data_4902 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Complete sequence-specific 1H, 13C and 15N resonance assignments of a novel hPTK6 SH2 domain ; _BMRB_accession_number 4902 _BMRB_flat_file_name bmr4902.str _Entry_type original _Submission_date 2000-11-25 _Accession_date 2000-11-27 _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 Hong Eunmi . . 2 Shin Joon . . 3 Lee Weontae . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 551 "13C chemical shifts" 403 "15N chemical shifts" 96 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-04-26 original author . stop_ _Original_release_date 2001-04-26 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: Complete sequence-specific 1H, 13C and 15N resonance assignments of the human PTK6 SH2 domain ; _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 Hong Eunmi . . 2 Shin Joon . . 3 Bang Eunjung . . 4 Kim Min-Hyung . . 5 Lee Seung-Taek . . 6 Lee Weontae . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 19 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 291 _Page_last 292 _Year 2001 _Details . loop_ _Keyword 'Brk(Breast tumor kinase)' 'PTK6(Protein tyrosine kinase6)' 'sequence-specific assignment' 'SH2 domain' stop_ save_ ################################## # Molecular system description # ################################## save_system_SH2_domain_of_hPTK6 _Saveframe_category molecular_system _Mol_system_name 'SH2 domain of Human Protein Tyrosine Kinase 6' _Abbreviation_common 'SH2 domain of hPTK6' _Enzyme_commission_number 2.7.1.112 loop_ _Mol_system_component_name _Mol_label 'SH2 domain' $SH2_domain 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_SH2_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'SH2 domian of Human Protein Tyrosine Kinase6' _Abbreviation_common 'SH2 domain of hPTK6' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 100 _Mol_residue_sequence ; SEPWFFGCISRSEAVRRLQA EGNATGAFLIRVSEKPSADY VLSVRDTQAVRHYKIWRRAG GRLHLNEAVSFLSLPELVNY HRAQSLSHGLRLAAPCRKHE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 SER 2 2 GLU 3 3 PRO 4 4 TRP 5 5 PHE 6 6 PHE 7 7 GLY 8 8 CYS 9 9 ILE 10 10 SER 11 11 ARG 12 12 SER 13 13 GLU 14 14 ALA 15 15 VAL 16 16 ARG 17 17 ARG 18 18 LEU 19 19 GLN 20 20 ALA 21 21 GLU 22 22 GLY 23 23 ASN 24 24 ALA 25 25 THR 26 26 GLY 27 27 ALA 28 28 PHE 29 29 LEU 30 30 ILE 31 31 ARG 32 32 VAL 33 33 SER 34 34 GLU 35 35 LYS 36 36 PRO 37 37 SER 38 38 ALA 39 39 ASP 40 40 TYR 41 41 VAL 42 42 LEU 43 43 SER 44 44 VAL 45 45 ARG 46 46 ASP 47 47 THR 48 48 GLN 49 49 ALA 50 50 VAL 51 51 ARG 52 52 HIS 53 53 TYR 54 54 LYS 55 55 ILE 56 56 TRP 57 57 ARG 58 58 ARG 59 59 ALA 60 60 GLY 61 61 GLY 62 62 ARG 63 63 LEU 64 64 HIS 65 65 LEU 66 66 ASN 67 67 GLU 68 68 ALA 69 69 VAL 70 70 SER 71 71 PHE 72 72 LEU 73 73 SER 74 74 LEU 75 75 PRO 76 76 GLU 77 77 LEU 78 78 VAL 79 79 ASN 80 80 TYR 81 81 HIS 82 82 ARG 83 83 ALA 84 84 GLN 85 85 SER 86 86 LEU 87 87 SER 88 88 HIS 89 89 GLY 90 90 LEU 91 91 ARG 92 92 LEU 93 93 ALA 94 94 ALA 95 95 PRO 96 96 CYS 97 97 ARG 98 98 LYS 99 99 HIS 100 100 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-26 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 1RJA "Solution Structure And Backbone Dynamics Of The Nonreceptor Tyrosine Kinase Ptk6BRK SH2 DOMAIN" 100.00 100 100.00 100.00 6.99e-66 DBJ BAG37660 "unnamed protein product [Homo sapiens]" 100.00 451 100.00 100.00 1.27e-61 DBJ BAI45737 "PTK6 protein tyrosine kinase 6 [synthetic construct]" 100.00 451 100.00 100.00 1.27e-61 EMBL CAA55295 "tyrosine kinase [Homo sapiens]" 100.00 451 100.00 100.00 1.27e-61 GB AAC34935 "non-receptor type protein tyrosine kinase [Homo sapiens]" 100.00 451 100.00 100.00 1.27e-61 GB AAH35843 "PTK6 protein tyrosine kinase 6 [Homo sapiens]" 100.00 451 100.00 100.00 1.27e-61 GB EAW75262 "PTK6 protein tyrosine kinase 6, isoform CRA_a [Homo sapiens]" 100.00 521 100.00 100.00 1.44e-60 GB EAW75263 "PTK6 protein tyrosine kinase 6, isoform CRA_b [Homo sapiens]" 100.00 517 100.00 100.00 1.13e-60 REF NP_005966 "protein-tyrosine kinase 6 isoform 1 [Homo sapiens]" 100.00 451 100.00 100.00 1.27e-61 REF XP_002830575 "PREDICTED: protein-tyrosine kinase 6 [Pongo abelii]" 100.00 451 97.00 97.00 1.67e-59 REF XP_003280201 "PREDICTED: protein-tyrosine kinase 6 [Nomascus leucogenys]" 100.00 451 97.00 97.00 1.71e-59 REF XP_003809959 "PREDICTED: protein-tyrosine kinase 6 [Pan paniscus]" 100.00 451 98.00 99.00 2.92e-60 REF XP_004062576 "PREDICTED: protein-tyrosine kinase 6 isoform 1 [Gorilla gorilla gorilla]" 100.00 451 98.00 99.00 2.69e-60 SP Q13882 "RecName: Full=Protein-tyrosine kinase 6; AltName: Full=Breast tumor kinase; AltName: Full=Tyrosine-protein kinase BRK [Homo sap" 100.00 451 100.00 100.00 1.27e-61 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $SH2_domain Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $SH2_domain 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample-1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $SH2_domain . mM 0.5 1.0 '[U-98% 13C; U-99.8% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_nmrPipe _Saveframe_category software _Name nmrPipe _Version . loop_ _Task 'data processing' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label . save_ save_1H-15N_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TOCSY' _Sample_label . save_ save_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _Sample_label . save_ save_1H-13C_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQC' _Sample_label . save_ save_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HNHA_9 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_HMQC-J_10 _Saveframe_category NMR_applied_experiment _Experiment_name HMQC-J _Sample_label . save_ save_HNCO_11 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HCACO_12 _Saveframe_category NMR_applied_experiment _Experiment_name HCACO _Sample_label . save_ save_HNCACO_13 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACO _Sample_label . save_ save_1H-13C_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C NOESY' _Sample_label . save_ save_HCCH-TOCSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name HMQC-J _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name HCACO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_14 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_15 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.005 n/a temperature 298 0.1 K 'ionic strength' 0.15 . M 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 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . DSS C 13 'methyl protons' ppm 0.00 . indirect 0.251449530 . . DSS N 15 'methyl protons' ppm 0.00 . 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample-1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'SH2 domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 SER H H 7.65 0.007 1 2 . 1 SER HA H 4.27 0.007 1 3 . 1 SER HB2 H 3.87 0.007 1 4 . 1 SER HB3 H 3.87 0.007 1 5 . 1 SER C C 174.53 0.293 1 6 . 1 SER CA C 59.03 0.293 1 7 . 1 SER CB C 67.87 0.293 1 8 . 1 SER N N 118.11 0.313 1 9 . 2 GLU H H 8.12 0.007 1 10 . 2 GLU HA H 4.61 0.007 1 11 . 2 GLU HB2 H 1.12 0.007 1 12 . 2 GLU HB3 H 1.12 0.007 1 13 . 2 GLU HG2 H 1.47 0.007 1 14 . 2 GLU HG3 H 1.47 0.007 1 15 . 2 GLU C C 179.13 0.293 1 16 . 2 GLU CA C 56.28 0.293 1 17 . 2 GLU CB C 30.36 0.293 1 18 . 2 GLU CG C 37.5 0.293 1 19 . 2 GLU N N 115.86 0.313 1 20 . 3 PRO HA H 4.35 0.007 1 21 . 3 PRO HB2 H 2.28 0.007 1 22 . 3 PRO HB3 H 2.28 0.007 1 23 . 3 PRO HG2 H 2.14 0.007 1 24 . 3 PRO HG3 H 2.14 0.007 1 25 . 3 PRO HD2 H 3.64 0.007 1 26 . 3 PRO HD3 H 3.64 0.007 1 27 . 3 PRO C C 173.62 0.293 1 28 . 3 PRO CA C 56.25 0.293 1 29 . 3 PRO CB C 33.29 0.293 1 30 . 3 PRO CG C 25.19 0.293 1 31 . 3 PRO CD C 48.05 0.293 1 32 . 4 TRP H H 8.97 0.007 1 33 . 4 TRP HA H 4.53 0.007 1 34 . 4 TRP HB2 H 3.45 0.007 2 35 . 4 TRP HB3 H 3.23 0.007 2 36 . 4 TRP HD1 H 7.37 0.007 1 37 . 4 TRP HE1 H 10.98 0.007 1 38 . 4 TRP C C 174.26 0.293 1 39 . 4 TRP CA C 55.28 0.293 1 40 . 4 TRP CB C 30.36 0.293 1 41 . 4 TRP N N 129.42 0.313 1 42 . 5 PHE H H 9.24 0.007 1 43 . 5 PHE HA H 5.42 0.007 1 44 . 5 PHE HB2 H 3.12 0.007 1 45 . 5 PHE HB3 H 3.12 0.007 1 46 . 5 PHE C C 173.69 0.293 1 47 . 5 PHE CA C 51.24 0.293 1 48 . 5 PHE CB C 42.67 0.293 1 49 . 5 PHE N N 121.21 0.313 1 50 . 6 PHE H H 8.48 0.007 1 51 . 6 PHE HA H 4.64 0.007 1 52 . 6 PHE HB2 H 3.44 0.007 1 53 . 6 PHE HB3 H 3.44 0.007 1 54 . 6 PHE C C 173.03 0.293 1 55 . 6 PHE CA C 58.53 0.293 1 56 . 6 PHE CB C 41.5 0.293 1 57 . 6 PHE N N 118.42 0.313 1 58 . 7 GLY H H 8.38 0.007 1 59 . 7 GLY HA2 H 4.61 0.007 1 60 . 7 GLY HA3 H 4.61 0.007 1 61 . 7 GLY C C 174.8 0.293 1 62 . 7 GLY CA C 45.27 0.293 1 63 . 7 GLY N N 107.51 0.313 1 64 . 8 CYS H H 7.75 0.007 1 65 . 8 CYS HA H 4.42 0.007 1 66 . 8 CYS HB2 H 3.44 0.007 1 67 . 8 CYS HB3 H 3.44 0.007 1 68 . 8 CYS C C 173.89 0.293 1 69 . 8 CYS CA C 57.52 0.293 1 70 . 8 CYS CB C 28.95 0.293 1 71 . 8 CYS N N 122.85 0.313 1 72 . 9 ILE H H 7.89 0.007 1 73 . 9 ILE HA H 3.99 0.007 1 74 . 9 ILE HB H 1.47 0.007 1 75 . 9 ILE HG12 H 1.33 0.007 1 76 . 9 ILE HG13 H 1.33 0.007 1 77 . 9 ILE HG2 H 0.82 0.007 1 78 . 9 ILE HD1 H 0.59 0.007 1 79 . 9 ILE C C 173.03 0.293 1 80 . 9 ILE CA C 55.04 0.293 1 81 . 9 ILE CB C 41.6 0.293 1 82 . 9 ILE CG1 C 25.02 0.293 1 83 . 9 ILE CG2 C 17.23 0.293 1 84 . 9 ILE CD1 C 13.5 0.293 1 85 . 9 ILE N N 119.43 0.313 1 86 . 10 SER H H 7.87 0.007 1 87 . 10 SER HA H 4.09 0.007 1 88 . 10 SER HB2 H 3.54 0.007 1 89 . 10 SER HB3 H 3.54 0.007 1 90 . 10 SER C C 179.79 0.293 1 91 . 10 SER CA C 55.52 0.293 1 92 . 10 SER CB C 63.11 0.293 1 93 . 10 SER N N 114.91 0.313 1 94 . 11 ARG H H 7.93 0.007 1 95 . 11 ARG HA H 3.98 0.007 1 96 . 11 ARG HB2 H 1.91 0.007 1 97 . 11 ARG HB3 H 1.91 0.007 1 98 . 11 ARG HG2 H 1.77 0.007 1 99 . 11 ARG HG3 H 1.77 0.007 1 100 . 11 ARG HD2 H 2.95 0.007 1 101 . 11 ARG HD3 H 2.95 0.007 1 102 . 11 ARG C C 178.51 0.293 1 103 . 11 ARG CA C 61.53 0.293 1 104 . 11 ARG CB C 30.92 0.293 1 105 . 11 ARG CG C 26.16 0.293 1 106 . 11 ARG CD C 42.3 0.293 1 107 . 11 ARG N N 120.92 0.313 1 108 . 12 SER H H 7.62 0.007 1 109 . 12 SER HA H 4.38 0.007 1 110 . 12 SER HB2 H 3.87 0.007 1 111 . 12 SER HB3 H 3.87 0.007 1 112 . 12 SER C C 177.95 0.293 1 113 . 12 SER CA C 58.28 0.293 1 114 . 12 SER CB C 64.39 0.293 1 115 . 12 SER N N 114.84 0.313 1 116 . 13 GLU H H 7.3 0.007 1 117 . 13 GLU HA H 4.14 0.007 1 118 . 13 GLU HB2 H 1.7 0.007 1 119 . 13 GLU HB3 H 1.7 0.007 1 120 . 13 GLU HG2 H 2.12 0.007 1 121 . 13 GLU HG3 H 2.12 0.007 1 122 . 13 GLU C C 177.03 0.293 1 123 . 13 GLU CA C 57.53 0.293 1 124 . 13 GLU CB C 29.78 0.293 1 125 . 13 GLU CG C 36.64 0.293 1 126 . 13 GLU N N 117.72 0.313 1 127 . 14 ALA H H 6.89 0.007 1 128 . 14 ALA HA H 4.11 0.007 1 129 . 14 ALA HB H 1.25 0.007 1 130 . 14 ALA C C 177.82 0.293 1 131 . 14 ALA CA C 54.02 0.293 1 132 . 14 ALA CB C 18.22 0.293 1 133 . 14 ALA N N 119.46 0.313 1 134 . 15 VAL H H 7.23 0.007 1 135 . 15 VAL HA H 4.08 0.007 1 136 . 15 VAL HB H 1.58 0.007 1 137 . 15 VAL HG1 H 0.93 0.007 2 138 . 15 VAL HG2 H 0.81 0.007 2 139 . 15 VAL C C 179.52 0.293 1 140 . 15 VAL CA C 62.95 0.293 1 141 . 15 VAL CB C 29.1 0.293 1 142 . 15 VAL CG1 C 24.82 0.293 2 143 . 15 VAL CG2 C 19.91 0.293 2 144 . 15 VAL N N 115.93 0.313 1 145 . 16 ARG H H 6.96 0.007 1 146 . 16 ARG HA H 4.06 0.007 1 147 . 16 ARG HB2 H 1.97 0.007 1 148 . 16 ARG HB3 H 1.97 0.007 1 149 . 16 ARG HG2 H 1.8 0.007 1 150 . 16 ARG HG3 H 1.8 0.007 1 151 . 16 ARG HD2 H 3.05 0.007 1 152 . 16 ARG HD3 H 3.05 0.007 1 153 . 16 ARG C C 179.79 0.293 1 154 . 16 ARG CA C 58.18 0.293 1 155 . 16 ARG CB C 30.36 0.293 1 156 . 16 ARG CG C 26.26 0.293 1 157 . 16 ARG CD C 43.61 0.293 1 158 . 16 ARG N N 117.24 0.313 1 159 . 17 ARG H H 7.79 0.007 1 160 . 17 ARG HA H 3.95 0.007 1 161 . 17 ARG HB2 H 1.61 0.007 1 162 . 17 ARG HB3 H 1.61 0.007 1 163 . 17 ARG HG2 H 1.58 0.007 1 164 . 17 ARG HG3 H 1.58 0.007 1 165 . 17 ARG HD2 H 3.01 0.007 1 166 . 17 ARG HD3 H 3.01 0.007 1 167 . 17 ARG C C 177.89 0.293 1 168 . 17 ARG CA C 60.59 0.293 1 169 . 17 ARG CB C 31.4 0.293 1 170 . 17 ARG CG C 26.36 0.293 1 171 . 17 ARG CD C 42.3 0.293 1 172 . 17 ARG N N 123.74 0.313 1 173 . 18 LEU H H 7.03 0.007 1 174 . 18 LEU HA H 3.98 0.007 1 175 . 18 LEU HB2 H 1.36 0.007 1 176 . 18 LEU HB3 H 1.36 0.007 1 177 . 18 LEU HG H 1.25 0.007 1 178 . 18 LEU HD1 H 0.27 0.007 1 179 . 18 LEU HD2 H 0.27 0.007 1 180 . 18 LEU C C 177.03 0.293 1 181 . 18 LEU CA C 57.54 0.293 1 182 . 18 LEU CB C 41.59 0.293 1 183 . 18 LEU CG C 26.78 0.293 1 184 . 18 LEU CD1 C 25.12 0.293 1 185 . 18 LEU CD2 C 25.12 0.293 1 186 . 18 LEU N N 124 0.313 1 187 . 19 GLN H H 7.85 0.007 1 188 . 19 GLN HA H 3.98 0.007 1 189 . 19 GLN HB2 H 2.12 0.007 1 190 . 19 GLN HB3 H 2.12 0.007 1 191 . 19 GLN HG2 H 2.28 0.007 1 192 . 19 GLN HG3 H 2.28 0.007 1 193 . 19 GLN HE21 H 7.71 0.007 1 194 . 19 GLN HE22 H 6.93 0.007 1 195 . 19 GLN C C 178.8 0.293 1 196 . 19 GLN CA C 55.66 0.293 1 197 . 19 GLN CB C 28.49 0.293 1 198 . 19 GLN CG C 31.4 0.293 1 199 . 19 GLN N N 119.41 0.313 1 200 . 20 ALA H H 7.69 0.007 1 201 . 20 ALA HA H 4.31 0.007 1 202 . 20 ALA HB H 0.29 0.007 1 203 . 20 ALA C C 179.07 0.293 1 204 . 20 ALA CA C 51.27 0.293 1 205 . 20 ALA CB C 18.4 0.293 1 206 . 20 ALA N N 121.27 0.313 1 207 . 21 GLU H H 9.33 0.007 1 208 . 21 GLU HA H 4.31 0.007 1 209 . 21 GLU HB2 H 1.36 0.007 2 210 . 21 GLU HB3 H 1.25 0.007 2 211 . 21 GLU HG2 H 2.12 0.007 1 212 . 21 GLU HG3 H 2.12 0.007 1 213 . 21 GLU C C 175.13 0.293 1 214 . 21 GLU CA C 56.53 0.293 1 215 . 21 GLU CB C 27.54 0.293 1 216 . 21 GLU CG C 36.4 0.293 1 217 . 21 GLU N N 120.55 0.313 1 218 . 22 GLY H H 7.37 0.007 1 219 . 22 GLY HA2 H 4.64 0.007 1 220 . 22 GLY HA3 H 4.64 0.007 1 221 . 22 GLY C C 173.91 0.293 1 222 . 22 GLY CA C 44.02 0.293 1 223 . 22 GLY N N 108.35 0.313 1 224 . 23 ASN H H 9.99 0.007 1 225 . 23 ASN HA H 4.62 0.007 1 226 . 23 ASN HB2 H 2.82 0.007 2 227 . 23 ASN HB3 H 2.21 0.007 2 228 . 23 ASN HD21 H 7.44 0.007 1 229 . 23 ASN HD22 H 6.79 0.007 1 230 . 23 ASN C C 179.99 0.293 1 231 . 23 ASN CA C 56.83 0.293 1 232 . 23 ASN CB C 40.43 0.293 1 233 . 23 ASN N N 116.54 0.313 1 234 . 24 ALA H H 8.55 0.007 1 235 . 24 ALA HA H 4.09 0.007 1 236 . 24 ALA HB H 1.47 0.007 1 237 . 24 ALA C C 176.05 0.293 1 238 . 24 ALA CA C 56.78 0.293 1 239 . 24 ALA CB C 18.16 0.293 1 240 . 24 ALA N N 128.76 0.313 1 241 . 25 THR H H 8.64 0.007 1 242 . 25 THR HA H 4.44 0.007 1 243 . 25 THR HB H 4.09 0.007 1 244 . 25 THR HG2 H 1.58 0.007 1 245 . 25 THR C C 176.45 0.293 1 246 . 25 THR CA C 55.87 0.293 1 247 . 25 THR CB C 69.18 0.293 1 248 . 25 THR CG2 C 19.92 0.293 1 249 . 25 THR N N 123.96 0.313 1 250 . 26 GLY H H 8.39 0.007 1 251 . 26 GLY HA2 H 4.09 0.007 1 252 . 26 GLY HA3 H 4.09 0.007 1 253 . 26 GLY C C 177.03 0.293 1 254 . 26 GLY CA C 45.77 0.293 1 255 . 26 GLY N N 111.89 0.313 1 256 . 27 ALA H H 6.9 0.007 1 257 . 27 ALA HA H 4.86 0.007 1 258 . 27 ALA HB H 1.25 0.007 1 259 . 27 ALA C C 175.15 0.293 1 260 . 27 ALA CA C 51.77 0.293 1 261 . 27 ALA CB C 18.23 0.293 1 262 . 27 ALA N N 122.15 0.313 1 263 . 28 PHE H H 8.45 0.007 1 264 . 28 PHE HA H 4.64 0.007 1 265 . 28 PHE HB2 H 3.05 0.007 1 266 . 28 PHE HB3 H 3.05 0.007 1 267 . 28 PHE C C 171.61 0.293 1 268 . 28 PHE CA C 57.03 0.293 1 269 . 28 PHE CB C 43.84 0.293 1 270 . 28 PHE N N 120.12 0.313 1 271 . 29 LEU H H 7.96 0.007 1 272 . 29 LEU HA H 4.98 0.007 1 273 . 29 LEU HB2 H 1.9 0.007 2 274 . 29 LEU HB3 H 1.7 0.007 2 275 . 29 LEU HG H 1.82 0.007 1 276 . 29 LEU HD1 H 0.84 0.007 1 277 . 29 LEU HD2 H 0.59 0.007 1 278 . 29 LEU C C 174.03 0.293 1 279 . 29 LEU CA C 56.02 0.293 1 280 . 29 LEU CB C 43.26 0.293 1 281 . 29 LEU CG C 26.03 0.293 1 282 . 29 LEU CD1 C 25.87 0.293 1 283 . 29 LEU CD2 C 23.64 0.293 1 284 . 29 LEU N N 115.12 0.313 1 285 . 30 ILE H H 7.87 0.007 1 286 . 30 ILE HA H 4.09 0.007 1 287 . 30 ILE HB H 1.98 0.007 1 288 . 30 ILE HG12 H 1.54 0.007 1 289 . 30 ILE HG13 H 1.54 0.007 1 290 . 30 ILE HG2 H 0.88 0.007 1 291 . 30 ILE HD1 H 0.73 0.007 1 292 . 30 ILE C C 173.51 0.293 1 293 . 30 ILE CA C 61.73 0.293 1 294 . 30 ILE CB C 41.5 0.293 1 295 . 30 ILE CG1 C 26.95 0.293 2 296 . 30 ILE CG2 C 17.23 0.293 2 297 . 30 ILE CD1 C 14.07 0.293 1 298 . 30 ILE N N 114.98 0.313 1 299 . 31 ARG H H 7.93 0.007 1 300 . 31 ARG HA H 4.64 0.007 1 301 . 31 ARG HB2 H 1.81 0.007 1 302 . 31 ARG HB3 H 1.81 0.007 1 303 . 31 ARG HG2 H 1.72 0.007 1 304 . 31 ARG HG3 H 1.72 0.007 1 305 . 31 ARG HD2 H 2.78 0.007 1 306 . 31 ARG HD3 H 2.78 0.007 1 307 . 31 ARG C C 173.57 0.293 1 308 . 31 ARG CA C 55.51 0.293 1 309 . 31 ARG CB C 34.47 0.293 1 310 . 31 ARG CG C 29.27 0.293 1 311 . 31 ARG CD C 41.6 0.293 1 312 . 31 ARG N N 117.99 0.313 1 313 . 32 VAL H H 8.64 0.007 1 314 . 32 VAL HA H 3.87 0.007 1 315 . 32 VAL HB H 1.25 0.007 1 316 . 32 VAL HG1 H 1.05 0.007 2 317 . 32 VAL HG2 H 0.98 0.007 2 318 . 32 VAL C C 174.62 0.293 1 319 . 32 VAL CA C 64.27 0.293 1 320 . 32 VAL CB C 32.47 0.293 1 321 . 32 VAL CG1 C 22.47 0.293 2 322 . 32 VAL CG2 C 21.92 0.293 2 323 . 32 VAL N N 123.03 0.313 1 324 . 33 SER H H 9.03 0.007 1 325 . 33 SER HA H 5.31 0.007 1 326 . 33 SER HB2 H 4.64 0.007 1 327 . 33 SER HB3 H 4.64 0.007 1 328 . 33 SER C C 174.89 0.293 1 329 . 33 SER CA C 56.78 0.293 1 330 . 33 SER CB C 63.76 0.293 1 331 . 33 SER N N 127.62 0.313 1 332 . 34 GLU H H 9.39 0.007 1 333 . 34 GLU HA H 4.19 0.007 1 334 . 34 GLU HB2 H 1.8 0.007 1 335 . 34 GLU HB3 H 1.8 0.007 1 336 . 34 GLU HG2 H 2.23 0.007 1 337 . 34 GLU HG3 H 2.23 0.007 1 338 . 34 GLU C C 174.23 0.293 1 339 . 34 GLU CA C 59.53 0.293 1 340 . 34 GLU CB C 28.71 0.293 1 341 . 34 GLU CG C 37.98 0.293 1 342 . 34 GLU N N 122.95 0.313 1 343 . 35 LYS H H 9.03 0.007 1 344 . 35 LYS HA H 4.64 0.007 1 345 . 35 LYS HB2 H 1.81 0.007 1 346 . 35 LYS HB3 H 1.81 0.007 1 347 . 35 LYS HG2 H 1.47 0.007 1 348 . 35 LYS HG3 H 1.47 0.007 1 349 . 35 LYS HD2 H 1.72 0.007 1 350 . 35 LYS HD3 H 1.72 0.007 1 351 . 35 LYS HE2 H 2.89 0.007 1 352 . 35 LYS HE3 H 2.89 0.007 1 353 . 35 LYS C C 173.42 0.293 1 354 . 35 LYS CA C 54.02 0.293 1 355 . 35 LYS CB C 34.88 0.293 1 356 . 35 LYS CG C 24.61 0.293 1 357 . 35 LYS CD C 28.12 0.293 1 358 . 35 LYS CE C 42.43 0.293 1 359 . 35 LYS N N 125.93 0.313 1 360 . 36 PRO HA H 4.57 0.007 1 361 . 36 PRO HB2 H 2.05 0.007 1 362 . 36 PRO HB3 H 2.05 0.007 1 363 . 36 PRO HG2 H 1.97 0.007 1 364 . 36 PRO HG3 H 1.97 0.007 1 365 . 36 PRO HD2 H 3.57 0.007 1 366 . 36 PRO HD3 H 3.57 0.007 1 367 . 36 PRO C C 174.74 0.293 1 368 . 36 PRO CA C 63.34 0.293 1 369 . 36 PRO CB C 33.31 0.293 1 370 . 36 PRO CG C 27.45 0.293 1 371 . 36 PRO CD C 49.8 0.293 1 372 . 37 SER H H 5.56 0.007 1 373 . 37 SER HA H 4.21 0.007 1 374 . 37 SER HB2 H 4.04 0.007 1 375 . 37 SER HB3 H 4.04 0.007 1 376 . 37 SER C C 175.98 0.293 1 377 . 37 SER CA C 58.01 0.293 1 378 . 37 SER CB C 62.69 0.293 1 379 . 37 SER N N 103.36 0.313 1 380 . 38 ALA H H 7.5 0.007 1 381 . 38 ALA HA H 4.42 0.007 1 382 . 38 ALA HB H 1.12 0.007 1 383 . 38 ALA C C 179.07 0.293 1 384 . 38 ALA CA C 56.28 0.293 1 385 . 38 ALA CB C 19.5 0.293 1 386 . 38 ALA N N 118.84 0.313 1 387 . 39 ASP H H 9.36 0.007 1 388 . 39 ASP HA H 4.32 0.007 1 389 . 39 ASP HB2 H 2.89 0.007 1 390 . 39 ASP HB3 H 2.89 0.007 1 391 . 39 ASP C C 174.1 0.293 1 392 . 39 ASP CA C 53.04 0.293 1 393 . 39 ASP CB C 39.84 0.293 1 394 . 39 ASP N N 120.65 0.313 1 395 . 40 TYR H H 9.33 0.007 1 396 . 40 TYR HA H 4.86 0.007 1 397 . 40 TYR HB2 H 2.97 0.007 1 398 . 40 TYR HB3 H 2.97 0.007 1 399 . 40 TYR C C 174.43 0.293 1 400 . 40 TYR CA C 57.03 0.293 1 401 . 40 TYR CB C 39.82 0.293 1 402 . 40 TYR N N 117.43 0.313 1 403 . 41 VAL H H 7.26 0.007 1 404 . 41 VAL HA H 4.75 0.007 1 405 . 41 VAL HB H 2.49 0.007 1 406 . 41 VAL HG1 H 0.95 0.007 2 407 . 41 VAL HG2 H 0.92 0.007 2 408 . 41 VAL C C 172.46 0.293 1 409 . 41 VAL CA C 56.06 0.293 1 410 . 41 VAL CB C 35.05 0.293 1 411 . 41 VAL CG1 C 22.26 0.293 1 412 . 41 VAL CG2 C 22.26 0.293 1 413 . 41 VAL N N 125.06 0.313 1 414 . 42 LEU H H 8.43 0.007 1 415 . 42 LEU HA H 4.64 0.007 1 416 . 42 LEU HB2 H 2.23 0.007 1 417 . 42 LEU HB3 H 2.23 0.007 1 418 . 42 LEU HG H 2.12 0.007 1 419 . 42 LEU HD1 H 0.94 0.007 2 420 . 42 LEU HD2 H 0.91 0.007 2 421 . 42 LEU C C 174.1 0.293 1 422 . 42 LEU CA C 54.77 0.293 1 423 . 42 LEU CB C 45.5 0.293 1 424 . 42 LEU CG C 25.19 0.293 1 425 . 42 LEU CD1 C 22.23 0.293 2 426 . 42 LEU CD2 C 21.09 0.293 2 427 . 42 LEU N N 116.41 0.313 1 428 . 43 SER H H 9.3 0.007 1 429 . 43 SER HA H 4.53 0.007 1 430 . 43 SER HB2 H 3.89 0.007 1 431 . 43 SER HB3 H 3.89 0.007 1 432 . 43 SER C C 173.67 0.293 1 433 . 43 SER CA C 58.24 0.293 1 434 . 43 SER CB C 63.95 0.293 1 435 . 43 SER N N 118.11 0.313 1 436 . 44 VAL H H 9.26 0.007 1 437 . 44 VAL HA H 5.08 0.007 1 438 . 44 VAL HB H 2.02 0.007 1 439 . 44 VAL HG1 H 0.79 0.007 2 440 . 44 VAL HG2 H 0.71 0.007 2 441 . 44 VAL C C 174.89 0.293 1 442 . 44 VAL CA C 60.52 0.293 1 443 . 44 VAL CB C 36.81 0.293 1 444 . 44 VAL CG1 C 23.16 0.293 2 445 . 44 VAL CG2 C 22.61 0.293 2 446 . 44 VAL N N 130.49 0.313 1 447 . 45 ARG H H 8.43 0.007 1 448 . 45 ARG HA H 5.19 0.007 1 449 . 45 ARG HB2 H 1.85 0.007 2 450 . 45 ARG HB3 H 1.75 0.007 2 451 . 45 ARG HG2 H 1.63 0.007 1 452 . 45 ARG HG3 H 1.63 0.007 1 453 . 45 ARG HD2 H 3.4 0.007 1 454 . 45 ARG HD3 H 3.4 0.007 1 455 . 45 ARG C C 173.71 0.293 1 456 . 45 ARG CA C 55.28 0.293 1 457 . 45 ARG CB C 31.98 0.293 1 458 . 45 ARG CG C 24.61 0.293 1 459 . 45 ARG CD C 41.01 0.293 1 460 . 45 ARG N N 116.41 0.313 1 461 . 46 ASP H H 8.51 0.007 1 462 . 46 ASP HA H 3.87 0.007 1 463 . 46 ASP HB2 H 1.58 0.007 1 464 . 46 ASP HB3 H 1.58 0.007 1 465 . 46 ASP C C 178.74 0.293 1 466 . 46 ASP CA C 55.02 0.293 1 467 . 46 ASP CB C 38.67 0.293 1 468 . 46 ASP N N 123.51 0.313 1 469 . 47 THR H H 8.2 0.007 1 470 . 47 THR HA H 4.64 0.007 1 471 . 47 THR HB H 4.09 0.007 1 472 . 47 THR HG2 H 1.69 0.007 1 473 . 47 THR C C 177.69 0.293 1 474 . 47 THR CA C 57.53 0.293 1 475 . 47 THR CB C 68.59 0.293 1 476 . 47 THR CG2 C 20.5 0.293 1 477 . 47 THR N N 127.68 0.313 1 478 . 48 GLN H H 8.51 0.007 1 479 . 48 GLN HA H 3.98 0.007 1 480 . 48 GLN HB2 H 1.7 0.007 1 481 . 48 GLN HB3 H 1.7 0.007 1 482 . 48 GLN HG2 H 1.96 0.007 1 483 . 48 GLN HG3 H 1.96 0.007 1 484 . 48 GLN HE21 H 7.01 0.007 1 485 . 48 GLN HE22 H 6.7 0.007 1 486 . 48 GLN C C 178.8 0.293 1 487 . 48 GLN CA C 57.51 0.293 1 488 . 48 GLN CB C 27.49 0.293 1 489 . 48 GLN CG C 30.41 0.293 1 490 . 48 GLN N N 125.78 0.313 1 491 . 49 ALA H H 7.69 0.007 1 492 . 49 ALA HA H 4.33 0.007 1 493 . 49 ALA HB H 0.92 0.007 1 494 . 49 ALA C C 176.92 0.293 1 495 . 49 ALA CA C 51.27 0.293 1 496 . 49 ALA CB C 18.75 0.293 1 497 . 49 ALA N N 121.27 0.313 1 498 . 50 VAL H H 7.99 0.007 1 499 . 50 VAL HA H 5.84 0.007 1 500 . 50 VAL HB H 2.58 0.007 1 501 . 50 VAL HG1 H 1.25 0.007 2 502 . 50 VAL HG2 H 1.14 0.007 2 503 . 50 VAL C C 174.74 0.293 1 504 . 50 VAL CA C 55.27 0.293 1 505 . 50 VAL CB C 34.47 0.293 1 506 . 50 VAL CG1 C 19.11 0.293 2 507 . 50 VAL CG2 C 18.56 0.293 2 508 . 50 VAL N N 117.2 0.313 1 509 . 51 ARG H H 9.16 0.007 1 510 . 51 ARG HA H 4.97 0.007 1 511 . 51 ARG HB2 H 1.36 0.007 1 512 . 51 ARG HB3 H 1.36 0.007 1 513 . 51 ARG HG2 H 1.27 0.007 1 514 . 51 ARG HG3 H 1.27 0.007 1 515 . 51 ARG HD2 H 2.79 0.007 1 516 . 51 ARG HD3 H 2.79 0.007 1 517 . 51 ARG C C 174.02 0.293 1 518 . 51 ARG CA C 55.53 0.293 1 519 . 51 ARG CB C 32.71 0.293 1 520 . 51 ARG CG C 28.61 0.293 1 521 . 51 ARG CD C 43.12 0.293 1 522 . 51 ARG N N 115.65 0.313 1 523 . 52 HIS H H 9.42 0.007 1 524 . 52 HIS HA H 5.3 0.007 1 525 . 52 HIS HB2 H 3.57 0.007 1 526 . 52 HIS HB3 H 3.57 0.007 1 527 . 52 HIS HD2 H 7.62 0.007 1 528 . 52 HIS HE1 H 7.73 0.007 1 529 . 52 HIS C C 172.59 0.293 1 530 . 52 HIS CA C 55.03 0.293 1 531 . 52 HIS CB C 32.12 0.293 1 532 . 52 HIS N N 119.56 0.313 1 533 . 53 TYR H H 9.16 0.007 1 534 . 53 TYR HA H 5.32 0.007 1 535 . 53 TYR HB2 H 3.12 0.007 1 536 . 53 TYR HB3 H 3.12 0.007 1 537 . 53 TYR C C 173.57 0.293 1 538 . 53 TYR CA C 50.77 0.293 1 539 . 53 TYR CB C 43.84 0.293 1 540 . 53 TYR N N 123.86 0.313 1 541 . 54 LYS H H 8.39 0.007 1 542 . 54 LYS HA H 4.98 0.007 1 543 . 54 LYS HB2 H 1.73 0.007 1 544 . 54 LYS HB3 H 1.73 0.007 1 545 . 54 LYS HG2 H 1.31 0.007 1 546 . 54 LYS HG3 H 1.31 0.007 1 547 . 54 LYS HD2 H 1.69 0.007 1 548 . 54 LYS HD3 H 1.69 0.007 1 549 . 54 LYS HE2 H 2.89 0.007 1 550 . 54 LYS HE3 H 2.89 0.007 1 551 . 54 LYS C C 172.98 0.293 1 552 . 54 LYS CA C 56.79 0.293 1 553 . 54 LYS CB C 33.29 0.293 1 554 . 54 LYS CG C 25.78 0.293 1 555 . 54 LYS CD C 29.54 0.293 1 556 . 54 LYS CE C 42.36 0.293 1 557 . 54 LYS N N 123.94 0.313 1 558 . 55 ILE H H 7.49 0.007 1 559 . 55 ILE HA H 3.98 0.007 1 560 . 55 ILE HB H 1.85 0.007 1 561 . 55 ILE HG12 H 1.48 0.007 1 562 . 55 ILE HG13 H 1.48 0.007 1 563 . 55 ILE HG2 H 0.88 0.007 1 564 . 55 ILE HD1 H 0.72 0.007 1 565 . 55 ILE C C 176.92 0.293 1 566 . 55 ILE CA C 57.78 0.293 1 567 . 55 ILE CB C 37.88 0.293 1 568 . 55 ILE CG1 C 25.5 0.293 2 569 . 55 ILE CG2 C 17.19 0.293 2 570 . 55 ILE CD1 C 13.92 0.293 1 571 . 55 ILE N N 120.01 0.313 1 572 . 56 TRP H H 9.07 0.007 1 573 . 56 TRP HA H 4.97 0.007 1 574 . 56 TRP HB2 H 3.55 0.007 1 575 . 56 TRP HB3 H 3.55 0.007 1 576 . 56 TRP HD1 H 7.21 0.007 1 577 . 56 TRP HE1 H 9.91 0.007 1 578 . 56 TRP C C 175.28 0.293 1 579 . 56 TRP CA C 55.03 0.293 1 580 . 56 TRP CB C 29.19 0.293 1 581 . 56 TRP N N 122.54 0.313 1 582 . 57 ARG H H 9.44 0.007 1 583 . 57 ARG HA H 4.09 0.007 1 584 . 57 ARG HB2 H 1.83 0.007 1 585 . 57 ARG HB3 H 1.83 0.007 1 586 . 57 ARG HG2 H 1.36 0.007 1 587 . 57 ARG HG3 H 1.36 0.007 1 588 . 57 ARG HD2 H 3.55 0.007 1 589 . 57 ARG HD3 H 3.55 0.007 1 590 . 57 ARG C C 176.4 0.293 1 591 . 57 ARG CA C 56.53 0.293 1 592 . 57 ARG CB C 32.71 0.293 1 593 . 57 ARG CG C 27.43 0.293 1 594 . 57 ARG CD C 43.42 0.293 1 595 . 57 ARG N N 128.28 0.313 1 596 . 58 ARG H H 8.79 0.007 1 597 . 58 ARG HA H 5.19 0.007 1 598 . 58 ARG HB2 H 2.25 0.007 1 599 . 58 ARG HB3 H 2.25 0.007 1 600 . 58 ARG HG2 H 1.47 0.007 1 601 . 58 ARG HG3 H 1.47 0.007 1 602 . 58 ARG HD2 H 3.21 0.007 1 603 . 58 ARG HD3 H 3.21 0.007 1 604 . 58 ARG C C 173.3 0.293 1 605 . 58 ARG CA C 51.02 0.293 1 606 . 58 ARG CB C 31.05 0.293 1 607 . 58 ARG CG C 25.78 0.293 1 608 . 58 ARG CD C 40.41 0.293 1 609 . 58 ARG N N 130.79 0.313 1 610 . 59 ALA H H 8.26 0.007 1 611 . 59 ALA HA H 4.01 0.007 1 612 . 59 ALA HB H 1.03 0.007 1 613 . 59 ALA C C 174.94 0.293 1 614 . 59 ALA CA C 52.79 0.293 1 615 . 59 ALA CB C 16.4 0.293 1 616 . 59 ALA N N 123.28 0.313 1 617 . 60 GLY H H 8.72 0.007 1 618 . 60 GLY HA2 H 4.64 0.007 1 619 . 60 GLY HA3 H 4.64 0.007 1 620 . 60 GLY C C 175.15 0.293 1 621 . 60 GLY CA C 44.01 0.293 1 622 . 60 GLY N N 110.7 0.313 1 623 . 61 GLY H H 8.43 0.007 1 624 . 61 GLY HA2 H 4.86 0.007 1 625 . 61 GLY HA3 H 4.86 0.007 1 626 . 61 GLY C C 175.15 0.293 1 627 . 61 GLY CA C 41.47 0.293 1 628 . 61 GLY N N 111.89 0.313 1 629 . 62 ARG H H 8.45 0.007 1 630 . 62 ARG HA H 4.23 0.007 1 631 . 62 ARG HB2 H 1.8 0.007 1 632 . 62 ARG HB3 H 1.8 0.007 1 633 . 62 ARG HG2 H 1.36 0.007 1 634 . 62 ARG HG3 H 1.36 0.007 1 635 . 62 ARG C C 176.51 0.293 1 636 . 62 ARG CA C 57.03 0.293 1 637 . 62 ARG CB C 28.71 0.293 1 638 . 62 ARG CG C 23.43 0.293 1 639 . 62 ARG CD C 40.43 0.293 1 640 . 62 ARG N N 119.97 0.313 1 641 . 63 LEU H H 8.36 0.007 1 642 . 63 LEU HA H 4.61 0.007 1 643 . 63 LEU HB2 H 1.56 0.007 1 644 . 63 LEU HB3 H 1.56 0.007 1 645 . 63 LEU HG H 1.55 0.007 1 646 . 63 LEU HD1 H 0.92 0.007 2 647 . 63 LEU HD2 H 0.84 0.007 2 648 . 63 LEU C C 173.95 0.293 1 649 . 63 LEU CA C 53.27 0.293 1 650 . 63 LEU CB C 42.67 0.293 1 651 . 63 LEU CG C 26.61 0.293 1 652 . 63 LEU CD1 C 24.61 0.293 2 653 . 63 LEU CD2 C 23.45 0.293 2 654 . 63 LEU N N 121.12 0.313 1 655 . 64 HIS H H 7.36 0.007 1 656 . 64 HIS HA H 4.98 0.007 1 657 . 64 HIS HB2 H 3.42 0.007 1 658 . 64 HIS HD2 H 6.92 0.007 1 659 . 64 HIS HE1 H 7.65 0.007 1 660 . 64 HIS C C 174.13 0.293 1 661 . 64 HIS CA C 55.03 0.293 1 662 . 64 HIS CB C 33.64 0.293 1 663 . 64 HIS N N 116.12 0.313 1 664 . 65 LEU H H 7.65 0.007 1 665 . 65 LEU HA H 4.53 0.007 1 666 . 65 LEU HB2 H 1.48 0.007 1 667 . 65 LEU HB3 H 1.48 0.007 1 668 . 65 LEU HG H 1.41 0.007 1 669 . 65 LEU HD1 H 0.37 0.007 1 670 . 65 LEU HD2 H 0.37 0.007 1 671 . 65 LEU C C 173.55 0.293 1 672 . 65 LEU CA C 52.52 0.293 1 673 . 65 LEU CB C 43.26 0.293 1 674 . 65 LEU CG C 25.19 0.293 1 675 . 65 LEU CD1 C 21.63 0.293 1 676 . 65 LEU CD2 C 21.63 0.293 1 677 . 65 LEU N N 118.59 0.313 1 678 . 66 ASN H H 8.95 0.007 1 679 . 66 ASN HA H 4.26 0.007 1 680 . 66 ASN HB2 H 3.09 0.007 1 681 . 66 ASN HB3 H 3.09 0.007 1 682 . 66 ASN C C 174.92 0.293 1 683 . 66 ASN CA C 55.77 0.293 1 684 . 66 ASN CB C 39.84 0.293 1 685 . 66 ASN N N 116.29 0.313 1 686 . 67 GLU H H 9.08 0.007 1 687 . 67 GLU HA H 4.33 0.007 1 688 . 67 GLU HB2 H 2.19 0.007 1 689 . 67 GLU HB3 H 2.19 0.007 1 690 . 67 GLU HG2 H 2.34 0.007 1 691 . 67 GLU HG3 H 2.34 0.007 1 692 . 67 GLU C C 177.23 0.293 1 693 . 67 GLU CA C 51.77 0.293 1 694 . 67 GLU CB C 29.27 0.293 1 695 . 67 GLU CG C 36.64 0.293 1 696 . 67 GLU N N 118.94 0.313 1 697 . 68 ALA H H 7.6 0.007 1 698 . 68 ALA HA H 4.86 0.007 1 699 . 68 ALA HB H 1.36 0.007 1 700 . 68 ALA C C 174.21 0.293 1 701 . 68 ALA CA C 59.51 0.293 1 702 . 68 ALA CB C 18.75 0.293 1 703 . 68 ALA N N 123.53 0.313 1 704 . 69 VAL H H 8.08 0.007 1 705 . 69 VAL HA H 4.75 0.007 1 706 . 69 VAL HB H 2.13 0.007 1 707 . 69 VAL HG1 H 0.48 0.007 1 708 . 69 VAL HG2 H 0.48 0.007 1 709 . 69 VAL C C 175.26 0.293 1 710 . 69 VAL CA C 64.79 0.293 1 711 . 69 VAL CB C 32.59 0.293 1 712 . 69 VAL CG1 C 20.07 0.293 1 713 . 69 VAL CG2 C 20.07 0.293 1 714 . 69 VAL N N 115.64 0.313 1 715 . 70 SER H H 9.75 0.007 1 716 . 70 SER HA H 4.78 0.007 1 717 . 70 SER HB2 H 3.87 0.007 1 718 . 70 SER HB3 H 3.87 0.007 1 719 . 70 SER C C 175.21 0.293 1 720 . 70 SER CA C 54.51 0.293 1 721 . 70 SER CB C 64.94 0.293 1 722 . 70 SER N N 117.1 0.313 1 723 . 71 PHE H H 8.44 0.007 1 724 . 71 PHE HA H 4.33 0.007 1 725 . 71 PHE HB2 H 3.44 0.007 1 726 . 71 PHE HB3 H 3.44 0.007 1 727 . 71 PHE C C 176.72 0.293 1 728 . 71 PHE CA C 51.02 0.293 1 729 . 71 PHE CB C 41.5 0.293 1 730 . 71 PHE N N 126.01 0.313 1 731 . 72 LEU H H 7.8 0.007 1 732 . 72 LEU HA H 4.32 0.007 1 733 . 72 LEU HB2 H 1.68 0.007 1 734 . 72 LEU HB3 H 1.68 0.007 1 735 . 72 LEU HG H 1.68 0.007 1 736 . 72 LEU HD1 H 0.76 0.007 2 737 . 72 LEU HD2 H 0.73 0.007 2 738 . 72 LEU C C 174.36 0.293 1 739 . 72 LEU CA C 55.27 0.293 1 740 . 72 LEU CB C 41.67 0.293 1 741 . 72 LEU CG C 25.37 0.293 1 742 . 72 LEU CD1 C 23.21 0.293 2 743 . 72 LEU CD2 C 22.53 0.293 2 744 . 72 LEU N N 113.66 0.313 1 745 . 73 SER H H 7.54 0.007 1 746 . 73 SER HA H 4.8 0.007 1 747 . 73 SER HB2 H 3.77 0.007 1 748 . 73 SER HB3 H 3.77 0.007 1 749 . 73 SER C C 179.92 0.293 1 750 . 73 SER CA C 60.03 0.293 1 751 . 73 SER CB C 65.18 0.293 1 752 . 73 SER N N 111.79 0.313 1 753 . 74 LEU H H 9.08 0.007 1 754 . 74 LEU HA H 3.87 0.007 1 755 . 74 LEU HB2 H 1.69 0.007 1 756 . 74 LEU HB3 H 1.69 0.007 1 757 . 74 LEU HG H 1.69 0.007 1 758 . 74 LEU HD1 H 0.75 0.007 2 759 . 74 LEU HD2 H 0.71 0.007 2 760 . 74 LEU C C 177.51 0.293 1 761 . 74 LEU CA C 59.03 0.293 1 762 . 74 LEU CB C 43.84 0.293 1 763 . 74 LEU CG C 26.43 0.293 1 764 . 74 LEU CD1 C 23.45 0.293 2 765 . 74 LEU CD2 C 22.21 0.293 2 766 . 74 LEU N N 122.6 0.313 1 767 . 75 PRO HA H 3.38 0.007 1 768 . 75 PRO HB2 H 1.41 0.007 1 769 . 75 PRO HB3 H 1.41 0.007 1 770 . 75 PRO HG2 H 1.35 0.007 1 771 . 75 PRO HG3 H 1.35 0.007 1 772 . 75 PRO HD2 H 3.81 0.007 1 773 . 75 PRO HD3 H 3.81 0.007 1 774 . 75 PRO C C 178.02 0.293 1 775 . 75 PRO CA C 66.71 0.293 1 776 . 75 PRO CB C 32.11 0.293 1 777 . 75 PRO CG C 27.51 0.293 1 778 . 75 PRO CD C 49.13 0.293 1 779 . 76 GLU H H 8.83 0.007 1 780 . 76 GLU HA H 4.36 0.007 1 781 . 76 GLU HB2 H 1.8 0.007 1 782 . 76 GLU HB3 H 1.8 0.007 1 783 . 76 GLU HG2 H 2.02 0.007 1 784 . 76 GLU HG3 H 2.02 0.007 1 785 . 76 GLU C C 179.13 0.293 1 786 . 76 GLU CA C 58.33 0.293 1 787 . 76 GLU CB C 29.05 0.293 1 788 . 76 GLU CG C 35.95 0.293 1 789 . 76 GLU N N 124.67 0.313 1 790 . 77 LEU H H 7.7 0.007 1 791 . 77 LEU HA H 3.73 0.007 1 792 . 77 LEU HB2 H 1.25 0.007 1 793 . 77 LEU HB3 H 1.25 0.007 1 794 . 77 LEU HG H 1.25 0.007 1 795 . 77 LEU HD1 H 0.77 0.007 2 796 . 77 LEU HD2 H 0.74 0.007 2 797 . 77 LEU C C 177.79 0.293 1 798 . 77 LEU CA C 59.03 0.293 1 799 . 77 LEU CB C 41.19 0.293 1 800 . 77 LEU CG C 24.98 0.293 1 801 . 77 LEU CD1 C 21.5 0.293 2 802 . 77 LEU CD2 C 21.23 0.293 2 803 . 77 LEU N N 118.05 0.313 1 804 . 78 VAL H H 8.36 0.007 1 805 . 78 VAL HA H 3.83 0.007 1 806 . 78 VAL HB H 1.25 0.007 1 807 . 78 VAL HG1 H 0.82 0.007 2 808 . 78 VAL HG2 H 0.81 0.007 2 809 . 78 VAL C C 178.51 0.293 1 810 . 78 VAL CA C 64.28 0.293 1 811 . 78 VAL CB C 27.59 0.293 1 812 . 78 VAL CG1 C 18.92 0.293 2 813 . 78 VAL CG2 C 18.9 0.293 2 814 . 78 VAL N N 116.61 0.313 1 815 . 79 ASN H H 8.39 0.007 1 816 . 79 ASN HA H 3.94 0.007 1 817 . 79 ASN HB2 H 2.81 0.007 1 818 . 79 ASN HB3 H 2.81 0.007 1 819 . 79 ASN HD21 H 7.1 0.007 1 820 . 79 ASN HD22 H 6.52 0.007 1 821 . 79 ASN C C 179.03 0.293 1 822 . 79 ASN CA C 54.52 0.293 1 823 . 79 ASN CB C 37.01 0.293 1 824 . 79 ASN N N 121.77 0.313 1 825 . 80 TYR H H 7.8 0.007 1 826 . 80 TYR HA H 4.39 0.007 1 827 . 80 TYR HB2 H 2.8 0.007 1 828 . 80 TYR HB3 H 2.8 0.007 1 829 . 80 TYR C C 177.79 0.293 1 830 . 80 TYR CA C 58.52 0.293 1 831 . 80 TYR CB C 39.51 0.293 1 832 . 80 TYR N N 122.97 0.313 1 833 . 81 HIS H H 7.94 0.007 1 834 . 81 HIS HA H 4.52 0.007 1 835 . 81 HIS HB2 H 3.12 0.007 1 836 . 81 HIS HB3 H 3.12 0.007 1 837 . 81 HIS HD2 H 6.93 0.007 1 838 . 81 HIS HE1 H 7.62 0.007 1 839 . 81 HIS C C 177.79 0.293 1 840 . 81 HIS CA C 58.77 0.293 1 841 . 81 HIS CB C 33.54 0.293 1 842 . 81 HIS N N 117.31 0.313 1 843 . 82 ARG H H 8.01 0.007 1 844 . 82 ARG HA H 4.39 0.007 1 845 . 82 ARG HB2 H 1.69 0.007 1 846 . 82 ARG HB3 H 1.69 0.007 1 847 . 82 ARG HG2 H 1.47 0.007 1 848 . 82 ARG HG3 H 1.47 0.007 1 849 . 82 ARG HD2 H 3.11 0.007 1 850 . 82 ARG HD3 H 3.11 0.007 1 851 . 82 ARG C C 178.05 0.293 1 852 . 82 ARG CA C 58.74 0.293 1 853 . 82 ARG CB C 27.54 0.293 1 854 . 82 ARG CG C 25.19 0.293 1 855 . 82 ARG CD C 40.37 0.293 1 856 . 82 ARG N N 118.59 0.313 1 857 . 83 ALA H H 8.6 0.007 1 858 . 83 ALA HA H 3.84 0.007 1 859 . 83 ALA HB H 1.58 0.007 1 860 . 83 ALA C C 179.43 0.293 1 861 . 83 ALA CA C 56.52 0.293 1 862 . 83 ALA CB C 17.82 0.293 1 863 . 83 ALA N N 125.87 0.313 1 864 . 84 GLN H H 9.74 0.007 1 865 . 84 GLN HA H 4.66 0.007 1 866 . 84 GLN HB2 H 2.11 0.007 1 867 . 84 GLN HB3 H 2.11 0.007 1 868 . 84 GLN HG2 H 2.45 0.007 1 869 . 84 GLN HG3 H 2.45 0.007 1 870 . 84 GLN HE21 H 7.65 0.007 1 871 . 84 GLN HE22 H 6.93 0.007 1 872 . 84 GLN C C 176.36 0.293 1 873 . 84 GLN CA C 52.74 0.293 1 874 . 84 GLN CB C 30.36 0.293 1 875 . 84 GLN CG C 33.98 0.293 1 876 . 84 GLN N N 123.78 0.313 1 877 . 85 SER H H 7.97 0.007 1 878 . 85 SER HA H 4.49 0.007 1 879 . 85 SER HB2 H 3.35 0.007 1 880 . 85 SER HB3 H 3.35 0.007 1 881 . 85 SER C C 176.67 0.293 1 882 . 85 SER CA C 56.26 0.293 1 883 . 85 SER CB C 64.35 0.293 1 884 . 85 SER N N 118.88 0.313 1 885 . 86 LEU H H 8.48 0.007 1 886 . 86 LEU HA H 4.53 0.007 1 887 . 86 LEU HB2 H 2.22 0.007 1 888 . 86 LEU HB3 H 2.22 0.007 1 889 . 86 LEU HG H 2.12 0.007 1 890 . 86 LEU HD1 H 0.98 0.007 2 891 . 86 LEU HD2 H 0.93 0.007 2 892 . 86 LEU C C 175.57 0.293 1 893 . 86 LEU CA C 57.53 0.293 1 894 . 86 LEU CB C 41.52 0.293 1 895 . 86 LEU CG C 25.19 0.293 1 896 . 86 LEU CD1 C 22.39 0.293 2 897 . 86 LEU CD2 C 21.09 0.293 2 898 . 86 LEU N N 124.98 0.313 1 899 . 87 SER H H 5.79 0.007 1 900 . 87 SER HA H 4.52 0.007 1 901 . 87 SER HB2 H 3.48 0.007 1 902 . 87 SER HB3 H 3.48 0.007 1 903 . 87 SER C C 176.82 0.293 1 904 . 87 SER CA C 52.52 0.293 1 905 . 87 SER CB C 64.94 0.293 1 906 . 87 SER N N 108.06 0.313 1 907 . 88 HIS H H 9.32 0.007 1 908 . 88 HIS HA H 4.52 0.007 1 909 . 88 HIS HB2 H 3.22 0.007 1 910 . 88 HIS HB3 H 3.22 0.007 1 911 . 88 HIS HD2 H 7.01 0.007 1 912 . 88 HIS HE1 H 8.02 0.007 1 913 . 88 HIS C C 176.03 0.293 1 914 . 88 HIS CA C 58.03 0.293 1 915 . 88 HIS CB C 31.54 0.293 1 916 . 88 HIS N N 126.09 0.313 1 917 . 89 GLY H H 8.52 0.007 1 918 . 89 GLY HA2 H 4.62 0.007 1 919 . 89 GLY HA3 H 4.62 0.007 1 920 . 89 GLY C C 174.13 0.293 1 921 . 89 GLY CA C 45.13 0.293 1 922 . 89 GLY N N 106.62 0.313 1 923 . 90 LEU H H 7.95 0.007 1 924 . 90 LEU HA H 3.98 0.007 1 925 . 90 LEU HB2 H 1.8 0.007 1 926 . 90 LEU HB3 H 1.8 0.007 1 927 . 90 LEU HG H 1.56 0.007 1 928 . 90 LEU HD1 H 0.88 0.007 1 929 . 90 LEU HD2 H 0.88 0.007 1 930 . 90 LEU C C 176.95 0.293 1 931 . 90 LEU CA C 52.73 0.293 1 932 . 90 LEU CB C 44.43 0.293 1 933 . 90 LEU CG C 24.61 0.293 1 934 . 90 LEU CD1 C 20.5 0.293 1 935 . 90 LEU CD2 C 20.5 0.293 1 936 . 90 LEU N N 124.29 0.313 1 937 . 91 ARG H H 7.34 0.007 1 938 . 91 ARG HA H 4.69 0.007 1 939 . 91 ARG HB2 H 1.92 0.007 1 940 . 91 ARG HB3 H 1.92 0.007 1 941 . 91 ARG HG2 H 1.81 0.007 1 942 . 91 ARG HG3 H 1.81 0.007 1 943 . 91 ARG HD2 H 3.01 0.007 1 944 . 91 ARG HD3 H 3.01 0.007 1 945 . 91 ARG C C 176.3 0.293 1 946 . 91 ARG CA C 50.52 0.293 1 947 . 91 ARG CB C 29.05 0.293 1 948 . 91 ARG CG C 22.26 0.293 1 949 . 91 ARG CD C 40.43 0.293 1 950 . 91 ARG N N 120.65 0.313 1 951 . 92 LEU H H 8.26 0.007 1 952 . 92 LEU HA H 4.31 0.007 1 953 . 92 LEU HB2 H 1.64 0.007 1 954 . 92 LEU HB3 H 1.64 0.007 1 955 . 92 LEU HG H 1.53 0.007 1 956 . 92 LEU HD1 H 0.72 0.007 1 957 . 92 LEU HD2 H 0.72 0.007 1 958 . 92 LEU C C 178.85 0.293 1 959 . 92 LEU CA C 61.03 0.293 1 960 . 92 LEU CB C 44.43 0.293 1 961 . 92 LEU CG C 26.36 0.293 1 962 . 92 LEU CD1 C 21.43 0.293 1 963 . 92 LEU CD2 C 21.43 0.293 1 964 . 92 LEU N N 119.33 0.313 1 965 . 93 ALA H H 8.86 0.007 1 966 . 93 ALA HA H 4.2 0.007 1 967 . 93 ALA HB H 1.25 0.007 1 968 . 93 ALA C C 177.02 0.293 1 969 . 93 ALA CA C 53.27 0.293 1 970 . 93 ALA CB C 18.57 0.293 1 971 . 93 ALA N N 125.64 0.313 1 972 . 94 ALA H H 8.79 0.007 1 973 . 94 ALA HA H 4.53 0.007 1 974 . 94 ALA HB H 1.36 0.007 1 975 . 94 ALA C C 174.61 0.293 1 976 . 94 ALA CA C 51.52 0.293 1 977 . 94 ALA CB C 18.55 0.293 1 978 . 94 ALA N N 125.93 0.313 1 979 . 95 PRO HA H 4.64 0.007 1 980 . 95 PRO HB2 H 2.42 0.007 1 981 . 95 PRO HB3 H 2.42 0.007 1 982 . 95 PRO HG2 H 2.21 0.007 1 983 . 95 PRO HG3 H 2.21 0.007 1 984 . 95 PRO HD2 H 3.54 0.007 1 985 . 95 PRO HD3 H 3.54 0.007 1 986 . 95 PRO C C 174.32 0.293 1 987 . 95 PRO CA C 57.49 0.293 1 988 . 95 PRO CB C 33.98 0.293 1 989 . 95 PRO CG C 27.54 0.293 1 990 . 95 PRO CD C 49.98 0.293 1 991 . 96 CYS H H 7.17 0.007 1 992 . 96 CYS HA H 3.87 0.007 1 993 . 96 CYS HB2 H 2.14 0.007 1 994 . 96 CYS HB3 H 2.14 0.007 1 995 . 96 CYS C C 178.48 0.293 1 996 . 96 CYS CA C 58.78 0.293 1 997 . 96 CYS CB C 29.01 0.293 1 998 . 96 CYS N N 116.06 0.313 1 999 . 97 ARG H H 8.69 0.007 1 1000 . 97 ARG HA H 4.31 0.007 1 1001 . 97 ARG HB2 H 2.12 0.007 1 1002 . 97 ARG HB3 H 2.12 0.007 1 1003 . 97 ARG HG2 H 1.69 0.007 1 1004 . 97 ARG HG3 H 1.69 0.007 1 1005 . 97 ARG HD2 H 2.89 0.007 1 1006 . 97 ARG HD3 H 2.89 0.007 1 1007 . 97 ARG C C 175.46 0.293 1 1008 . 97 ARG CA C 56.53 0.293 1 1009 . 97 ARG CB C 32.98 0.293 1 1010 . 97 ARG CG C 24.61 0.293 1 1011 . 97 ARG CD C 41.01 0.293 1 1012 . 97 ARG N N 118.63 0.313 1 1013 . 98 LYS H H 8.82 0.007 1 1014 . 98 LYS HA H 4.25 0.007 1 1015 . 98 LYS HB2 H 1.58 0.007 1 1016 . 98 LYS HB3 H 1.58 0.007 1 1017 . 98 LYS HG2 H 1.25 0.007 1 1018 . 98 LYS HG3 H 1.25 0.007 1 1019 . 98 LYS HD2 H 1.53 0.007 1 1020 . 98 LYS HD3 H 1.53 0.007 1 1021 . 98 LYS HE2 H 3.33 0.007 1 1022 . 98 LYS HE3 H 3.33 0.007 1 1023 . 98 LYS C C 175.57 0.293 1 1024 . 98 LYS CA C 59.53 0.293 1 1025 . 98 LYS CB C 33.27 0.293 1 1026 . 98 LYS CG C 25.26 0.293 1 1027 . 98 LYS CD C 30.54 0.293 1 1028 . 98 LYS CE C 43.01 0.293 1 1029 . 98 LYS N N 121.42 0.313 1 1030 . 99 HIS H H 7.05 0.007 1 1031 . 99 HIS HA H 4.64 0.007 1 1032 . 99 HIS HB2 H 3.67 0.007 1 1033 . 99 HIS HB3 H 3.67 0.007 1 1034 . 99 HIS HD2 H 6.81 0.007 1 1035 . 99 HIS HE1 H 7.43 0.007 1 1036 . 99 HIS C C 177.03 0.293 1 1037 . 99 HIS CA C 61.03 0.293 1 1038 . 99 HIS CB C 31.54 0.293 1 1039 . 99 HIS N N 125.56 0.313 1 1040 . 100 GLU H H 6.92 0.007 1 1041 . 100 GLU HA H 4.36 0.007 1 1042 . 100 GLU HB2 H 1.25 0.007 1 1043 . 100 GLU HB3 H 1.25 0.007 1 1044 . 100 GLU HG2 H 1.75 0.007 1 1045 . 100 GLU HG3 H 1.75 0.007 1 1046 . 100 GLU C C 175.13 0.293 1 1047 . 100 GLU CA C 61.52 0.293 1 1048 . 100 GLU CB C 30.95 0.293 1 1049 . 100 GLU CG C 37.05 0.293 1 1050 . 100 GLU N N 119.2 0.313 1 stop_ save_