12 LEU 13 HIS 14 SER 15 TYR 16 GLU 17 PRO 18 SER 19 HIS 20 ASP 21 GLY 22 ASP 23 LEU 24 GLY 25 PHE 26 GLU 27 LYS 28 GLY 29 GLU 30 GLN 31 LEU 32 ARG 33 ILE 34 LEU 35 GLU 36 GLN 37 SER 38 GLY 39 GLU 40 TRP 41 TRP 42 LYS 43 ALA 44 GLN 45 SER 46 LEU 47 THR 48 THR 49 GLY 50 GLN 51 GLU 52 GLY 53 PHE 54 ILE 55 PRO 56 PHE 57 ASN 58 PHE 59 VAL 60 ALA 61 LYS 62 ALA 63 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 4860 Lck 98.41 126 100.00 100.00 2.69e-36 BMRB 5794 LckSH32 100.00 169 98.41 98.41 4.12e-36 PDB 1H92 "Sh3 Domain Of Human Lck Tyrosine Kinase" 100.00 63 100.00 100.00 1.48e-37 PDB 1KIK "Sh3 Domain Of Lymphocyte Specific Kinase (Lck)" 88.89 57 100.00 100.00 4.35e-32 PDB 1LCK "Sh3-Sh2 Domain Fragment Of Human P56-Lck Tyrosine Kinase Complexed With The 10 Residue Synthetic Phosphotyrosyl Peptide Tegqpyq" 100.00 175 98.41 98.41 4.94e-36 PDB 1X27 "Crystal Structure Of Lck Sh2-Sh3 With Sh2 Binding Site Of P130cas" 90.48 167 100.00 100.00 3.62e-32 PDB 2IIM "Sh3 Domain Of Human Lck" 98.41 62 100.00 100.00 1.22e-36 PDB 4D8K "Crystal Structure Of A Sh3-Sh2 Domains Of A Lymphocyte-Specific Protein Tyrosine Kinase (Lck) From Homo Sapiens At 2.36 A Resol" 100.00 175 98.41 98.41 5.93e-36 DBJ BAC40086 "unnamed protein product [Mus musculus]" 100.00 509 98.41 98.41 4.10e-34 DBJ BAG64189 "unnamed protein product [Homo sapiens]" 100.00 536 98.41 98.41 7.20e-34 DBJ BAI45973 "lymphocyte-specific protein tyrosine kinase [synthetic construct]" 100.00 509 98.41 98.41 4.75e-34 EMBL CAA27234 "unnamed protein product [Mus musculus]" 100.00 509 98.41 98.41 4.10e-34 EMBL CAA28691 "unnamed protein product [Homo sapiens]" 100.00 507 98.41 98.41 3.06e-34 EMBL CAA32211 "unnamed protein product [Homo sapiens]" 100.00 509 98.41 98.41 4.75e-34 EMBL CAC44027 "lck protein [Hylobates sp.]" 100.00 509 98.41 98.41 4.44e-34 EMBL CAI23831 "proto-oncogene tyrosine-protein kinase LCK [Homo sapiens]" 92.06 516 100.00 100.00 2.44e-31 GB AAA18225 "lymphocyte-specific protein tyrosine kinase [Homo sapiens]" 100.00 512 98.41 98.41 4.58e-34 GB AAB59674 "lymphocyte-specific protein tyrosine kinase [Mus musculus]" 100.00 509 98.41 98.41 4.10e-34 GB AAC50287 "p56lck [Homo sapiens]" 100.00 363 98.41 98.41 1.96e-34 GB AAF34794 "tyrosine kinase LCK, partial [Homo sapiens]" 100.00 496 98.41 98.41 3.64e-34 GB AAH11474 "Lck protein [Mus musculus]" 100.00 509 98.41 98.41 4.10e-34 PRF 1203381A "kinase p56tck,protein Tyr" 100.00 509 98.41 98.41 4.10e-34 PRF 2201317A "protein Tyr kinase p56lck" 100.00 363 98.41 98.41 1.96e-34 REF NP_001036236 "tyrosine-protein kinase Lck [Homo sapiens]" 100.00 509 98.41 98.41 4.75e-34 REF NP_001094179 "proto-oncogene tyrosine-protein kinase LCK [Rattus norvegicus]" 100.00 509 98.41 98.41 3.98e-34 REF NP_001155904 "proto-oncogene tyrosine-protein kinase LCK isoform a [Mus musculus]" 100.00 520 98.41 98.41 4.11e-34 REF NP_001155905 "proto-oncogene tyrosine-protein kinase LCK isoform b [Mus musculus]" 100.00 509 98.41 98.41 4.10e-34 REF NP_005347 "tyrosine-protein kinase Lck [Homo sapiens]" 100.00 509 98.41 98.41 4.75e-34 SP P06239 "RecName: Full=Tyrosine-protein kinase Lck; AltName: Full=Leukocyte C-terminal Src kinase; Short=LSK; AltName: Full=Lymphocyte c" 100.00 509 98.41 98.41 4.75e-34 SP P06240 "RecName: Full=Proto-oncogene tyrosine-protein kinase LCK; AltName: Full=Leukocyte C-terminal Src kinase; Short=LSK; AltName: Fu" 100.00 509 98.41 98.41 4.10e-34 SP Q01621 "RecName: Full=Proto-oncogene tyrosine-protein kinase LCK; AltName: Full=Lymphocyte cell-specific protein-tyrosine kinase; AltNa" 100.00 509 98.41 98.41 3.98e-34 TPE CAD55807 "TPA: protein tyrosine kinase [Homo sapiens]" 100.00 509 98.41 98.41 4.75e-34 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Fraction $LckSH3 Human 9606 Eukaryota Metazoa Homo sapiens intracellular 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 $LckSH3 'recombinant technology' 'Escherichia coli' Escherichia coli BL21 . 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 $LckSH3 1.2 mM . stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . _Details . save_ save_NDEE _Saveframe_category software _Name NDEE _Version . _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-edited_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-edited NOESY' _Sample_label . save_ save_3D_13C-edited_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-edited NOESY' _Sample_label . save_ save_2D_15N-filtered_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N-filtered NOESY' _Sample_label . save_ save_3D_CT-HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CT-HNCO' _Sample_label . save_ save_3D_CT-HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CT-HNCA' _Sample_label . save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label . save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label . save_ save_3D_HNHA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label . save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label . save_ save_3D_C(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label . save_ save_3D_H(CCO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label . save_ save_1H-13C_CT-HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C CT-HSQC' _Sample_label . save_ save_3D_H(C)CH-COSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(C)CH-COSY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-edited NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-edited NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N-filtered NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CT-HNCO' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CT-HNCA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C CT-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(C)CH-COSY' _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 6.4 0.2 n/a temperature 298 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name LckSH3 _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 . 3 PRO HA H 4.461 0.02 . 2 . 3 PRO HB2 H 2.318 0.02 . 3 . 3 PRO HB3 H 1.913 0.02 . 4 . 3 PRO HG2 H 2.026 0.02 . 5 . 3 PRO HG3 H 2.026 0.02 . 6 . 3 PRO HD2 H 3.854 0.02 . 7 . 3 PRO HD3 H 3.749 0.02 . 8 . 3 PRO CA C 63.538 0.2 . 9 . 3 PRO CB C 32.091 0.2 . 10 . 3 PRO CG C 27.404 0.2 . 11 . 3 PRO CD C 50.845 0.2 . 12 . 4 LEU H H 8.237 0.02 . 13 . 4 LEU HA H 4.283 0.02 . 14 . 4 LEU HB2 H 1.623 0.02 . 15 . 4 LEU HB3 H 1.567 0.02 . 16 . 4 LEU HG H 1.627 0.02 . 17 . 4 LEU HD1 H 0.867 0.02 . 18 . 4 LEU HD2 H 0.911 0.02 . 19 . 4 LEU CA C 55.472 0.2 . 20 . 4 LEU CB C 42.166 0.2 . 21 . 4 LEU CG C 27.153 0.2 . 22 . 4 LEU CD1 C 23.519 0.2 . 23 . 4 LEU CD2 C 24.939 0.2 . 24 . 4 LEU N N 121.503 0.2 . 25 . 5 GLN H H 8.195 0.02 . 26 . 5 GLN HA H 4.330 0.02 . 27 . 5 GLN HB2 H 2.108 0.02 . 28 . 5 GLN HB3 H 1.981 0.02 . 29 . 5 GLN HG2 H 2.348 0.02 . 30 . 5 GLN HG3 H 2.348 0.02 . 31 . 5 GLN HE21 H 6.847 0.02 . 32 . 5 GLN HE22 H 7.530 0.02 . 33 . 5 GLN CA C 55.809 0.2 . 34 . 5 GLN CB C 29.707 0.2 . 35 . 5 GLN CG C 33.884 0.2 . 36 . 5 GLN N N 120.259 0.2 . 37 . 5 GLN NE2 N 112.394 0.2 . 38 . 6 ASP H H 8.290 0.02 . 39 . 6 ASP HA H 4.591 0.02 . 40 . 6 ASP HB2 H 2.631 0.02 . 41 . 6 ASP HB3 H 2.601 0.02 . 42 . 6 ASP CA C 54.413 0.2 . 43 . 6 ASP CB C 41.404 0.2 . 44 . 6 ASP N N 121.586 0.2 . 45 . 7 ASN H H 8.511 0.02 . 46 . 7 ASN HA H 4.719 0.02 . 47 . 7 ASN HB2 H 3.007 0.02 . 48 . 7 ASN HB3 H 2.906 0.02 . 49 . 7 ASN HD21 H 6.651 0.02 . 50 . 7 ASN HD22 H 7.347 0.02 . 51 . 7 ASN CA C 52.636 0.2 . 52 . 7 ASN CB C 38.085 0.2 . 53 . 7 ASN N N 119.504 0.2 . 54 . 7 ASN ND2 N 110.256 0.2 . 55 . 8 LEU H H 7.910 0.02 . 56 . 8 LEU HA H 5.222 0.02 . 57 . 8 LEU HB2 H 1.713 0.02 . 58 . 8 LEU HB3 H 1.429 0.02 . 59 . 8 LEU HG H 1.570 0.02 . 60 . 8 LEU HD1 H 0.810 0.02 . 61 . 8 LEU HD2 H 0.886 0.02 . 62 . 8 LEU CA C 54.266 0.2 . 63 . 8 LEU CB C 43.836 0.2 . 64 . 8 LEU CG C 27.126 0.2 . 65 . 8 LEU CD1 C 24.028 0.2 . 66 . 8 LEU CD2 C 25.203 0.2 . 67 . 8 LEU N N 121.456 0.2 . 68 . 9 VAL H H 9.068 0.02 . 69 . 9 VAL HA H 4.982 0.02 . 70 . 9 VAL HB H 2.059 0.02 . 71 . 9 VAL HG1 H 0.630 0.02 . 72 . 9 VAL HG2 H 0.824 0.02 . 73 . 9 VAL CA C 58.800 0.2 . 74 . 9 VAL CB C 36.395 0.2 . 75 . 9 VAL CG1 C 19.350 0.2 . 76 . 9 VAL CG2 C 21.714 0.2 . 77 . 9 VAL N N 116.093 0.2 . 78 . 10 ILE H H 8.978 0.02 . 79 . 10 ILE HA H 4.939 0.02 . 80 . 10 ILE HB H 1.594 0.02 . 81 . 10 ILE HG12 H 1.379 0.02 . 82 . 10 ILE HG13 H 1.070 0.02 . 83 . 10 ILE HG2 H 0.805 0.02 . 84 . 10 ILE HD1 H 0.835 0.02 . 85 . 10 ILE CA C 58.319 0.2 . 86 . 10 ILE CB C 41.439 0.2 . 87 . 10 ILE CG1 C 28.179 0.2 . 88 . 10 ILE CG2 C 17.040 0.2 . 89 . 10 ILE CD1 C 13.303 0.2 . 90 . 10 ILE N N 118.484 0.2 . 91 . 11 ALA H H 8.565 0.02 . 92 . 11 ALA HA H 4.564 0.02 . 93 . 11 ALA HB H 1.710 0.02 . 94 . 11 ALA CA C 52.561 0.2 . 95 . 11 ALA CB C 21.047 0.2 . 96 . 11 ALA N N 126.352 0.2 . 97 . 12 LEU H H 9.459 0.02 . 98 . 12 LEU HA H 4.055 0.02 . 99 . 12 LEU HB2 H 1.246 0.02 . 100 . 12 LEU HB3 H 1.077 0.02 . 101 . 12 LEU HG H 1.380 0.02 . 102 . 12 LEU HD1 H 0.686 0.02 . 103 . 12 LEU HD2 H 0.711 0.02 . 104 . 12 LEU CA C 55.647 0.2 . 105 . 12 LEU CB C 43.301 0.2 . 106 . 12 LEU CG C 26.841 0.2 . 107 . 12 LEU CD1 C 25.341 0.2 . 108 . 12 LEU CD2 C 22.254 0.2 . 109 . 12 LEU N N 126.801 0.2 . 110 . 13 HIS H H 7.485 0.02 . 111 . 13 HIS HA H 4.687 0.02 . 112 . 13 HIS HB2 H 3.059 0.02 . 113 . 13 HIS HB3 H 2.473 0.02 . 114 . 13 HIS HD2 H 6.342 0.02 . 115 . 13 HIS HE1 H 8.142 0.02 . 116 . 13 HIS CA C 53.212 0.2 . 117 . 13 HIS CB C 34.095 0.2 . 118 . 13 HIS N N 112.361 0.2 . 119 . 14 SER H H 8.857 0.02 . 120 . 14 SER HA H 4.684 0.02 . 121 . 14 SER HB2 H 4.125 0.02 . 122 . 14 SER HB3 H 3.958 0.02 . 123 . 14 SER CA C 58.574 0.2 . 124 . 14 SER CB C 63.957 0.2 . 125 . 14 SER N N 115.994 0.2 . 126 . 15 TYR H H 8.483 0.02 . 127 . 15 TYR HA H 4.669 0.02 . 128 . 15 TYR HB2 H 2.306 0.02 . 129 . 15 TYR HB3 H 1.079 0.02 . 130 . 15 TYR HD1 H 7.053 0.02 . 131 . 15 TYR HD2 H 7.053 0.02 . 132 . 15 TYR HE1 H 6.725 0.02 . 133 . 15 TYR HE2 H 6.725 0.02 . 134 . 15 TYR CA C 57.462 0.2 . 135 . 15 TYR CB C 42.328 0.2 . 136 . 15 TYR N N 123.066 0.2 . 137 . 16 GLU H H 7.652 0.02 . 138 . 16 GLU HA H 4.541 0.02 . 139 . 16 GLU HB2 H 1.731 0.02 . 140 . 16 GLU HB3 H 1.653 0.02 . 141 . 16 GLU HG2 H 2.069 0.02 . 142 . 16 GLU HG3 H 2.069 0.02 . 143 . 16 GLU CA C 51.861 0.2 . 144 . 16 GLU CB C 30.258 0.2 . 145 . 16 GLU CG C 35.782 0.2 . 146 . 16 GLU N N 129.241 0.2 . 147 . 17 PRO HA H 4.018 0.02 . 148 . 17 PRO HB2 H 2.016 0.02 . 149 . 17 PRO HB3 H 2.016 0.02 . 150 . 17 PRO HG2 H 2.069 0.02 . 151 . 17 PRO HG3 H 1.824 0.02 . 152 . 17 PRO HD2 H 3.593 0.02 . 153 . 17 PRO HD3 H 3.543 0.02 . 154 . 17 PRO CA C 63.351 0.2 . 155 . 17 PRO CB C 33.141 0.2 . 156 . 17 PRO CG C 27.298 0.2 . 157 . 17 PRO CD C 50.515 0.2 . 158 . 18 SER H H 8.657 0.02 . 159 . 18 SER HA H 4.427 0.02 . 160 . 18 SER HB2 H 3.710 0.02 . 161 . 18 SER HB3 H 3.613 0.02 . 162 . 18 SER CA C 58.615 0.2 . 163 . 18 SER CB C 64.651 0.2 . 164 . 18 SER N N 116.592 0.2 . 165 . 19 HIS H H 7.822 0.02 . 166 . 19 HIS HA H 4.774 0.02 . 167 . 19 HIS HB2 H 3.184 0.02 . 168 . 19 HIS HB3 H 2.881 0.02 . 169 . 19 HIS HD2 H 7.159 0.02 . 170 . 19 HIS HE1 H 8.196 0.02 . 171 . 19 HIS CA C 53.894 0.2 . 172 . 19 HIS CB C 30.530 0.2 . 173 . 19 HIS N N 118.692 0.2 . 174 . 20 ASP H H 8.780 0.02 . 175 . 20 ASP HA H 4.446 0.02 . 176 . 20 ASP HB2 H 2.628 0.02 . 177 . 20 ASP HB3 H 2.628 0.02 . 178 . 20 ASP CA C 56.412 0.2 . 179 . 20 ASP CB C 40.510 0.2 . 180 . 20 ASP N N 123.726 0.2 . 181 . 21 GLY H H 8.900 0.02 . 182 . 21 GLY HA2 H 4.391 0.02 . 183 . 21 GLY HA3 H 3.987 0.02 . 184 . 21 GLY CA C 45.292 0.2 . 185 . 21 GLY N N 112.544 0.2 . 186 . 22 ASP H H 7.868 0.02 . 187 . 22 ASP HA H 5.363 0.02 . 188 . 22 ASP HB2 H 3.013 0.02 . 189 . 22 ASP HB3 H 2.946 0.02 . 190 . 22 ASP CA C 54.447 0.2 . 191 . 22 ASP CB C 42.966 0.2 . 192 . 22 ASP N N 121.638 0.2 . 193 . 23 LEU H H 9.110 0.02 . 194 . 23 LEU HA H 4.560 0.02 . 195 . 23 LEU HB2 H 1.796 0.02 . 196 . 23 LEU HB3 H 0.773 0.02 . 197 . 23 LEU HG H 1.780 0.02 . 198 . 23 LEU HD1 H 0.691 0.02 . 199 . 23 LEU HD2 H 0.840 0.02 . 200 . 23 LEU CA C 53.974 0.2 . 201 . 23 LEU CB C 44.608 0.2 . 202 . 23 LEU CG C 26.630 0.2 . 203 . 23 LEU CD1 C 26.462 0.2 . 204 . 23 LEU CD2 C 24.339 0.2 . 205 . 23 LEU N N 125.600 0.2 . 206 . 24 GLY H H 8.189 0.02 . 207 . 24 GLY HA2 H 4.394 0.02 . 208 . 24 GLY HA3 H 3.605 0.02 . 209 . 24 GLY CA C 44.655 0.2 . 210 . 24 GLY N N 109.513 0.2 . 211 . 25 PHE H H 7.912 0.02 . 212 . 25 PHE HA H 5.064 0.02 . 213 . 25 PHE HB2 H 3.314 0.02 . 214 . 25 PHE HB3 H 2.940 0.02 . 215 . 25 PHE HD1 H 6.988 0.02 . 216 . 25 PHE HD2 H 6.988 0.02 . 217 . 25 PHE HE1 H 7.479 0.02 . 218 . 25 PHE HE2 H 7.479 0.02 . 219 . 25 PHE HZ H 6.809 0.02 . 220 . 25 PHE CA C 56.205 0.2 . 221 . 25 PHE CB C 40.233 0.2 . 222 . 25 PHE N N 113.749 0.2 . 223 . 26 GLU H H 9.011 0.02 . 224 . 26 GLU HA H 4.809 0.02 . 225 . 26 GLU HB2 H 2.150 0.02 . 226 . 26 GLU HB3 H 1.974 0.02 . 227 . 26 GLU HG2 H 2.402 0.02 . 228 . 26 GLU HG3 H 2.269 0.02 . 229 . 26 GLU CA C 53.814 0.2 . 230 . 26 GLU CB C 32.807 0.2 . 231 . 26 GLU CG C 36.382 0.2 . 232 . 26 GLU N N 119.846 0.2 . 233 . 27 LYS H H 8.365 0.02 . 234 . 27 LYS HA H 3.400 0.02 . 235 . 27 LYS HB2 H 1.710 0.02 . 236 . 27 LYS HB3 H 1.710 0.02 . 237 . 27 LYS HG2 H 1.211 0.02 . 238 . 27 LYS HG3 H 1.097 0.02 . 239 . 27 LYS HD2 H 1.728 0.02 . 240 . 27 LYS HD3 H 1.690 0.02 . 241 . 27 LYS HE2 H 2.992 0.02 . 242 . 27 LYS HE3 H 2.992 0.02 . 243 . 27 LYS CA C 59.099 0.2 . 244 . 27 LYS CB C 32.643 0.2 . 245 . 27 LYS CG C 24.734 0.2 . 246 . 27 LYS CD C 29.807 0.2 . 247 . 27 LYS CE C 42.032 0.2 . 248 . 27 LYS N N 122.369 0.2 . 249 . 28 GLY H H 8.848 0.02 . 250 . 28 GLY HA2 H 4.398 0.02 . 251 . 28 GLY HA3 H 3.527 0.02 . 252 . 28 GLY CA C 45.076 0.2 . 253 . 28 GLY N N 115.338 0.2 . 254 . 29 GLU H H 8.156 0.02 . 255 . 29 GLU HA H 4.221 0.02 . 256 . 29 GLU HB2 H 2.420 0.02 . 257 . 29 GLU HB3 H 2.150 0.02 . 258 . 29 GLU HG2 H 2.525 0.02 . 259 . 29 GLU HG3 H 2.402 0.02 . 260 . 29 GLU CA C 57.861 0.2 . 261 . 29 GLU CB C 32.000 0.2 . 262 . 29 GLU CG C 37.057 0.2 . 263 . 29 GLU N N 122.779 0.2 . 264 . 30 GLN H H 8.435 0.02 . 265 . 30 GLN HA H 5.269 0.02 . 266 . 30 GLN HB2 H 2.040 0.02 . 267 . 30 GLN HB3 H 2.040 0.02 . 268 . 30 GLN HG2 H 2.500 0.02 . 269 . 30 GLN HG3 H 2.137 0.02 . 270 . 30 GLN HE21 H 6.744 0.02 . 271 . 30 GLN HE22 H 7.148 0.02 . 272 . 30 GLN CA C 55.084 0.2 . 273 . 30 GLN CB C 30.867 0.2 . 274 . 30 GLN CG C 34.992 0.2 . 275 . 30 GLN N N 121.824 0.2 . 276 . 30 GLN NE2 N 110.437 0.2 . 277 . 31 LEU H H 8.800 0.02 . 278 . 31 LEU HA H 5.067 0.02 . 279 . 31 LEU HB2 H 1.203 0.02 . 280 . 31 LEU HB3 H 1.134 0.02 . 281 . 31 LEU HG H 1.372 0.02 . 282 . 31 LEU HD1 H 0.078 0.02 . 283 . 31 LEU HD2 H 0.672 0.02 . 284 . 31 LEU CA C 53.459 0.2 . 285 . 31 LEU CB C 45.939 0.2 . 286 . 31 LEU CG C 27.187 0.2 . 287 . 31 LEU CD1 C 25.815 0.2 . 288 . 31 LEU CD2 C 25.014 0.2 . 289 . 31 LEU N N 122.470 0.2 . 290 . 32 ARG H H 8.768 0.02 . 291 . 32 ARG HA H 5.030 0.02 . 292 . 32 ARG HB2 H 1.713 0.02 . 293 . 32 ARG HB3 H 1.647 0.02 . 294 . 32 ARG HG2 H 1.502 0.02 . 295 . 32 ARG HG3 H 1.326 0.02 . 296 . 32 ARG HD2 H 3.200 0.02 . 297 . 32 ARG HD3 H 3.164 0.02 . 298 . 32 ARG CA C 54.191 0.2 . 299 . 32 ARG CB C 32.889 0.2 . 300 . 32 ARG CG C 28.119 0.2 . 301 . 32 ARG CD C 43.278 0.2 . 302 . 32 ARG N N 120.208 0.2 . 303 . 33 ILE H H 8.970 0.02 . 304 . 33 ILE HA H 4.291 0.02 . 305 . 33 ILE HB H 2.006 0.02 . 306 . 33 ILE HG12 H 1.605 0.02 . 307 . 33 ILE HG13 H 1.311 0.02 . 308 . 33 ILE HG2 H 0.593 0.02 . 309 . 33 ILE HD1 H 0.778 0.02 . 310 . 33 ILE CA C 58.951 0.2 . 311 . 33 ILE CB C 35.650 0.2 . 312 . 33 ILE CG1 C 26.846 0.2 . 313 . 33 ILE CG2 C 18.558 0.2 . 314 . 33 ILE CD1 C 10.531 0.2 . 315 . 33 ILE N N 124.846 0.2 . 316 . 34 LEU H H 9.250 0.02 . 317 . 34 LEU HA H 4.380 0.02 . 318 . 34 LEU HB2 H 1.607 0.02 . 319 . 34 LEU HB3 H 1.281 0.02 . 320 . 34 LEU HG H 1.502 0.02 . 321 . 34 LEU HD1 H 0.709 0.02 . 322 . 34 LEU HD2 H 0.729 0.02 . 323 . 34 LEU CA C 55.589 0.2 . 324 . 34 LEU CB C 43.019 0.2 . 325 . 34 LEU CG C 27.423 0.2 . 326 . 34 LEU CD1 C 21.943 0.2 . 327 . 34 LEU CD2 C 25.484 0.2 . 328 . 34 LEU N N 128.521 0.2 . 329 . 35 GLU H H 7.697 0.02 . 330 . 35 GLU HA H 4.344 0.02 . 331 . 35 GLU HB2 H 2.082 0.02 . 332 . 35 GLU HB3 H 1.950 0.02 . 333 . 35 GLU HG2 H 2.269 0.02 . 334 . 35 GLU HG3 H 2.179 0.02 . 335 . 35 GLU CA C 56.389 0.2 . 336 . 35 GLU CB C 33.529 0.2 . 337 . 35 GLU CG C 36.395 0.2 . 338 . 35 GLU N N 117.631 0.2 . 339 . 36 GLN H H 8.602 0.02 . 340 . 36 GLN HA H 3.633 0.02 . 341 . 36 GLN HB2 H 1.193 0.02 . 342 . 36 GLN HB3 H 1.016 0.02 . 343 . 36 GLN HG2 H 1.014 0.02 . 344 . 36 GLN HG3 H 0.840 0.02 . 345 . 36 GLN HE21 H 5.946 0.02 . 346 . 36 GLN HE22 H 6.544 0.02 . 347 . 36 GLN CA C 53.593 0.2 . 348 . 36 GLN CB C 28.902 0.2 . 349 . 36 GLN CG C 33.392 0.2 . 350 . 36 GLN N N 124.872 0.2 . 351 . 36 GLN NE2 N 110.514 0.2 . 352 . 37 SER H H 8.157 0.02 . 353 . 37 SER HA H 4.630 0.02 . 354 . 37 SER HB2 H 3.882 0.02 . 355 . 37 SER HB3 H 3.882 0.02 . 356 . 37 SER CA C 56.982 0.2 . 357 . 37 SER CB C 63.864 0.2 . 358 . 37 SER N N 118.125 0.2 . 359 . 38 GLY H H 8.523 0.02 . 360 . 38 GLY HA2 H 4.112 0.02 . 361 . 38 GLY HA3 H 3.802 0.02 . 362 . 38 GLY CA C 46.036 0.2 . 363 . 38 GLY N N 112.228 0.2 . 364 . 39 GLU H H 8.660 0.02 . 365 . 39 GLU HA H 3.831 0.02 . 366 . 39 GLU HB2 H 1.884 0.02 . 367 . 39 GLU HB3 H 1.750 0.02 . 368 . 39 GLU HG2 H 2.000 0.02 . 369 . 39 GLU HG3 H 1.779 0.02 . 370 . 39 GLU CA C 56.792 0.2 . 371 . 39 GLU CB C 30.187 0.2 . 372 . 39 GLU CG C 36.717 0.2 . 373 . 39 GLU N N 120.836 0.2 . 374 . 40 TRP H H 7.777 0.02 . 375 . 40 TRP HA H 5.269 0.02 . 376 . 40 TRP HB2 H 2.990 0.02 . 377 . 40 TRP HB3 H 2.990 0.02 . 378 . 40 TRP HD1 H 7.107 0.02 . 379 . 40 TRP HE1 H 9.995 0.02 . 380 . 40 TRP HE3 H 7.169 0.02 . 381 . 40 TRP HZ2 H 7.414 0.02 . 382 . 40 TRP HZ3 H 6.766 0.02 . 383 . 40 TRP HH2 H 7.267 0.02 . 384 . 40 TRP CA C 55.499 0.2 . 385 . 40 TRP CB C 30.180 0.2 . 386 . 40 TRP N N 120.894 0.2 . 387 . 40 TRP NE1 N 128.906 0.2 . 388 . 41 TRP H H 9.045 0.02 . 389 . 41 TRP HA H 5.481 0.02 . 390 . 41 TRP HB2 H 3.370 0.02 . 391 . 41 TRP HB3 H 3.011 0.02 . 392 . 41 TRP HD1 H 6.908 0.02 . 393 . 41 TRP HE1 H 9.540 0.02 . 394 . 41 TRP HE3 H 7.232 0.02 . 395 . 41 TRP HZ2 H 7.442 0.02 . 396 . 41 TRP HZ3 H 6.886 0.02 . 397 . 41 TRP CA C 54.139 0.2 . 398 . 41 TRP CB C 30.995 0.2 . 399 . 41 TRP N N 125.743 0.2 . 400 . 41 TRP NE1 N 128.546 0.2 . 401 . 42 LYS H H 8.748 0.02 . 402 . 42 LYS HA H 4.475 0.02 . 403 . 42 LYS HB2 H 1.706 0.02 . 404 . 42 LYS HB3 H 1.614 0.02 . 405 . 42 LYS HG2 H 1.138 0.02 . 406 . 42 LYS HG3 H 0.793 0.02 . 407 . 42 LYS HD2 H 1.400 0.02 . 408 . 42 LYS HD3 H 1.400 0.02 . 409 . 42 LYS HE2 H 2.675 0.02 . 410 . 42 LYS HE3 H 2.613 0.02 . 411 . 42 LYS CA C 56.244 0.2 . 412 . 42 LYS CB C 34.017 0.2 . 413 . 42 LYS CG C 25.468 0.2 . 414 . 42 LYS CD C 28.927 0.2 . 415 . 42 LYS CE C 41.779 0.2 . 416 . 42 LYS N N 123.721 0.2 . 417 . 43 ALA H H 9.438 0.02 . 418 . 43 ALA HA H 5.491 0.02 . 419 . 43 ALA HB H 1.257 0.02 . 420 . 43 ALA CA C 50.473 0.2 . 421 . 43 ALA CB C 25.774 0.2 . 422 . 43 ALA N N 131.310 0.2 . 423 . 44 GLN H H 8.994 0.02 . 424 . 44 GLN HA H 5.317 0.02 . 425 . 44 GLN HB2 H 1.982 0.02 . 426 . 44 GLN HB3 H 1.761 0.02 . 427 . 44 GLN HG2 H 2.163 0.02 . 428 . 44 GLN HG3 H 2.041 0.02 . 429 . 44 GLN HE21 H 6.766 0.02 . 430 . 44 GLN HE22 H 7.716 0.02 . 431 . 44 GLN CA C 53.311 0.2 . 432 . 44 GLN CB C 33.843 0.2 . 433 . 44 GLN CG C 33.781 0.2 . 434 . 44 GLN N N 117.481 0.2 . 435 . 44 GLN NE2 N 112.020 0.2 . 436 . 45 SER H H 8.787 0.02 . 437 . 45 SER HA H 4.713 0.02 . 438 . 45 SER HB2 H 4.241 0.02 . 439 . 45 SER HB3 H 4.079 0.02 . 440 . 45 SER CA C 57.850 0.2 . 441 . 45 SER CB C 63.404 0.2 . 442 . 45 SER N N 119.116 0.2 . 443 . 46 LEU H H 8.910 0.02 . 444 . 46 LEU HA H 4.331 0.02 . 445 . 46 LEU HB2 H 1.767 0.02 . 446 . 46 LEU HB3 H 1.767 0.02 . 447 . 46 LEU HG H 1.739 0.02 . 448 . 46 LEU HD1 H 0.848 0.02 . 449 . 46 LEU HD2 H 0.876 0.02 . 450 . 46 LEU CA C 57.257 0.2 . 451 . 46 LEU CB C 41.066 0.2 . 452 . 46 LEU CG C 28.975 0.2 . 453 . 46 LEU CD1 C 23.704 0.2 . 454 . 46 LEU CD2 C 25.454 0.2 . 455 . 46 LEU N N 130.937 0.2 . 456 . 47 THR H H 8.507 0.02 . 457 . 47 THR HA H 4.320 0.02 . 458 . 47 THR HB H 4.135 0.02 . 459 . 47 THR HG2 H 1.305 0.02 . 460 . 47 THR CA C 64.776 0.2 . 461 . 47 THR CB C 69.326 0.2 . 462 . 47 THR N N 113.930 0.2 . 463 . 48 THR H H 8.157 0.02 . 464 . 48 THR HA H 4.564 0.02 . 465 . 48 THR HB H 4.518 0.02 . 466 . 48 THR HG2 H 1.303 0.02 . 467 . 48 THR CA C 61.734 0.2 . 468 . 48 THR CB C 71.348 0.2 . 469 . 48 THR N N 108.488 0.2 . 470 . 49 GLY H H 7.679 0.02 . 471 . 49 GLY HA2 H 4.298 0.02 . 472 . 49 GLY HA3 H 3.874 0.02 . 473 . 49 GLY CA C 45.804 0.2 . 474 . 49 GLY N N 110.448 0.2 . 475 . 50 GLN H H 7.942 0.02 . 476 . 50 GLN HA H 4.262 0.02 . 477 . 50 GLN HB2 H 2.087 0.02 . 478 . 50 GLN HB3 H 1.966 0.02 . 479 . 50 GLN HG2 H 2.461 0.02 . 480 . 50 GLN HG3 H 2.461 0.02 . 481 . 50 GLN HE21 H 6.972 0.02 . 482 . 50 GLN HE22 H 7.590 0.02 . 483 . 50 GLN CA C 56.527 0.2 . 484 . 50 GLN CB C 29.551 0.2 . 485 . 50 GLN CG C 34.144 0.2 . 486 . 50 GLN N N 120.762 0.2 . 487 . 50 GLN NE2 N 112.320 0.2 . 488 . 51 GLU H H 8.561 0.02 . 489 . 51 GLU HA H 5.732 0.02 . 490 . 51 GLU HB2 H 1.906 0.02 . 491 . 51 GLU HB3 H 1.843 0.02 . 492 . 51 GLU HG2 H 2.269 0.02 . 493 . 51 GLU HG3 H 2.059 0.02 . 494 . 51 GLU CA C 53.827 0.2 . 495 . 51 GLU CB C 34.204 0.2 . 496 . 51 GLU CG C 36.395 0.2 . 497 . 51 GLU N N 119.848 0.2 . 498 . 52 GLY H H 8.755 0.02 . 499 . 52 GLY HA2 H 4.137 0.02 . 500 . 52 GLY HA3 H 3.969 0.02 . 501 . 52 GLY CA C 45.581 0.2 . 502 . 52 GLY N N 107.503 0.2 . 503 . 53 PHE H H 8.729 0.02 . 504 . 53 PHE HA H 5.687 0.02 . 505 . 53 PHE HB2 H 3.182 0.02 . 506 . 53 PHE HB3 H 3.182 0.02 . 507 . 53 PHE HD1 H 7.209 0.02 . 508 . 53 PHE HD2 H 7.209 0.02 . 509 . 53 PHE CA C 58.817 0.2 . 510 . 53 PHE CB C 41.391 0.2 . 511 . 53 PHE N N 119.360 0.2 . 512 . 54 ILE H H 9.586 0.02 . 513 . 54 ILE HA H 5.223 0.02 . 514 . 54 ILE HB H 1.706 0.02 . 515 . 54 ILE HG12 H 1.456 0.02 . 516 . 54 ILE HG13 H 1.037 0.02 . 517 . 54 ILE HG2 H 1.152 0.02 . 518 . 54 ILE HD1 H 0.500 0.02 . 519 . 54 ILE CA C 57.326 0.2 . 520 . 54 ILE CB C 40.615 0.2 . 521 . 54 ILE CG1 C 25.521 0.2 . 522 . 54 ILE CG2 C 21.266 0.2 . 523 . 54 ILE CD1 C 15.668 0.2 . 524 . 54 ILE N N 113.101 0.2 . 525 . 55 PRO HA H 3.722 0.02 . 526 . 55 PRO HB2 H 1.270 0.02 . 527 . 55 PRO HB3 H 1.199 0.02 . 528 . 55 PRO HG2 H 0.661 0.02 . 529 . 55 PRO HG3 H 0.661 0.02 . 530 . 55 PRO HD2 H 2.851 0.02 . 531 . 55 PRO HD3 H 2.851 0.02 . 532 . 55 PRO CA C 61.543 0.2 . 533 . 55 PRO CB C 30.386 0.2 . 534 . 55 PRO CG C 26.979 0.2 . 535 . 55 PRO CD C 49.816 0.2 . 536 . 56 PHE H H 7.551 0.02 . 537 . 56 PHE HA H 2.889 0.02 . 538 . 56 PHE HB2 H 1.547 0.02 . 539 . 56 PHE HB3 H 1.147 0.02 . 540 . 56 PHE HD1 H 6.921 0.02 . 541 . 56 PHE HD2 H 6.921 0.02 . 542 . 56 PHE HE1 H 7.173 0.02 . 543 . 56 PHE HE2 H 7.173 0.02 . 544 . 56 PHE CA C 59.482 0.2 . 545 . 56 PHE CB C 35.634 0.2 . 546 . 56 PHE N N 123.607 0.2 . 547 . 57 ASN H H 7.259 0.02 . 548 . 57 ASN HA H 4.047 0.02 . 549 . 57 ASN HB2 H 2.559 0.02 . 550 . 57 ASN HB3 H 1.499 0.02 . 551 . 57 ASN HD21 H 6.537 0.02 . 552 . 57 ASN HD22 H 7.346 0.02 . 553 . 57 ASN CA C 52.288 0.2 . 554 . 57 ASN CB C 35.688 0.2 . 555 . 57 ASN N N 113.464 0.2 . 556 . 57 ASN ND2 N 111.863 0.2 . 557 . 58 PHE H H 7.693 0.02 . 558 . 58 PHE HA H 4.537 0.02 . 559 . 58 PHE HB2 H 3.666 0.02 . 560 . 58 PHE HB3 H 3.284 0.02 . 561 . 58 PHE HD1 H 7.072 0.02 . 562 . 58 PHE HD2 H 7.072 0.02 . 563 . 58 PHE HE1 H 7.403 0.02 . 564 . 58 PHE HE2 H 7.403 0.02 . 565 . 58 PHE HZ H 7.323 0.02 . 566 . 58 PHE CA C 58.174 0.2 . 567 . 58 PHE CB C 39.450 0.2 . 568 . 58 PHE N N 119.804 0.2 . 569 . 59 VAL H H 7.041 0.02 . 570 . 59 VAL HA H 5.276 0.02 . 571 . 59 VAL HB H 1.811 0.02 . 572 . 59 VAL HG1 H 0.421 0.02 . 573 . 59 VAL HG2 H 0.722 0.02 . 574 . 59 VAL CA C 58.424 0.2 . 575 . 59 VAL CB C 35.827 0.2 . 576 . 59 VAL CG1 C 21.894 0.2 . 577 . 59 VAL CG2 C 17.798 0.2 . 578 . 59 VAL N N 108.875 0.2 . 579 . 60 ALA H H 8.591 0.02 . 580 . 60 ALA HA H 4.745 0.02 . 581 . 60 ALA HB H 1.399 0.02 . 582 . 60 ALA CA C 50.761 0.2 . 583 . 60 ALA CB C 23.062 0.2 . 584 . 60 ALA N N 121.783 0.2 . 585 . 61 LYS H H 8.638 0.02 . 586 . 61 LYS HA H 4.296 0.02 . 587 . 61 LYS HB2 H 1.930 0.02 . 588 . 61 LYS HB3 H 1.864 0.02 . 589 . 61 LYS HG2 H 1.638 0.02 . 590 . 61 LYS HG3 H 1.590 0.02 . 591 . 61 LYS HD2 H 1.789 0.02 . 592 . 61 LYS HD3 H 1.789 0.02 . 593 . 61 LYS HE2 H 3.077 0.02 . 594 . 61 LYS HE3 H 3.077 0.02 . 595 . 61 LYS CA C 57.628 0.2 . 596 . 61 LYS CB C 32.918 0.2 . 597 . 61 LYS CG C 24.999 0.2 . 598 . 61 LYS CD C 29.272 0.2 . 599 . 61 LYS CE C 42.163 0.2 . 600 . 61 LYS N N 120.790 0.2 . 601 . 62 ALA H H 8.364 0.02 . 602 . 62 ALA HA H 4.312 0.02 . 603 . 62 ALA HB H 1.290 0.02 . 604 . 62 ALA CA C 52.527 0.2 . 605 . 62 ALA CB C 19.665 0.2 . 606 . 62 ALA N N 126.598 0.2 . 607 . 63 ASN H H 7.949 0.02 . 608 . 63 ASN HA H 4.459 0.02 . 609 . 63 ASN HB2 H 2.724 0.02 . 610 . 63 ASN HB3 H 2.724 0.02 . 611 . 63 ASN HD21 H 6.822 0.02 . 612 . 63 ASN HD22 H 7.513 0.02 . 613 . 63 ASN CA C 54.608 0.2 . 614 . 63 ASN CB C 40.547 0.2 . 615 . 63 ASN N N 123.266 0.2 . 616 . 63 ASN ND2 N 112.647 0.2 . stop_ save_