data_7086 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignment of hypothetical protein tm1012 ; _BMRB_accession_number 7086 _BMRB_flat_file_name bmr7086.str _Entry_type original _Submission_date 2006-04-24 _Accession_date 2006-04-24 _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 Wu Bin . . 2 Yee Adelina . . 3 Lukin Jonathan . . 4 Lemak Alexander . . 5 Ramelot Theresa . . 6 Semesi Anthony . . 7 Kennedy Michael . . 8 Arrowsmith Cheryl H. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 921 "13C chemical shifts" 663 "15N chemical shifts" 147 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-10-20 original author . stop_ _Original_release_date 2006-10-20 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Assignment of hypothetical protein tm1012 from Thermotoga maritima/ Northeast Structural Genomics Consortium Target VT128/ Ontario Center for Structural Proteomics Target tm1012 ; _Citation_status published _Citation_type 'BMRB only' _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wu Bin . . 2 Yee Adelina . . 3 Lukin Jonathan . . 4 Lemak Alexander . . 5 Ramelot Theresa . . 6 Semesi Anthony . . 7 Kennedy Michael . . 8 Arrowsmith Cheryl H. . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . loop_ _Keyword 'hypothetical protein tm1012' stop_ save_ ################################## # Molecular system description # ################################## save_system_tm1012 _Saveframe_category molecular_system _Mol_system_name 'hypothetical protein tm1012' _Abbreviation_common tm1012 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label tm1012 $tm1012 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function 'hypothetical protein' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_tm1012 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'hypothetical protein tm1012' _Abbreviation_common tm1012 _Molecular_mass 18630 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 158 _Mol_residue_sequence ; MIRPEYLRVLRKIYDRLKNE KVNWVVTGSLSFALQGVPVE VHDIDIQTDEEGAYEIERIF SEFVSKKVRFSSTEKICSHF GELIIDGIKVEIMGDIRKRL EDGTWEDPVDLNKYKRFVET HGMKIPVLSLEYEYQAYLKL GRVEKAETLRKWLNERKG ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ILE 3 ARG 4 PRO 5 GLU 6 TYR 7 LEU 8 ARG 9 VAL 10 LEU 11 ARG 12 LYS 13 ILE 14 TYR 15 ASP 16 ARG 17 LEU 18 LYS 19 ASN 20 GLU 21 LYS 22 VAL 23 ASN 24 TRP 25 VAL 26 VAL 27 THR 28 GLY 29 SER 30 LEU 31 SER 32 PHE 33 ALA 34 LEU 35 GLN 36 GLY 37 VAL 38 PRO 39 VAL 40 GLU 41 VAL 42 HIS 43 ASP 44 ILE 45 ASP 46 ILE 47 GLN 48 THR 49 ASP 50 GLU 51 GLU 52 GLY 53 ALA 54 TYR 55 GLU 56 ILE 57 GLU 58 ARG 59 ILE 60 PHE 61 SER 62 GLU 63 PHE 64 VAL 65 SER 66 LYS 67 LYS 68 VAL 69 ARG 70 PHE 71 SER 72 SER 73 THR 74 GLU 75 LYS 76 ILE 77 CYS 78 SER 79 HIS 80 PHE 81 GLY 82 GLU 83 LEU 84 ILE 85 ILE 86 ASP 87 GLY 88 ILE 89 LYS 90 VAL 91 GLU 92 ILE 93 MET 94 GLY 95 ASP 96 ILE 97 ARG 98 LYS 99 ARG 100 LEU 101 GLU 102 ASP 103 GLY 104 THR 105 TRP 106 GLU 107 ASP 108 PRO 109 VAL 110 ASP 111 LEU 112 ASN 113 LYS 114 TYR 115 LYS 116 ARG 117 PHE 118 VAL 119 GLU 120 THR 121 HIS 122 GLY 123 MET 124 LYS 125 ILE 126 PRO 127 VAL 128 LEU 129 SER 130 LEU 131 GLU 132 TYR 133 GLU 134 TYR 135 GLN 136 ALA 137 TYR 138 LEU 139 LYS 140 LEU 141 GLY 142 ARG 143 VAL 144 GLU 145 LYS 146 ALA 147 GLU 148 THR 149 LEU 150 ARG 151 LYS 152 TRP 153 LEU 154 ASN 155 GLU 156 ARG 157 LYS 158 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2EWR "Crystal Structure Of A Putative Nucleotidyltransferase (Tm1012) From Thermotoga Maritima At 1.60 A Resolution" 99.37 170 98.73 98.73 5.09e-106 PDB 4HX0 "Crystal Structure Of A Putative Nucleotidyltransferase (tm1012) From Thermotoga Maritima At 1.87 A Resolution" 100.00 163 100.00 100.00 3.64e-109 GB AAD36089 "hypothetical protein TM_1012 [Thermotoga maritima MSB8]" 100.00 158 100.00 100.00 3.07e-109 GB ACB10124 "conserved hypothetical protein [Thermotoga sp. RQ2]" 100.00 158 100.00 100.00 3.07e-109 GB ACM23742 "Putative uncharacterized protein [Thermotoga neapolitana DSM 4359]" 100.00 158 100.00 100.00 3.07e-109 GB AGL49939 "hypothetical protein Tmari_1015 [Thermotoga maritima MSB8]" 100.00 158 100.00 100.00 3.07e-109 GB AHD19079 "hypothetical protein THEMA_09295 [Thermotoga maritima MSB8]" 100.00 158 100.00 100.00 3.07e-109 REF NP_228818 "hypothetical protein TM1012 [Thermotoga maritima MSB8]" 100.00 158 100.00 100.00 3.07e-109 REF WP_004080525 "MULTISPECIES: hypothetical protein [Thermotoga]" 100.00 158 100.00 100.00 3.07e-109 REF YP_001739807 "hypothetical protein TRQ2_1793 [Thermotoga sp. RQ2]" 100.00 158 100.00 100.00 3.07e-109 REF YP_002535108 "hypothetical protein CTN_1566 [Thermotoga neapolitana DSM 4359]" 100.00 158 100.00 100.00 3.07e-109 REF YP_007977364 "hypothetical protein Tmari_1015 [Thermotoga maritima MSB8]" 100.00 158 100.00 100.00 3.07e-109 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $tm1012 'Thermotoga maritima' 2303 Bacteria . thermotoga maritima stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $tm1012 'recombinant technology' 'E. coli' Escherichia coli 'BL21 (DE3)' plasmid PET15B 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 $tm1012 1 mM '[U-13C; U-15N]' NaCl 500 mM . Tris 10 mM . stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.95 loop_ _Task assignemt 'spectral analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '15N HSQC' _Sample_label . save_ save_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_CBCAcoNH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCAcoNH _Sample_label . save_ save_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HNcoCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNcoCA _Sample_label . save_ save_HBHAcoNH_7 _Saveframe_category NMR_applied_experiment _Experiment_name HBHAcoNH _Sample_label . save_ save_CCTOCSY_NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name 'CCTOCSY NH' _Sample_label . save_ save_HCCTOCSY_NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name 'HCCTOCSY NH' _Sample_label . save_ save_13C_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '13C HSQC' _Sample_label . save_ save_HCCHTOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name HCCHTOCSY _Sample_label . save_ save_HCCHCOSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name HCCHCOSY _Sample_label . save_ save_CCHTOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name CCHTOCSY _Sample_label . save_ save_15N_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '15N NOESY' _Sample_label . save_ save_13C_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '13C NOESY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCAcoNH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _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 HNcoCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HBHAcoNH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name 'CCTOCSY NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name 'HCCTOCSY NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name '13C HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name HCCHTOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name HCCHCOSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name CCHTOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_14 _Saveframe_category NMR_applied_experiment _Experiment_name '15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_15 _Saveframe_category NMR_applied_experiment _Experiment_name '13C NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_cond_set1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.50 . M pH 7.7 0.2 pH temperature 298 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.0 . 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '15N HSQC' HNCO CBCAcoNH HNCACB HNCA HNcoCA HBHAcoNH 'CCTOCSY NH' 'HCCTOCSY NH' '13C HSQC' HCCHTOCSY HCCHCOSY CCHTOCSY '15N NOESY' '13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $cond_set1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name tm1012 _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 . 4 PRO CD C 50.9 0.3 1 2 . 4 PRO CA C 65.4 0.3 1 3 . 4 PRO HA H 4.15 0.03 1 4 . 4 PRO CB C 32.2 0.3 1 5 . 4 PRO HB2 H 2.44 0.03 2 6 . 4 PRO HB3 H 1.99 0.03 2 7 . 4 PRO CG C 28.1 0.3 1 8 . 4 PRO HG2 H 2.19 0.03 2 9 . 4 PRO HG3 H 2.14 0.03 2 10 . 4 PRO HD2 H 3.90 0.03 2 11 . 4 PRO HD3 H 3.83 0.03 2 12 . 4 PRO C C 178.8 0.3 1 13 . 5 GLU N N 118.6 0.3 1 14 . 5 GLU H H 10.58 0.03 1 15 . 5 GLU CA C 59.4 0.3 1 16 . 5 GLU HA H 3.96 0.03 1 17 . 5 GLU CB C 28.1 0.3 1 18 . 5 GLU HB2 H 1.95 0.03 2 19 . 5 GLU HB3 H 1.76 0.03 2 20 . 5 GLU CG C 36.0 0.3 1 21 . 5 GLU HG2 H 2.13 0.03 2 22 . 5 GLU HG3 H 2.03 0.03 2 23 . 5 GLU C C 178.8 0.3 1 24 . 6 TYR N N 117.7 0.3 1 25 . 6 TYR H H 7.47 0.03 1 26 . 6 TYR CA C 61.8 0.3 1 27 . 6 TYR HA H 3.90 0.03 1 28 . 6 TYR CB C 38.3 0.3 1 29 . 6 TYR HB2 H 2.94 0.03 2 30 . 6 TYR HB3 H 2.68 0.03 2 31 . 6 TYR HD1 H 6.90 0.03 1 32 . 6 TYR HD2 H 6.90 0.03 1 33 . 6 TYR HE1 H 6.66 0.03 1 34 . 6 TYR HE2 H 6.66 0.03 1 35 . 6 TYR CD1 C 131.7 0.3 1 36 . 6 TYR C C 177.7 0.3 1 37 . 7 LEU N N 119.5 0.3 1 38 . 7 LEU H H 7.07 0.03 1 39 . 7 LEU CA C 57.0 0.3 1 40 . 7 LEU HA H 4.00 0.03 1 41 . 7 LEU CB C 41.1 0.3 1 42 . 7 LEU HB2 H 1.70 0.03 2 43 . 7 LEU HB3 H 1.32 0.03 2 44 . 7 LEU CG C 27.2 0.3 1 45 . 7 LEU HG H 1.41 0.03 1 46 . 7 LEU HD1 H 0.54 0.03 2 47 . 7 LEU HD2 H 0.52 0.03 2 48 . 7 LEU CD1 C 24.9 0.3 1 49 . 7 LEU CD2 C 23.0 0.3 1 50 . 7 LEU C C 179.2 0.3 1 51 . 8 ARG N N 119.3 0.3 1 52 . 8 ARG H H 8.15 0.03 1 53 . 8 ARG CA C 59.8 0.3 1 54 . 8 ARG HA H 4.04 0.03 1 55 . 8 ARG CB C 30.6 0.3 1 56 . 8 ARG HB2 H 1.90 0.03 2 57 . 8 ARG HB3 H 1.83 0.03 2 58 . 8 ARG CG C 28.4 0.3 1 59 . 8 ARG HG2 H 1.78 0.03 2 60 . 8 ARG HG3 H 1.57 0.03 2 61 . 8 ARG CD C 43.7 0.3 1 62 . 8 ARG HD2 H 3.29 0.03 2 63 . 8 ARG HD3 H 3.17 0.03 2 64 . 8 ARG C C 179.6 0.3 1 65 . 9 VAL N N 120.2 0.3 1 66 . 9 VAL H H 7.32 0.03 1 67 . 9 VAL CA C 66.9 0.3 1 68 . 9 VAL HA H 3.46 0.03 1 69 . 9 VAL CB C 31.6 0.3 1 70 . 9 VAL HB H 1.81 0.03 1 71 . 9 VAL HG1 H 0.97 0.03 2 72 . 9 VAL HG2 H 0.64 0.03 2 73 . 9 VAL CG1 C 24.9 0.3 1 74 . 9 VAL CG2 C 22.4 0.3 1 75 . 9 VAL C C 177.2 0.3 1 76 . 10 LEU N N 120.1 0.3 1 77 . 10 LEU H H 8.28 0.03 1 78 . 10 LEU CA C 57.9 0.3 1 79 . 10 LEU HA H 4.01 0.03 1 80 . 10 LEU CB C 42.0 0.3 1 81 . 10 LEU HB2 H 2.01 0.03 2 82 . 10 LEU HB3 H 1.56 0.03 2 83 . 10 LEU CG C 27.3 0.3 1 84 . 10 LEU HG H 1.77 0.03 1 85 . 10 LEU HD1 H 0.96 0.03 2 86 . 10 LEU HD2 H 1.08 0.03 2 87 . 10 LEU CD1 C 26.8 0.3 1 88 . 10 LEU CD2 C 22.8 0.3 1 89 . 10 LEU C C 177.6 0.3 1 90 . 11 ARG N N 118.1 0.3 1 91 . 11 ARG H H 8.09 0.03 1 92 . 11 ARG CA C 58.8 0.3 1 93 . 11 ARG HA H 4.49 0.03 1 94 . 11 ARG CB C 29.3 0.3 1 95 . 11 ARG HB2 H 2.05 0.03 1 96 . 11 ARG HB3 H 2.05 0.03 1 97 . 11 ARG CG C 27.2 0.3 1 98 . 11 ARG HG2 H 1.85 0.03 1 99 . 11 ARG HG3 H 1.85 0.03 1 100 . 11 ARG CD C 43.2 0.3 1 101 . 11 ARG HD2 H 3.45 0.03 2 102 . 11 ARG HD3 H 3.39 0.03 2 103 . 11 ARG C C 177.5 0.3 1 104 . 12 LYS N N 119.4 0.3 1 105 . 12 LYS H H 7.51 0.03 1 106 . 12 LYS CA C 59.7 0.3 1 107 . 12 LYS HA H 4.22 0.03 1 108 . 12 LYS CB C 32.4 0.3 1 109 . 12 LYS HB2 H 2.02 0.03 2 110 . 12 LYS HB3 H 1.82 0.03 2 111 . 12 LYS CG C 26.6 0.3 1 112 . 12 LYS HG2 H 1.79 0.03 2 113 . 12 LYS HG3 H 1.41 0.03 2 114 . 12 LYS CE C 41.8 0.3 1 115 . 12 LYS HE2 H 2.91 0.03 1 116 . 12 LYS HE3 H 2.91 0.03 1 117 . 12 LYS C C 179.9 0.3 1 118 . 13 ILE N N 118.9 0.3 1 119 . 13 ILE H H 7.96 0.03 1 120 . 13 ILE CA C 63.6 0.3 1 121 . 13 ILE HA H 3.92 0.03 1 122 . 13 ILE CB C 38.9 0.3 1 123 . 13 ILE HB H 1.87 0.03 1 124 . 13 ILE HG2 H 0.25 0.03 1 125 . 13 ILE CG2 C 16.9 0.3 1 126 . 13 ILE CG1 C 28.2 0.3 1 127 . 13 ILE HG12 H 1.51 0.03 2 128 . 13 ILE HG13 H 0.11 0.03 2 129 . 13 ILE HD1 H 0.45 0.03 1 130 . 13 ILE CD1 C 14.7 0.3 1 131 . 13 ILE C C 177.3 0.3 1 132 . 14 TYR N N 120.9 0.3 1 133 . 14 TYR H H 9.29 0.03 1 134 . 14 TYR CA C 61.7 0.3 1 135 . 14 TYR HA H 4.10 0.03 1 136 . 14 TYR CB C 40.3 0.3 1 137 . 14 TYR HB2 H 3.38 0.03 2 138 . 14 TYR HB3 H 3.21 0.03 2 139 . 14 TYR HD1 H 7.36 0.03 1 140 . 14 TYR HD2 H 7.36 0.03 1 141 . 14 TYR CD1 C 133.9 0.3 1 142 . 14 TYR C C 177.9 0.3 1 143 . 15 ASP N N 117.5 0.3 1 144 . 15 ASP H H 9.29 0.03 1 145 . 15 ASP CA C 57.3 0.3 1 146 . 15 ASP HA H 4.37 0.03 1 147 . 15 ASP CB C 40.3 0.3 1 148 . 15 ASP HB2 H 2.91 0.03 2 149 . 15 ASP HB3 H 2.66 0.03 2 150 . 15 ASP C C 179.2 0.3 1 151 . 16 ARG N N 115.5 0.3 1 152 . 16 ARG H H 7.34 0.03 1 153 . 16 ARG CA C 57.9 0.3 1 154 . 16 ARG HA H 4.30 0.03 1 155 . 16 ARG CB C 30.5 0.3 1 156 . 16 ARG HB2 H 1.80 0.03 2 157 . 16 ARG HB3 H 1.42 0.03 2 158 . 16 ARG CG C 27.7 0.3 1 159 . 16 ARG HG2 H 1.77 0.03 2 160 . 16 ARG HG3 H 1.47 0.03 2 161 . 16 ARG CD C 42.9 0.3 1 162 . 16 ARG HD2 H 2.76 0.03 2 163 . 16 ARG HD3 H 2.32 0.03 2 164 . 16 ARG C C 178.0 0.3 1 165 . 17 LEU N N 116.2 0.3 1 166 . 17 LEU H H 7.75 0.03 1 167 . 17 LEU CA C 55.7 0.3 1 168 . 17 LEU HA H 4.21 0.03 1 169 . 17 LEU CB C 41.5 0.3 1 170 . 17 LEU HB2 H 1.39 0.03 2 171 . 17 LEU HB3 H 1.24 0.03 2 172 . 17 LEU CG C 26.4 0.3 1 173 . 17 LEU HG H 1.53 0.03 1 174 . 17 LEU HD1 H 0.57 0.03 2 175 . 17 LEU HD2 H -0.69 0.03 2 176 . 17 LEU CD1 C 24.3 0.3 1 177 . 17 LEU CD2 C 23.0 0.3 1 178 . 17 LEU C C 179.6 0.3 1 179 . 18 LYS N N 121.3 0.3 1 180 . 18 LYS H H 8.21 0.03 1 181 . 18 LYS CA C 59.4 0.3 1 182 . 18 LYS HA H 4.16 0.03 1 183 . 18 LYS CB C 31.3 0.3 1 184 . 18 LYS HB2 H 1.74 0.03 2 185 . 18 LYS HB3 H 1.34 0.03 2 186 . 18 LYS CG C 24.2 0.3 1 187 . 18 LYS HG2 H 1.40 0.03 2 188 . 18 LYS HG3 H 1.18 0.03 2 189 . 18 LYS CD C 30.0 0.3 1 190 . 18 LYS HD2 H 1.66 0.03 2 191 . 18 LYS HD3 H 1.53 0.03 2 192 . 18 LYS CE C 42.2 0.3 1 193 . 18 LYS HE2 H 3.08 0.03 1 194 . 18 LYS HE3 H 3.08 0.03 1 195 . 18 LYS C C 177.0 0.3 1 196 . 19 ASN N N 116.1 0.3 1 197 . 19 ASN H H 8.37 0.03 1 198 . 19 ASN CA C 53.0 0.3 1 199 . 19 ASN HA H 5.10 0.03 1 200 . 19 ASN CB C 39.1 0.3 1 201 . 19 ASN HB2 H 3.08 0.03 2 202 . 19 ASN HB3 H 2.68 0.03 2 203 . 19 ASN C C 175.0 0.3 1 204 . 20 GLU N N 118.6 0.3 1 205 . 20 GLU H H 7.68 0.03 1 206 . 20 GLU CA C 54.6 0.3 1 207 . 20 GLU HA H 4.65 0.03 1 208 . 20 GLU CB C 31.0 0.3 1 209 . 20 GLU HB2 H 1.78 0.03 1 210 . 20 GLU HB3 H 1.78 0.03 1 211 . 20 GLU CG C 35.0 0.3 1 212 . 20 GLU HG2 H 2.29 0.03 1 213 . 20 GLU HG3 H 2.29 0.03 1 214 . 21 LYS CA C 63.1 0.3 1 215 . 21 LYS HA H 4.55 0.03 1 216 . 21 LYS CB C 31.3 0.3 1 217 . 21 LYS HB2 H 1.97 0.03 2 218 . 21 LYS HB3 H 1.76 0.03 2 219 . 21 LYS CG C 25.2 0.3 1 220 . 21 LYS HG2 H 1.49 0.03 2 221 . 21 LYS HG3 H 1.42 0.03 2 222 . 21 LYS CD C 29.4 0.3 1 223 . 21 LYS HD2 H 1.71 0.03 1 224 . 21 LYS HD3 H 1.71 0.03 1 225 . 21 LYS CE C 42.0 0.3 1 226 . 21 LYS HE2 H 3.03 0.03 1 227 . 21 LYS HE3 H 3.03 0.03 1 228 . 21 LYS C C 175.8 0.3 1 229 . 22 VAL N N 121.7 0.3 1 230 . 22 VAL H H 7.50 0.03 1 231 . 22 VAL CA C 61.4 0.3 1 232 . 22 VAL HA H 4.03 0.03 1 233 . 22 VAL CB C 34.8 0.3 1 234 . 22 VAL HB H 1.91 0.03 1 235 . 22 VAL CG1 C 22.4 0.3 1 236 . 22 VAL HG1 H 0.91 0.03 1 237 . 22 VAL HG2 H 0.91 0.03 1 238 . 22 VAL C C 174.8 0.3 1 239 . 23 ASN N N 129.4 0.3 1 240 . 23 ASN H H 9.79 0.03 1 241 . 23 ASN CA C 51.9 0.3 1 242 . 23 ASN HA H 4.96 0.03 1 243 . 23 ASN CB C 38.1 0.3 1 244 . 23 ASN HB2 H 3.11 0.03 2 245 . 23 ASN HB3 H 2.82 0.03 2 246 . 23 ASN ND2 N 109.6 0.3 1 247 . 23 ASN HD21 H 7.66 0.03 2 248 . 23 ASN HD22 H 6.25 0.03 2 249 . 23 ASN C C 173.3 0.3 1 250 . 24 TRP N N 123.0 0.3 1 251 . 24 TRP H H 7.92 0.03 1 252 . 24 TRP CA C 54.3 0.3 1 253 . 24 TRP HA H 5.67 0.03 1 254 . 24 TRP CB C 31.5 0.3 1 255 . 24 TRP HB2 H 3.12 0.03 2 256 . 24 TRP HB3 H 2.90 0.03 2 257 . 24 TRP CD1 C 126.4 0.3 1 258 . 24 TRP NE1 N 131.3 0.3 1 259 . 24 TRP HD1 H 7.53 0.03 1 260 . 24 TRP CZ2 C 113.6 0.3 1 261 . 24 TRP HE1 H 10.39 0.03 1 262 . 24 TRP HZ2 H 7.55 0.03 1 263 . 24 TRP C C 173.1 0.3 1 264 . 25 VAL N N 110.5 0.3 1 265 . 25 VAL H H 8.90 0.03 1 266 . 25 VAL CA C 58.6 0.3 1 267 . 25 VAL HA H 4.02 0.03 1 268 . 25 VAL CB C 36.0 0.3 1 269 . 25 VAL HB H 1.81 0.03 1 270 . 25 VAL HG1 H 0.58 0.03 2 271 . 25 VAL HG2 H 0.69 0.03 2 272 . 25 VAL CG1 C 24.2 0.3 1 273 . 25 VAL CG2 C 20.8 0.3 1 274 . 25 VAL C C 174.4 0.3 1 275 . 26 VAL N N 123.8 0.3 1 276 . 26 VAL H H 8.86 0.03 1 277 . 26 VAL CA C 62.6 0.3 1 278 . 26 VAL HA H 4.71 0.03 1 279 . 26 VAL CB C 32.4 0.3 1 280 . 26 VAL HB H 2.00 0.03 1 281 . 26 VAL HG1 H 1.08 0.03 2 282 . 26 VAL HG2 H 1.07 0.03 2 283 . 26 VAL CG1 C 24.1 0.3 1 284 . 26 VAL CG2 C 22.9 0.3 1 285 . 26 VAL C C 175.5 0.3 1 286 . 27 THR N N 119.0 0.3 1 287 . 27 THR H H 8.39 0.03 1 288 . 27 THR CA C 59.5 0.3 1 289 . 27 THR HA H 4.93 0.03 1 290 . 27 THR CB C 69.8 0.3 1 291 . 27 THR HB H 4.31 0.03 1 292 . 27 THR HG2 H 1.12 0.03 1 293 . 27 THR CG2 C 22.2 0.3 1 294 . 27 THR C C 173.8 0.3 1 295 . 28 GLY N N 108.8 0.3 1 296 . 28 GLY H H 8.84 0.03 1 297 . 28 GLY CA C 44.8 0.3 1 298 . 28 GLY HA2 H 3.96 0.03 2 299 . 28 GLY HA3 H 3.32 0.03 2 300 . 28 GLY C C 173.7 0.3 1 301 . 29 SER N N 115.0 0.3 1 302 . 29 SER H H 8.21 0.03 1 303 . 29 SER CA C 62.6 0.3 1 304 . 29 SER HA H 3.95 0.03 1 305 . 29 SER CB C 62.2 0.3 1 306 . 29 SER HB2 H 3.66 0.03 1 307 . 29 SER HB3 H 3.66 0.03 1 308 . 29 SER C C 174.8 0.3 1 309 . 30 LEU N N 120.0 0.3 1 310 . 30 LEU H H 9.13 0.03 1 311 . 30 LEU CA C 57.7 0.3 1 312 . 30 LEU HA H 4.04 0.03 1 313 . 30 LEU CB C 41.7 0.3 1 314 . 30 LEU HB2 H 2.03 0.03 1 315 . 30 LEU HB3 H 2.03 0.03 1 316 . 30 LEU CG C 26.8 0.3 1 317 . 30 LEU HG H 1.78 0.03 1 318 . 30 LEU HD1 H 0.95 0.03 2 319 . 30 LEU HD2 H 1.06 0.03 2 320 . 30 LEU CD1 C 24.6 0.3 1 321 . 30 LEU CD2 C 23.1 0.3 1 322 . 30 LEU C C 178.1 0.3 1 323 . 31 SER N N 111.6 0.3 1 324 . 31 SER H H 6.38 0.03 1 325 . 31 SER CA C 60.0 0.3 1 326 . 31 SER HA H 3.89 0.03 1 327 . 31 SER CB C 62.3 0.3 1 328 . 31 SER HB2 H 3.56 0.03 1 329 . 31 SER HB3 H 3.56 0.03 1 330 . 31 SER C C 177.5 0.3 1 331 . 32 PHE N N 117.4 0.3 1 332 . 32 PHE H H 8.06 0.03 1 333 . 32 PHE CA C 57.7 0.3 1 334 . 32 PHE HA H 4.20 0.03 1 335 . 32 PHE CB C 35.6 0.3 1 336 . 32 PHE HB2 H 3.20 0.03 2 337 . 32 PHE HB3 H 2.83 0.03 2 338 . 32 PHE HD1 H 6.95 0.03 1 339 . 32 PHE HD2 H 6.95 0.03 1 340 . 32 PHE HE1 H 7.19 0.03 1 341 . 32 PHE HE2 H 7.19 0.03 1 342 . 32 PHE CD1 C 130.5 0.3 1 343 . 32 PHE CE1 C 131.0 0.3 1 344 . 32 PHE C C 178.3 0.3 1 345 . 33 ALA N N 122.1 0.3 1 346 . 33 ALA H H 8.70 0.03 1 347 . 33 ALA CA C 54.8 0.3 1 348 . 33 ALA HA H 4.68 0.03 1 349 . 33 ALA HB H 1.37 0.03 1 350 . 33 ALA CB C 18.9 0.3 1 351 . 33 ALA C C 182.9 0.3 1 352 . 34 LEU N N 120.0 0.3 1 353 . 34 LEU H H 8.62 0.03 1 354 . 34 LEU CA C 57.3 0.3 1 355 . 34 LEU HA H 4.00 0.03 1 356 . 34 LEU CB C 42.3 0.3 1 357 . 34 LEU HB2 H 2.18 0.03 1 358 . 34 LEU HB3 H 2.18 0.03 1 359 . 34 LEU CG C 26.8 0.3 1 360 . 34 LEU HG H 1.91 0.03 1 361 . 34 LEU HD1 H 0.69 0.03 2 362 . 34 LEU HD2 H 0.73 0.03 2 363 . 34 LEU CD1 C 26.8 0.3 1 364 . 34 LEU CD2 C 23.2 0.3 1 365 . 34 LEU C C 178.1 0.3 1 366 . 35 GLN N N 114.2 0.3 1 367 . 35 GLN H H 7.67 0.03 1 368 . 35 GLN CA C 56.8 0.3 1 369 . 35 GLN HA H 4.35 0.03 1 370 . 35 GLN CB C 30.8 0.3 1 371 . 35 GLN HB2 H 2.50 0.03 2 372 . 35 GLN HB3 H 2.01 0.03 2 373 . 35 GLN CG C 37.0 0.3 1 374 . 35 GLN HG2 H 2.84 0.03 2 375 . 35 GLN HG3 H 1.78 0.03 2 376 . 35 GLN C C 174.6 0.3 1 377 . 36 GLY N N 105.8 0.3 1 378 . 36 GLY H H 7.59 0.03 1 379 . 36 GLY CA C 45.0 0.3 1 380 . 36 GLY HA2 H 4.33 0.03 2 381 . 36 GLY HA3 H 3.45 0.03 2 382 . 36 GLY C C 173.1 0.3 1 383 . 37 VAL N N 124.1 0.3 1 384 . 37 VAL H H 8.08 0.03 1 385 . 37 VAL CA C 57.3 0.3 1 386 . 37 VAL HA H 4.21 0.03 1 387 . 37 VAL CB C 32.0 0.3 1 388 . 37 VAL HB H 1.38 0.03 1 389 . 37 VAL HG1 H 0.30 0.03 2 390 . 37 VAL HG2 H -0.16 0.03 2 391 . 37 VAL CG1 C 21.1 0.3 1 392 . 37 VAL CG2 C 20.4 0.3 1 393 . 38 PRO CD C 50.7 0.3 1 394 . 38 PRO CA C 62.5 0.3 1 395 . 38 PRO HA H 4.00 0.03 1 396 . 38 PRO CB C 28.9 0.3 1 397 . 38 PRO HB2 H 2.13 0.03 2 398 . 38 PRO HB3 H 1.75 0.03 2 399 . 38 PRO CG C 28.1 0.3 1 400 . 38 PRO HG2 H 1.99 0.03 1 401 . 38 PRO HG3 H 1.99 0.03 1 402 . 38 PRO HD2 H 3.60 0.03 2 403 . 38 PRO HD3 H 3.18 0.03 2 404 . 38 PRO C C 174.9 0.3 1 405 . 39 VAL N N 121.2 0.3 1 406 . 39 VAL H H 7.88 0.03 1 407 . 39 VAL CA C 59.0 0.3 1 408 . 39 VAL HA H 4.47 0.03 1 409 . 39 VAL CB C 34.9 0.3 1 410 . 39 VAL HB H 2.15 0.03 1 411 . 39 VAL HG1 H 0.85 0.03 2 412 . 39 VAL HG2 H 0.87 0.03 2 413 . 39 VAL CG1 C 22.4 0.3 1 414 . 39 VAL CG2 C 20.7 0.3 1 415 . 39 VAL C C 174.4 0.3 1 416 . 40 GLU N N 121.7 0.3 1 417 . 40 GLU H H 8.21 0.03 1 418 . 40 GLU CA C 55.6 0.3 1 419 . 40 GLU HA H 4.21 0.03 1 420 . 40 GLU CB C 30.9 0.3 1 421 . 40 GLU HB2 H 1.82 0.03 2 422 . 40 GLU HB3 H 1.77 0.03 2 423 . 40 GLU CG C 36.5 0.3 1 424 . 40 GLU HG2 H 2.25 0.03 2 425 . 40 GLU HG3 H 2.11 0.03 2 426 . 40 GLU C C 175.6 0.3 1 427 . 41 VAL N N 122.8 0.3 1 428 . 41 VAL H H 7.79 0.03 1 429 . 41 VAL CA C 61.6 0.3 1 430 . 41 VAL HA H 3.81 0.03 1 431 . 41 VAL CB C 33.2 0.3 1 432 . 41 VAL HB H 1.45 0.03 1 433 . 41 VAL HG1 H 0.38 0.03 2 434 . 41 VAL HG2 H 0.59 0.03 2 435 . 41 VAL CG1 C 22.5 0.3 1 436 . 41 VAL CG2 C 21.8 0.3 1 437 . 42 HIS CA C 55.6 0.3 1 438 . 42 HIS HA H 4.89 0.03 1 439 . 42 HIS CB C 33.0 0.3 1 440 . 42 HIS HB2 H 3.24 0.03 2 441 . 42 HIS HB3 H 2.83 0.03 2 442 . 42 HIS C C 174.3 0.3 1 443 . 43 ASP N N 119.4 0.3 1 444 . 43 ASP H H 8.15 0.03 1 445 . 43 ASP CA C 53.4 0.3 1 446 . 43 ASP HA H 4.60 0.03 1 447 . 43 ASP CB C 41.9 0.3 1 448 . 43 ASP HB2 H 3.25 0.03 2 449 . 43 ASP HB3 H 3.15 0.03 2 450 . 43 ASP C C 172.9 0.3 1 451 . 44 ILE N N 114.7 0.3 1 452 . 44 ILE H H 8.32 0.03 1 453 . 44 ILE CA C 61.3 0.3 1 454 . 44 ILE HA H 4.55 0.03 1 455 . 44 ILE CB C 41.1 0.3 1 456 . 44 ILE HB H 1.73 0.03 1 457 . 44 ILE HG2 H 0.83 0.03 1 458 . 44 ILE CG2 C 16.8 0.3 1 459 . 44 ILE CG1 C 27.2 0.3 1 460 . 44 ILE HG12 H 1.62 0.03 1 461 . 44 ILE HG13 H 1.62 0.03 1 462 . 44 ILE HD1 H 0.81 0.03 1 463 . 44 ILE CD1 C 14.1 0.3 1 464 . 44 ILE C C 173.2 0.3 1 465 . 45 ASP N N 129.6 0.3 1 466 . 45 ASP H H 8.79 0.03 1 467 . 45 ASP CA C 53.4 0.3 1 468 . 45 ASP HA H 5.29 0.03 1 469 . 45 ASP CB C 43.4 0.3 1 470 . 45 ASP HB2 H 2.62 0.03 2 471 . 45 ASP HB3 H 2.45 0.03 2 472 . 45 ASP C C 174.1 0.3 1 473 . 46 ILE N N 122.1 0.3 1 474 . 46 ILE H H 9.08 0.03 1 475 . 46 ILE CA C 58.4 0.3 1 476 . 46 ILE HA H 5.09 0.03 1 477 . 46 ILE CB C 40.2 0.3 1 478 . 46 ILE HB H 1.82 0.03 1 479 . 46 ILE HG2 H 0.93 0.03 1 480 . 46 ILE CG2 C 18.0 0.3 1 481 . 46 ILE CG1 C 27.5 0.3 1 482 . 46 ILE HG12 H 1.30 0.03 2 483 . 46 ILE HG13 H 1.25 0.03 2 484 . 46 ILE HD1 H 0.64 0.03 1 485 . 46 ILE CD1 C 12.7 0.3 1 486 . 46 ILE C C 174.9 0.3 1 487 . 47 GLN N N 127.6 0.3 1 488 . 47 GLN H H 9.27 0.03 1 489 . 47 GLN CA C 53.7 0.3 1 490 . 47 GLN HA H 5.61 0.03 1 491 . 47 GLN CB C 31.7 0.3 1 492 . 47 GLN HB2 H 1.94 0.03 1 493 . 47 GLN HB3 H 1.94 0.03 1 494 . 47 GLN CG C 35.1 0.3 1 495 . 47 GLN HG2 H 2.66 0.03 2 496 . 47 GLN HG3 H 2.48 0.03 2 497 . 47 GLN NE2 N 107.7 0.3 1 498 . 47 GLN HE21 H 7.54 0.03 2 499 . 47 GLN HE22 H 6.75 0.03 2 500 . 47 GLN C C 173.7 0.3 1 501 . 48 THR N N 119.5 0.3 1 502 . 48 THR H H 8.60 0.03 1 503 . 48 THR CA C 58.4 0.3 1 504 . 48 THR HA H 5.11 0.03 1 505 . 48 THR CB C 69.6 0.3 1 506 . 48 THR HB H 4.14 0.03 1 507 . 48 THR HG2 H 1.09 0.03 1 508 . 48 THR CG2 C 18.1 0.3 1 509 . 48 THR C C 174.5 0.3 1 510 . 49 ASP N N 124.6 0.3 1 511 . 49 ASP H H 9.41 0.03 1 512 . 49 ASP CA C 52.1 0.3 1 513 . 49 ASP HA H 5.28 0.03 1 514 . 49 ASP CB C 42.2 0.3 1 515 . 49 ASP HB2 H 3.40 0.03 2 516 . 49 ASP HB3 H 2.86 0.03 2 517 . 49 ASP C C 175.7 0.3 1 518 . 50 GLU N N 121.2 0.3 1 519 . 50 GLU H H 7.80 0.03 1 520 . 50 GLU CA C 61.3 0.3 1 521 . 50 GLU HA H 3.47 0.03 1 522 . 50 GLU CB C 29.5 0.3 1 523 . 50 GLU HB2 H 2.06 0.03 2 524 . 50 GLU HB3 H 1.89 0.03 2 525 . 50 GLU CG C 34.9 0.3 1 526 . 50 GLU HG2 H 1.82 0.03 1 527 . 50 GLU HG3 H 1.82 0.03 1 528 . 50 GLU C C 176.6 0.3 1 529 . 51 GLU N N 114.9 0.3 1 530 . 51 GLU H H 8.59 0.03 1 531 . 51 GLU CA C 59.3 0.3 1 532 . 51 GLU HA H 4.09 0.03 1 533 . 51 GLU CB C 29.9 0.3 1 534 . 51 GLU HB2 H 2.05 0.03 2 535 . 51 GLU HB3 H 2.00 0.03 2 536 . 51 GLU CG C 37.0 0.3 1 537 . 51 GLU HG2 H 2.38 0.03 2 538 . 51 GLU HG3 H 2.31 0.03 2 539 . 51 GLU C C 180.3 0.3 1 540 . 52 GLY N N 108.7 0.3 1 541 . 52 GLY H H 8.70 0.03 1 542 . 52 GLY CA C 47.5 0.3 1 543 . 52 GLY HA2 H 4.51 0.03 2 544 . 52 GLY HA3 H 3.77 0.03 2 545 . 52 GLY C C 175.6 0.3 1 546 . 53 ALA N N 124.2 0.3 1 547 . 53 ALA H H 7.97 0.03 1 548 . 53 ALA CA C 55.5 0.3 1 549 . 53 ALA HA H 3.65 0.03 1 550 . 53 ALA HB H 1.03 0.03 1 551 . 53 ALA CB C 17.7 0.3 1 552 . 53 ALA C C 178.2 0.3 1 553 . 54 TYR N N 113.4 0.3 1 554 . 54 TYR H H 6.89 0.03 1 555 . 54 TYR CA C 61.2 0.3 1 556 . 54 TYR HA H 4.06 0.03 1 557 . 54 TYR CB C 38.0 0.3 1 558 . 54 TYR HB2 H 3.25 0.03 2 559 . 54 TYR HB3 H 2.88 0.03 2 560 . 54 TYR HD1 H 7.42 0.03 1 561 . 54 TYR HD2 H 7.42 0.03 1 562 . 54 TYR HE1 H 6.66 0.03 1 563 . 54 TYR HE2 H 6.66 0.03 1 564 . 54 TYR CD1 C 133.4 0.3 1 565 . 54 TYR CE1 C 118.7 0.3 1 566 . 54 TYR C C 179.3 0.3 1 567 . 55 GLU N N 122.5 0.3 1 568 . 55 GLU H H 8.25 0.03 1 569 . 55 GLU CA C 58.6 0.3 1 570 . 55 GLU HA H 4.49 0.03 1 571 . 55 GLU CB C 30.5 0.3 1 572 . 55 GLU HB2 H 2.25 0.03 2 573 . 55 GLU HB3 H 1.95 0.03 2 574 . 55 GLU CG C 36.1 0.3 1 575 . 55 GLU HG2 H 2.33 0.03 1 576 . 55 GLU HG3 H 2.33 0.03 1 577 . 55 GLU C C 178.8 0.3 1 578 . 56 ILE N N 120.7 0.3 1 579 . 56 ILE H H 9.04 0.03 1 580 . 56 ILE CA C 66.5 0.3 1 581 . 56 ILE HA H 3.55 0.03 1 582 . 56 ILE CB C 37.5 0.3 1 583 . 56 ILE HB H 1.91 0.03 1 584 . 56 ILE HG2 H 0.74 0.03 1 585 . 56 ILE CG2 C 17.8 0.3 1 586 . 56 ILE CG1 C 32.2 0.3 1 587 . 56 ILE HG12 H 2.06 0.03 1 588 . 56 ILE HG13 H 2.06 0.03 1 589 . 56 ILE HD1 H 0.60 0.03 1 590 . 56 ILE CD1 C 13.5 0.3 1 591 . 56 ILE C C 177.3 0.3 1 592 . 57 GLU N N 119.0 0.3 1 593 . 57 GLU H H 7.42 0.03 1 594 . 57 GLU CA C 59.9 0.3 1 595 . 57 GLU HA H 3.61 0.03 1 596 . 57 GLU CB C 30.2 0.3 1 597 . 57 GLU HB2 H 2.21 0.03 2 598 . 57 GLU HB3 H 2.09 0.03 2 599 . 57 GLU CG C 37.3 0.3 1 600 . 57 GLU HG2 H 2.23 0.03 1 601 . 57 GLU HG3 H 2.23 0.03 1 602 . 57 GLU C C 176.7 0.3 1 603 . 58 ARG N N 117.0 0.3 1 604 . 58 ARG H H 7.36 0.03 1 605 . 58 ARG CA C 59.5 0.3 1 606 . 58 ARG HA H 4.07 0.03 1 607 . 58 ARG CB C 30.6 0.3 1 608 . 58 ARG HB2 H 2.18 0.03 2 609 . 58 ARG HB3 H 1.99 0.03 2 610 . 58 ARG CG C 27.3 0.3 1 611 . 58 ARG HG2 H 1.76 0.03 2 612 . 58 ARG HG3 H 1.53 0.03 2 613 . 58 ARG CD C 43.1 0.3 1 614 . 58 ARG HD2 H 3.38 0.03 2 615 . 58 ARG HD3 H 3.19 0.03 2 616 . 58 ARG C C 180.2 0.3 1 617 . 59 ILE N N 121.7 0.3 1 618 . 59 ILE H H 8.77 0.03 1 619 . 59 ILE CA C 64.5 0.3 1 620 . 59 ILE HA H 3.47 0.03 1 621 . 59 ILE CB C 39.0 0.3 1 622 . 59 ILE HB H 1.55 0.03 1 623 . 59 ILE HG2 H 0.14 0.03 1 624 . 59 ILE CG2 C 18.5 0.3 1 625 . 59 ILE CG1 C 30.1 0.3 1 626 . 59 ILE HG12 H 1.72 0.03 2 627 . 59 ILE HG13 H 0.86 0.03 2 628 . 59 ILE HD1 H 0.62 0.03 1 629 . 59 ILE CD1 C 15.2 0.3 1 630 . 59 ILE C C 177.4 0.3 1 631 . 60 PHE N N 117.2 0.3 1 632 . 60 PHE H H 8.29 0.03 1 633 . 60 PHE CA C 57.2 0.3 1 634 . 60 PHE HA H 4.73 0.03 1 635 . 60 PHE CB C 38.8 0.3 1 636 . 60 PHE HB2 H 3.69 0.03 2 637 . 60 PHE HB3 H 2.77 0.03 2 638 . 60 PHE HD1 H 7.49 0.03 1 639 . 60 PHE HD2 H 7.49 0.03 1 640 . 60 PHE HE1 H 6.89 0.03 1 641 . 60 PHE HE2 H 6.89 0.03 1 642 . 60 PHE CD1 C 132.4 0.3 1 643 . 60 PHE CE1 C 130.2 0.3 1 644 . 60 PHE C C 176.4 0.3 1 645 . 61 SER N N 115.3 0.3 1 646 . 61 SER H H 6.88 0.03 1 647 . 61 SER CA C 62.6 0.3 1 648 . 61 SER HA H 4.32 0.03 1 649 . 61 SER CB C 63.3 0.3 1 650 . 61 SER HB2 H 4.20 0.03 2 651 . 61 SER HB3 H 4.05 0.03 2 652 . 61 SER C C 176.6 0.3 1 653 . 62 GLU N N 122.2 0.3 1 654 . 62 GLU H H 10.00 0.03 1 655 . 62 GLU CA C 57.7 0.3 1 656 . 62 GLU HA H 4.30 0.03 1 657 . 62 GLU CB C 28.0 0.3 1 658 . 62 GLU HB2 H 1.77 0.03 2 659 . 62 GLU HB3 H 1.68 0.03 2 660 . 62 GLU CG C 35.1 0.3 1 661 . 62 GLU HG2 H 1.60 0.03 2 662 . 62 GLU HG3 H 0.98 0.03 2 663 . 62 GLU C C 176.7 0.3 1 664 . 63 PHE N N 118.9 0.3 1 665 . 63 PHE H H 8.56 0.03 1 666 . 63 PHE CA C 56.4 0.3 1 667 . 63 PHE HA H 5.08 0.03 1 668 . 63 PHE CB C 40.8 0.3 1 669 . 63 PHE HB2 H 3.83 0.03 2 670 . 63 PHE HB3 H 2.78 0.03 2 671 . 63 PHE HD1 H 7.47 0.03 1 672 . 63 PHE HD2 H 7.47 0.03 1 673 . 63 PHE HE1 H 6.89 0.03 1 674 . 63 PHE HE2 H 6.89 0.03 1 675 . 63 PHE CD1 C 131.7 0.3 1 676 . 63 PHE C C 175.5 0.3 1 677 . 64 VAL N N 121.0 0.3 1 678 . 64 VAL H H 7.21 0.03 1 679 . 64 VAL CA C 64.7 0.3 1 680 . 64 VAL HA H 3.87 0.03 1 681 . 64 VAL CB C 32.7 0.3 1 682 . 64 VAL HB H 2.08 0.03 1 683 . 64 VAL HG1 H 1.18 0.03 2 684 . 64 VAL HG2 H 0.92 0.03 2 685 . 64 VAL CG1 C 25.2 0.3 1 686 . 64 VAL CG2 C 21.2 0.3 1 687 . 64 VAL C C 175.9 0.3 1 688 . 65 SER N N 125.5 0.3 1 689 . 65 SER H H 9.33 0.03 1 690 . 65 SER CA C 58.3 0.3 1 691 . 65 SER HA H 4.70 0.03 1 692 . 65 SER CB C 63.3 0.3 1 693 . 65 SER HB2 H 3.87 0.03 2 694 . 65 SER HB3 H 3.58 0.03 2 695 . 65 SER C C 176.2 0.3 1 696 . 66 LYS N N 123.2 0.3 1 697 . 66 LYS H H 8.06 0.03 1 698 . 66 LYS CA C 56.0 0.3 1 699 . 66 LYS HA H 4.62 0.03 1 700 . 66 LYS CB C 35.2 0.3 1 701 . 66 LYS HB2 H 1.77 0.03 2 702 . 66 LYS HB3 H 1.58 0.03 2 703 . 66 LYS CG C 25.0 0.3 1 704 . 66 LYS HG2 H 1.44 0.03 2 705 . 66 LYS HG3 H 1.34 0.03 2 706 . 66 LYS CD C 29.5 0.3 1 707 . 66 LYS HD2 H 1.72 0.03 2 708 . 66 LYS HD3 H 1.50 0.03 2 709 . 66 LYS CE C 42.1 0.3 1 710 . 66 LYS HE2 H 3.02 0.03 1 711 . 66 LYS HE3 H 3.02 0.03 1 712 . 66 LYS C C 174.6 0.3 1 713 . 67 LYS N N 124.5 0.3 1 714 . 67 LYS H H 8.39 0.03 1 715 . 67 LYS CA C 56.4 0.3 1 716 . 67 LYS HA H 4.09 0.03 1 717 . 67 LYS CB C 32.6 0.3 1 718 . 67 LYS HB2 H 1.92 0.03 2 719 . 67 LYS HB3 H 1.76 0.03 2 720 . 67 LYS CG C 25.1 0.3 1 721 . 67 LYS HG2 H 1.65 0.03 2 722 . 67 LYS HG3 H 1.49 0.03 2 723 . 67 LYS CD C 29.1 0.3 1 724 . 67 LYS HD2 H 1.80 0.03 2 725 . 67 LYS HD3 H 1.75 0.03 2 726 . 67 LYS CE C 42.2 0.3 1 727 . 67 LYS HE2 H 3.12 0.03 1 728 . 67 LYS HE3 H 3.12 0.03 1 729 . 67 LYS C C 176.3 0.3 1 730 . 68 VAL N N 124.4 0.3 1 731 . 68 VAL H H 9.18 0.03 1 732 . 68 VAL CA C 62.4 0.3 1 733 . 68 VAL HA H 4.14 0.03 1 734 . 68 VAL CB C 30.8 0.3 1 735 . 68 VAL HB H 1.61 0.03 1 736 . 68 VAL HG1 H 0.62 0.03 2 737 . 68 VAL HG2 H 0.03 0.03 2 738 . 68 VAL CG1 C 22.5 0.3 1 739 . 68 VAL CG2 C 22.2 0.3 1 740 . 68 VAL C C 176.8 0.3 1 741 . 69 ARG N N 125.3 0.3 1 742 . 69 ARG H H 8.58 0.03 1 743 . 69 ARG CA C 53.9 0.3 1 744 . 69 ARG HA H 5.01 0.03 1 745 . 69 ARG CB C 33.4 0.3 1 746 . 69 ARG HB2 H 1.97 0.03 1 747 . 69 ARG HB3 H 1.97 0.03 1 748 . 69 ARG CG C 26.4 0.3 1 749 . 69 ARG HG2 H 1.74 0.03 2 750 . 69 ARG HG3 H 1.69 0.03 2 751 . 69 ARG CD C 43.4 0.3 1 752 . 69 ARG HD2 H 3.39 0.03 1 753 . 69 ARG HD3 H 3.39 0.03 1 754 . 69 ARG C C 175.0 0.3 1 755 . 70 PHE N N 124.7 0.3 1 756 . 70 PHE H H 9.11 0.03 1 757 . 70 PHE CA C 58.8 0.3 1 758 . 70 PHE HA H 4.46 0.03 1 759 . 70 PHE CB C 38.6 0.3 1 760 . 70 PHE HB2 H 2.88 0.03 2 761 . 70 PHE HB3 H 2.82 0.03 2 762 . 70 PHE HD1 H 6.41 0.03 1 763 . 70 PHE HD2 H 6.41 0.03 1 764 . 70 PHE HE1 H 7.12 0.03 1 765 . 70 PHE HE2 H 7.12 0.03 1 766 . 70 PHE CD1 C 131.6 0.3 1 767 . 70 PHE C C 175.1 0.3 1 768 . 71 SER N N 125.2 0.3 1 769 . 71 SER H H 8.63 0.03 1 770 . 71 SER CA C 56.6 0.3 1 771 . 71 SER HA H 4.55 0.03 1 772 . 71 SER CB C 64.8 0.3 1 773 . 71 SER HB2 H 3.70 0.03 2 774 . 71 SER HB3 H 3.62 0.03 2 775 . 72 SER CA C 56.4 0.3 1 776 . 72 SER HA H 5.04 0.03 1 777 . 72 SER CB C 65.7 0.3 1 778 . 72 SER HB2 H 3.69 0.03 2 779 . 72 SER HB3 H 3.64 0.03 2 780 . 72 SER C C 174.4 0.3 1 781 . 73 THR N N 117.0 0.3 1 782 . 73 THR H H 8.94 0.03 1 783 . 73 THR CA C 59.8 0.3 1 784 . 73 THR HA H 4.91 0.03 1 785 . 73 THR CB C 71.3 0.3 1 786 . 73 THR HB H 4.78 0.03 1 787 . 73 THR HG2 H 1.20 0.03 1 788 . 73 THR CG2 C 22.0 0.3 1 789 . 75 LYS CA C 56.4 0.3 1 790 . 75 LYS HA H 4.54 0.03 1 791 . 75 LYS CB C 36.0 0.3 1 792 . 75 LYS HB2 H 1.97 0.03 2 793 . 75 LYS HB3 H 1.82 0.03 2 794 . 75 LYS CG C 25.4 0.3 1 795 . 75 LYS HG2 H 1.49 0.03 2 796 . 75 LYS HG3 H 1.41 0.03 2 797 . 75 LYS HD2 H 1.70 0.03 1 798 . 75 LYS HD3 H 1.70 0.03 1 799 . 75 LYS CE C 42.1 0.3 1 800 . 75 LYS HE2 H 3.01 0.03 1 801 . 75 LYS HE3 H 3.01 0.03 1 802 . 75 LYS C C 176.2 0.3 1 803 . 76 ILE N N 116.8 0.3 1 804 . 76 ILE H H 7.69 0.03 1 805 . 76 ILE CA C 59.8 0.3 1 806 . 76 ILE HA H 5.68 0.03 1 807 . 76 ILE CB C 43.5 0.3 1 808 . 76 ILE HB H 1.72 0.03 1 809 . 76 ILE HG2 H 0.86 0.03 1 810 . 76 ILE CG2 C 18.3 0.3 1 811 . 76 ILE CG1 C 27.8 0.3 1 812 . 76 ILE HG12 H 1.48 0.03 2 813 . 76 ILE HG13 H 1.05 0.03 2 814 . 76 ILE HD1 H 0.82 0.03 1 815 . 76 ILE CD1 C 14.6 0.3 1 816 . 76 ILE C C 174.3 0.3 1 817 . 77 CYS N N 119.8 0.3 1 818 . 77 CYS H H 8.87 0.03 1 819 . 77 CYS CA C 55.5 0.3 1 820 . 77 CYS HA H 5.38 0.03 1 821 . 77 CYS CB C 31.9 0.3 1 822 . 77 CYS HB2 H 2.40 0.03 2 823 . 77 CYS HB3 H 2.27 0.03 2 824 . 77 CYS C C 171.8 0.3 1 825 . 78 SER N N 111.3 0.3 1 826 . 78 SER H H 8.09 0.03 1 827 . 78 SER CA C 58.4 0.3 1 828 . 78 SER HA H 4.62 0.03 1 829 . 78 SER CB C 65.3 0.3 1 830 . 78 SER HB2 H 3.95 0.03 2 831 . 78 SER HB3 H 3.61 0.03 2 832 . 78 SER C C 172.0 0.3 1 833 . 79 HIS N N 120.3 0.3 1 834 . 79 HIS H H 9.19 0.03 1 835 . 79 HIS CA C 56.8 0.3 1 836 . 79 HIS HA H 4.65 0.03 1 837 . 79 HIS CB C 30.3 0.3 1 838 . 79 HIS HB2 H 2.74 0.03 2 839 . 79 HIS HB3 H 2.46 0.03 2 840 . 79 HIS C C 173.9 0.3 1 841 . 80 PHE N N 127.3 0.3 1 842 . 80 PHE H H 8.50 0.03 1 843 . 80 PHE CA C 55.7 0.3 1 844 . 80 PHE HA H 5.94 0.03 1 845 . 80 PHE CB C 43.1 0.3 1 846 . 80 PHE HB2 H 3.30 0.03 2 847 . 80 PHE HB3 H 2.84 0.03 2 848 . 80 PHE HD1 H 7.21 0.03 1 849 . 80 PHE HD2 H 7.21 0.03 1 850 . 80 PHE CD1 C 131.9 0.3 1 851 . 80 PHE C C 175.4 0.3 1 852 . 81 GLY N N 114.4 0.3 1 853 . 81 GLY H H 8.47 0.03 1 854 . 81 GLY CA C 44.5 0.3 1 855 . 81 GLY HA2 H 3.76 0.03 2 856 . 81 GLY HA3 H 3.45 0.03 2 857 . 81 GLY C C 169.6 0.3 1 858 . 82 GLU N N 118.7 0.3 1 859 . 82 GLU H H 8.95 0.03 1 860 . 82 GLU CA C 55.1 0.3 1 861 . 82 GLU HA H 5.30 0.03 1 862 . 82 GLU CB C 36.4 0.3 1 863 . 82 GLU HB2 H 2.00 0.03 2 864 . 82 GLU HB3 H 1.81 0.03 2 865 . 82 GLU CG C 38.3 0.3 1 866 . 82 GLU HG2 H 2.24 0.03 2 867 . 82 GLU HG3 H 2.04 0.03 2 868 . 82 GLU C C 174.4 0.3 1 869 . 83 LEU N N 125.1 0.3 1 870 . 83 LEU H H 9.54 0.03 1 871 . 83 LEU CA C 52.3 0.3 1 872 . 83 LEU HA H 5.16 0.03 1 873 . 83 LEU CB C 45.1 0.3 1 874 . 83 LEU CG C 26.8 0.3 1 875 . 83 LEU HG H 1.46 0.03 1 876 . 83 LEU HD1 H 0.26 0.03 2 877 . 83 LEU HD2 H 0.79 0.03 2 878 . 83 LEU CD1 C 26.0 0.3 1 879 . 83 LEU CD2 C 24.0 0.3 1 880 . 83 LEU C C 176.1 0.3 1 881 . 84 ILE N N 118.7 0.3 1 882 . 84 ILE H H 8.52 0.03 1 883 . 84 ILE CA C 61.1 0.3 1 884 . 84 ILE HA H 4.80 0.03 1 885 . 84 ILE CB C 40.1 0.3 1 886 . 84 ILE HB H 1.71 0.03 1 887 . 84 ILE HG2 H 0.66 0.03 1 888 . 84 ILE CG2 C 17.4 0.3 1 889 . 84 ILE CG1 C 27.2 0.3 1 890 . 84 ILE HG12 H 1.67 0.03 2 891 . 84 ILE HG13 H 0.96 0.03 2 892 . 84 ILE HD1 H 0.84 0.03 1 893 . 84 ILE CD1 C 13.2 0.3 1 894 . 84 ILE C C 176.0 0.3 1 895 . 85 ILE N N 126.3 0.3 1 896 . 85 ILE H H 8.68 0.03 1 897 . 85 ILE CA C 59.8 0.3 1 898 . 85 ILE HA H 3.97 0.03 1 899 . 85 ILE CB C 38.9 0.3 1 900 . 85 ILE HB H 1.33 0.03 1 901 . 85 ILE HG2 H 0.23 0.03 1 902 . 85 ILE CG2 C 17.1 0.3 1 903 . 85 ILE CG1 C 25.4 0.3 1 904 . 85 ILE HG12 H 1.05 0.03 1 905 . 85 ILE HG13 H 1.05 0.03 1 906 . 85 ILE HD1 H 0.13 0.03 1 907 . 85 ILE CD1 C 13.3 0.3 1 908 . 85 ILE C C 174.6 0.3 1 909 . 86 ASP N N 125.9 0.3 1 910 . 86 ASP H H 8.90 0.03 1 911 . 86 ASP CA C 55.1 0.3 1 912 . 86 ASP HA H 4.16 0.03 1 913 . 86 ASP CB C 39.3 0.3 1 914 . 86 ASP HB2 H 2.73 0.03 2 915 . 86 ASP HB3 H 2.56 0.03 2 916 . 86 ASP C C 176.0 0.3 1 917 . 87 GLY N N 101.2 0.3 1 918 . 87 GLY H H 7.92 0.03 1 919 . 87 GLY CA C 45.2 0.3 1 920 . 87 GLY HA2 H 4.10 0.03 2 921 . 87 GLY HA3 H 3.42 0.03 2 922 . 87 GLY C C 173.5 0.3 1 923 . 88 ILE N N 124.5 0.3 1 924 . 88 ILE H H 8.04 0.03 1 925 . 88 ILE CA C 59.5 0.3 1 926 . 88 ILE HA H 4.14 0.03 1 927 . 88 ILE CB C 38.3 0.3 1 928 . 88 ILE HB H 2.03 0.03 1 929 . 88 ILE HG2 H 0.84 0.03 1 930 . 88 ILE CG2 C 17.7 0.3 1 931 . 88 ILE CG1 C 28.3 0.3 1 932 . 88 ILE HG12 H 1.15 0.03 2 933 . 88 ILE HG13 H 0.95 0.03 2 934 . 88 ILE HD1 H 0.15 0.03 1 935 . 88 ILE CD1 C 11.8 0.3 1 936 . 88 ILE C C 173.9 0.3 1 937 . 89 LYS N N 128.9 0.3 1 938 . 89 LYS H H 8.64 0.03 1 939 . 89 LYS CA C 56.9 0.3 1 940 . 89 LYS HA H 4.54 0.03 1 941 . 89 LYS CB C 32.5 0.3 1 942 . 89 LYS HB2 H 1.76 0.03 1 943 . 89 LYS HB3 H 1.76 0.03 1 944 . 89 LYS CG C 25.0 0.3 1 945 . 89 LYS HG2 H 1.50 0.03 2 946 . 89 LYS HG3 H 1.32 0.03 2 947 . 89 LYS CD C 29.4 0.3 1 948 . 89 LYS HD2 H 1.80 0.03 2 949 . 89 LYS HD3 H 1.72 0.03 2 950 . 89 LYS CE C 41.7 0.3 1 951 . 89 LYS HE2 H 3.04 0.03 1 952 . 89 LYS HE3 H 3.04 0.03 1 953 . 89 LYS C C 174.7 0.3 1 954 . 90 VAL N N 127.9 0.3 1 955 . 90 VAL H H 9.06 0.03 1 956 . 90 VAL CA C 59.1 0.3 1 957 . 90 VAL HA H 5.26 0.03 1 958 . 90 VAL CB C 33.7 0.3 1 959 . 90 VAL HB H 1.75 0.03 1 960 . 90 VAL HG1 H 0.49 0.03 2 961 . 90 VAL HG2 H 0.63 0.03 2 962 . 90 VAL CG1 C 21.3 0.3 1 963 . 90 VAL CG2 C 20.1 0.3 1 964 . 90 VAL C C 175.8 0.3 1 965 . 91 GLU N N 126.5 0.3 1 966 . 91 GLU H H 8.94 0.03 1 967 . 91 GLU CA C 56.0 0.3 1 968 . 91 GLU HA H 4.69 0.03 1 969 . 91 GLU CB C 31.9 0.3 1 970 . 91 GLU HB2 H 2.26 0.03 2 971 . 91 GLU HB3 H 2.16 0.03 2 972 . 91 GLU CG C 38.5 0.3 1 973 . 91 GLU HG2 H 2.58 0.03 2 974 . 91 GLU HG3 H 2.25 0.03 2 975 . 91 GLU C C 174.4 0.3 1 976 . 92 ILE N N 123.0 0.3 1 977 . 92 ILE H H 8.44 0.03 1 978 . 92 ILE CA C 59.0 0.3 1 979 . 92 ILE HA H 4.49 0.03 1 980 . 92 ILE CB C 40.1 0.3 1 981 . 92 ILE HB H 1.35 0.03 1 982 . 92 ILE HG2 H 0.67 0.03 1 983 . 92 ILE CG2 C 18.2 0.3 1 984 . 92 ILE CG1 C 27.1 0.3 1 985 . 92 ILE HG12 H 1.22 0.03 2 986 . 92 ILE HG13 H 0.79 0.03 2 987 . 92 ILE HD1 H 0.49 0.03 1 988 . 92 ILE CD1 C 13.7 0.3 1 989 . 92 ILE C C 175.0 0.3 1 990 . 93 MET N N 122.8 0.3 1 991 . 93 MET H H 8.51 0.03 1 992 . 93 MET CA C 54.4 0.3 1 993 . 93 MET HA H 5.13 0.03 1 994 . 93 MET CB C 35.9 0.3 1 995 . 93 MET HB2 H 2.21 0.03 2 996 . 93 MET HB3 H 1.85 0.03 2 997 . 93 MET CG C 33.5 0.3 1 998 . 93 MET HG2 H 2.71 0.03 2 999 . 93 MET HG3 H 2.61 0.03 2 1000 . 93 MET HE H 1.98 0.03 1 1001 . 93 MET CE C 17.9 0.3 1 1002 . 93 MET C C 175.2 0.3 1 1003 . 94 GLY N N 111.4 0.3 1 1004 . 94 GLY H H 9.91 0.03 1 1005 . 94 GLY CA C 44.7 0.3 1 1006 . 94 GLY HA2 H 4.64 0.03 1 1007 . 94 GLY HA3 H 4.64 0.03 1 1008 . 94 GLY C C 173.2 0.3 1 1009 . 95 ASP N N 124.9 0.3 1 1010 . 95 ASP H H 9.33 0.03 1 1011 . 95 ASP CA C 54.6 0.3 1 1012 . 95 ASP HA H 4.65 0.03 1 1013 . 95 ASP CB C 40.5 0.3 1 1014 . 95 ASP HB2 H 3.21 0.03 2 1015 . 95 ASP HB3 H 2.50 0.03 2 1016 . 95 ASP C C 174.1 0.3 1 1017 . 96 ILE N N 118.2 0.3 1 1018 . 96 ILE H H 7.92 0.03 1 1019 . 96 ILE CA C 62.9 0.3 1 1020 . 96 ILE HA H 4.38 0.03 1 1021 . 96 ILE CB C 38.7 0.3 1 1022 . 96 ILE HB H 1.71 0.03 1 1023 . 96 ILE HG2 H 0.93 0.03 1 1024 . 96 ILE CG2 C 17.4 0.3 1 1025 . 96 ILE CG1 C 28.9 0.3 1 1026 . 96 ILE HG12 H 1.64 0.03 1 1027 . 96 ILE HG13 H 1.64 0.03 1 1028 . 96 ILE HD1 H 0.93 0.03 1 1029 . 96 ILE CD1 C 14.7 0.3 1 1030 . 96 ILE C C 177.6 0.3 1 1031 . 97 ARG N N 127.3 0.3 1 1032 . 97 ARG H H 9.04 0.03 1 1033 . 97 ARG CA C 54.9 0.3 1 1034 . 97 ARG HA H 4.90 0.03 1 1035 . 97 ARG CB C 34.8 0.3 1 1036 . 97 ARG HB2 H 2.20 0.03 2 1037 . 97 ARG HB3 H 1.89 0.03 2 1038 . 97 ARG CG C 26.7 0.3 1 1039 . 97 ARG HG2 H 1.89 0.03 2 1040 . 97 ARG HG3 H 1.55 0.03 2 1041 . 97 ARG CD C 44.5 0.3 1 1042 . 97 ARG HD2 H 3.21 0.03 2 1043 . 97 ARG HD3 H 3.07 0.03 2 1044 . 97 ARG C C 174.8 0.3 1 1045 . 98 LYS N N 121.0 0.3 1 1046 . 98 LYS H H 8.55 0.03 1 1047 . 98 LYS CA C 54.8 0.3 1 1048 . 98 LYS HA H 5.22 0.03 1 1049 . 98 LYS CB C 34.4 0.3 1 1050 . 98 LYS HB2 H 1.83 0.03 2 1051 . 98 LYS HB3 H 1.74 0.03 2 1052 . 98 LYS CG C 25.4 0.3 1 1053 . 98 LYS HG2 H 1.55 0.03 2 1054 . 98 LYS HG3 H 1.50 0.03 2 1055 . 98 LYS CD C 29.4 0.3 1 1056 . 98 LYS HD2 H 1.68 0.03 1 1057 . 98 LYS HD3 H 1.68 0.03 1 1058 . 98 LYS CE C 42.1 0.3 1 1059 . 98 LYS HE2 H 3.02 0.03 2 1060 . 98 LYS HE3 H 2.92 0.03 2 1061 . 98 LYS C C 175.5 0.3 1 1062 . 99 ARG N N 125.4 0.3 1 1063 . 99 ARG H H 8.15 0.03 1 1064 . 99 ARG CA C 55.5 0.3 1 1065 . 99 ARG HA H 3.93 0.03 1 1066 . 99 ARG CB C 31.2 0.3 1 1067 . 99 ARG HB2 H 1.49 0.03 2 1068 . 99 ARG HB3 H 0.78 0.03 2 1069 . 99 ARG CG C 27.0 0.3 1 1070 . 99 ARG HG2 H 1.27 0.03 2 1071 . 99 ARG HG3 H 0.58 0.03 2 1072 . 99 ARG CD C 42.9 0.3 1 1073 . 99 ARG HD2 H 2.28 0.03 2 1074 . 99 ARG HD3 H 2.22 0.03 2 1075 . 99 ARG C C 176.7 0.3 1 1076 . 100 LEU N N 127.7 0.3 1 1077 . 100 LEU H H 9.04 0.03 1 1078 . 100 LEU CA C 54.2 0.3 1 1079 . 100 LEU HA H 4.52 0.03 1 1080 . 100 LEU CB C 42.3 0.3 1 1081 . 100 LEU HB2 H 1.93 0.03 2 1082 . 100 LEU HB3 H 1.53 0.03 2 1083 . 100 LEU CG C 27.8 0.3 1 1084 . 100 LEU HG H 1.64 0.03 1 1085 . 100 LEU HD1 H 0.88 0.03 2 1086 . 100 LEU HD2 H 0.90 0.03 2 1087 . 100 LEU CD1 C 25.6 0.3 1 1088 . 100 LEU CD2 C 22.6 0.3 1 1089 . 101 GLU CA C 59.3 0.3 1 1090 . 101 GLU HA H 3.98 0.03 1 1091 . 101 GLU CB C 29.4 0.3 1 1092 . 101 GLU HB2 H 2.06 0.03 1 1093 . 101 GLU HB3 H 2.06 0.03 1 1094 . 101 GLU CG C 36.5 0.3 1 1095 . 101 GLU HG2 H 2.35 0.03 1 1096 . 101 GLU HG3 H 2.35 0.03 1 1097 . 101 GLU C C 176.8 0.3 1 1098 . 102 ASP N N 115.6 0.3 1 1099 . 102 ASP H H 7.62 0.03 1 1100 . 102 ASP CA C 53.1 0.3 1 1101 . 102 ASP HA H 4.49 0.03 1 1102 . 102 ASP CB C 40.2 0.3 1 1103 . 102 ASP HB2 H 3.07 0.03 2 1104 . 102 ASP HB3 H 2.60 0.03 2 1105 . 102 ASP C C 177.2 0.3 1 1106 . 103 GLY N N 107.7 0.3 1 1107 . 103 GLY H H 8.06 0.03 1 1108 . 103 GLY CA C 45.0 0.3 1 1109 . 103 GLY HA2 H 4.28 0.03 2 1110 . 103 GLY HA3 H 3.41 0.03 2 1111 . 103 GLY C C 174.8 0.3 1 1112 . 104 THR N N 114.3 0.3 1 1113 . 104 THR H H 7.92 0.03 1 1114 . 104 THR CA C 61.2 0.3 1 1115 . 104 THR HA H 4.31 0.03 1 1116 . 104 THR CB C 70.7 0.3 1 1117 . 104 THR HB H 4.79 0.03 1 1118 . 104 THR HG2 H 1.14 0.03 1 1119 . 104 THR CG2 C 22.1 0.3 1 1120 . 104 THR C C 172.5 0.3 1 1121 . 105 TRP N N 118.7 0.3 1 1122 . 105 TRP H H 8.49 0.03 1 1123 . 105 TRP CA C 56.0 0.3 1 1124 . 105 TRP HA H 5.04 0.03 1 1125 . 105 TRP CB C 31.1 0.3 1 1126 . 105 TRP HB2 H 3.08 0.03 1 1127 . 105 TRP HB3 H 3.08 0.03 1 1128 . 105 TRP CD1 C 127.7 0.3 1 1129 . 105 TRP NE1 N 128.5 0.3 1 1130 . 105 TRP HD1 H 7.33 0.03 1 1131 . 105 TRP CZ2 C 114.8 0.3 1 1132 . 105 TRP HE1 H 10.15 0.03 1 1133 . 105 TRP HZ2 H 7.47 0.03 1 1134 . 105 TRP C C 177.4 0.3 1 1135 . 106 GLU N N 124.7 0.3 1 1136 . 106 GLU H H 8.91 0.03 1 1137 . 106 GLU CA C 56.1 0.3 1 1138 . 106 GLU HA H 4.36 0.03 1 1139 . 106 GLU CB C 31.4 0.3 1 1140 . 106 GLU HB2 H 2.29 0.03 1 1141 . 106 GLU HB3 H 2.29 0.03 1 1142 . 106 GLU CG C 36.4 0.3 1 1143 . 106 GLU HG2 H 2.80 0.03 2 1144 . 106 GLU HG3 H 2.55 0.03 2 1145 . 106 GLU C C 175.4 0.3 1 1146 . 107 ASP N N 122.9 0.3 1 1147 . 107 ASP H H 8.55 0.03 1 1148 . 107 ASP CA C 53.8 0.3 1 1149 . 107 ASP HA H 4.81 0.03 1 1150 . 107 ASP CB C 39.5 0.3 1 1151 . 107 ASP HB2 H 2.83 0.03 2 1152 . 107 ASP HB3 H 2.54 0.03 2 1153 . 108 PRO CD C 50.0 0.3 1 1154 . 108 PRO CA C 62.6 0.3 1 1155 . 108 PRO HA H 4.65 0.03 1 1156 . 108 PRO CB C 32.2 0.3 1 1157 . 108 PRO HB2 H 2.13 0.03 2 1158 . 108 PRO HB3 H 1.97 0.03 2 1159 . 108 PRO CG C 27.9 0.3 1 1160 . 108 PRO HG2 H 2.13 0.03 2 1161 . 108 PRO HG3 H 1.92 0.03 2 1162 . 108 PRO HD2 H 3.72 0.03 1 1163 . 108 PRO HD3 H 3.72 0.03 1 1164 . 108 PRO C C 176.9 0.3 1 1165 . 109 VAL N N 123.7 0.3 1 1166 . 109 VAL H H 8.92 0.03 1 1167 . 109 VAL CA C 61.6 0.3 1 1168 . 109 VAL HA H 4.03 0.03 1 1169 . 109 VAL CB C 33.2 0.3 1 1170 . 109 VAL HB H 2.16 0.03 1 1171 . 109 VAL HG1 H 0.99 0.03 2 1172 . 109 VAL HG2 H 0.88 0.03 2 1173 . 109 VAL CG1 C 22.6 0.3 1 1174 . 109 VAL CG2 C 20.7 0.3 1 1175 . 109 VAL C C 175.1 0.3 1 1176 . 110 ASP N N 125.3 0.3 1 1177 . 110 ASP H H 8.33 0.03 1 1178 . 110 ASP CA C 52.1 0.3 1 1179 . 110 ASP HA H 4.81 0.03 1 1180 . 110 ASP CB C 39.9 0.3 1 1181 . 110 ASP HB2 H 2.92 0.03 2 1182 . 110 ASP HB3 H 2.66 0.03 2 1183 . 110 ASP C C 176.5 0.3 1 1184 . 111 LEU N N 126.1 0.3 1 1185 . 111 LEU H H 8.66 0.03 1 1186 . 111 LEU CA C 57.6 0.3 1 1187 . 111 LEU HA H 3.70 0.03 1 1188 . 111 LEU CB C 42.4 0.3 1 1189 . 111 LEU HB2 H 1.74 0.03 2 1190 . 111 LEU HB3 H 1.13 0.03 2 1191 . 111 LEU CG C 27.0 0.3 1 1192 . 111 LEU HG H 1.77 0.03 1 1193 . 111 LEU HD1 H 0.77 0.03 2 1194 . 111 LEU HD2 H 0.71 0.03 2 1195 . 111 LEU CD1 C 25.3 0.3 1 1196 . 111 LEU CD2 C 23.7 0.3 1 1197 . 111 LEU C C 179.0 0.3 1 1198 . 112 ASN N N 111.8 0.3 1 1199 . 112 ASN H H 8.10 0.03 1 1200 . 112 ASN CA C 56.0 0.3 1 1201 . 112 ASN HA H 4.29 0.03 1 1202 . 112 ASN CB C 38.3 0.3 1 1203 . 112 ASN HB2 H 2.92 0.03 2 1204 . 112 ASN HB3 H 2.69 0.03 2 1205 . 112 ASN C C 177.6 0.3 1 1206 . 113 LYS N N 119.3 0.3 1 1207 . 113 LYS H H 7.49 0.03 1 1208 . 113 LYS CA C 58.0 0.3 1 1209 . 113 LYS HA H 3.85 0.03 1 1210 . 113 LYS CB C 32.6 0.3 1 1211 . 113 LYS HB2 H 1.44 0.03 2 1212 . 113 LYS HB3 H 1.27 0.03 2 1213 . 113 LYS CG C 25.4 0.3 1 1214 . 113 LYS HG2 H 1.12 0.03 2 1215 . 113 LYS HG3 H 0.64 0.03 2 1216 . 113 LYS CD C 29.6 0.3 1 1217 . 113 LYS HD2 H 1.59 0.03 2 1218 . 113 LYS HD3 H 1.52 0.03 2 1219 . 113 LYS CE C 42.2 0.3 1 1220 . 113 LYS HE2 H 2.94 0.03 1 1221 . 113 LYS HE3 H 2.94 0.03 1 1222 . 113 LYS C C 177.2 0.3 1 1223 . 114 TYR N N 114.5 0.3 1 1224 . 114 TYR H H 6.78 0.03 1 1225 . 114 TYR CA C 57.3 0.3 1 1226 . 114 TYR HA H 4.64 0.03 1 1227 . 114 TYR CB C 40.6 0.3 1 1228 . 114 TYR HB2 H 3.23 0.03 2 1229 . 114 TYR HB3 H 2.00 0.03 2 1230 . 114 TYR HD1 H 6.82 0.03 1 1231 . 114 TYR HD2 H 6.82 0.03 1 1232 . 114 TYR CD1 C 133.3 0.3 1 1233 . 114 TYR C C 173.7 0.3 1 1234 . 115 LYS N N 122.3 0.3 1 1235 . 115 LYS H H 7.00 0.03 1 1236 . 115 LYS CA C 56.9 0.3 1 1237 . 115 LYS HA H 4.51 0.03 1 1238 . 115 LYS CB C 33.1 0.3 1 1239 . 115 LYS HB2 H 1.82 0.03 2 1240 . 115 LYS HB3 H 1.48 0.03 2 1241 . 115 LYS CG C 23.9 0.3 1 1242 . 115 LYS CD C 29.6 0.3 1 1243 . 115 LYS CE C 42.1 0.3 1 1244 . 115 LYS HE2 H 3.09 0.03 2 1245 . 115 LYS HE3 H 2.95 0.03 2 1246 . 115 LYS C C 175.7 0.3 1 1247 . 116 ARG N N 127.7 0.3 1 1248 . 116 ARG H H 9.19 0.03 1 1249 . 116 ARG CA C 53.4 0.3 1 1250 . 116 ARG HA H 4.55 0.03 1 1251 . 116 ARG CB C 32.9 0.3 1 1252 . 116 ARG HB2 H 1.90 0.03 2 1253 . 116 ARG HB3 H 1.51 0.03 2 1254 . 116 ARG CG C 27.1 0.3 1 1255 . 116 ARG HG2 H 1.55 0.03 1 1256 . 116 ARG HG3 H 1.55 0.03 1 1257 . 116 ARG CD C 43.1 0.3 1 1258 . 116 ARG HD2 H 3.36 0.03 2 1259 . 116 ARG HD3 H 3.23 0.03 2 1260 . 116 ARG C C 172.9 0.3 1 1261 . 117 PHE N N 115.0 0.3 1 1262 . 117 PHE H H 8.47 0.03 1 1263 . 117 PHE CA C 56.7 0.3 1 1264 . 117 PHE HA H 5.62 0.03 1 1265 . 117 PHE CB C 42.6 0.3 1 1266 . 117 PHE HB2 H 2.77 0.03 2 1267 . 117 PHE HB3 H 2.52 0.03 2 1268 . 117 PHE HD1 H 6.95 0.03 1 1269 . 117 PHE HD2 H 6.95 0.03 1 1270 . 117 PHE HE1 H 7.27 0.03 1 1271 . 117 PHE HE2 H 7.27 0.03 1 1272 . 117 PHE CD1 C 132.1 0.3 1 1273 . 117 PHE C C 176.3 0.3 1 1274 . 118 VAL N N 122.6 0.3 1 1275 . 118 VAL H H 9.26 0.03 1 1276 . 118 VAL CA C 60.2 0.3 1 1277 . 118 VAL HA H 4.39 0.03 1 1278 . 118 VAL CB C 34.5 0.3 1 1279 . 118 VAL HB H 1.89 0.03 1 1280 . 118 VAL HG1 H 0.86 0.03 2 1281 . 118 VAL HG2 H 0.91 0.03 2 1282 . 118 VAL CG1 C 21.8 0.3 1 1283 . 118 VAL CG2 C 21.9 0.3 1 1284 . 118 VAL C C 174.9 0.3 1 1285 . 119 GLU N N 127.9 0.3 1 1286 . 119 GLU H H 8.85 0.03 1 1287 . 119 GLU CA C 54.8 0.3 1 1288 . 119 GLU HA H 5.39 0.03 1 1289 . 119 GLU CB C 30.0 0.3 1 1290 . 119 GLU HB2 H 2.04 0.03 2 1291 . 119 GLU HB3 H 1.92 0.03 2 1292 . 119 GLU CG C 36.8 0.3 1 1293 . 119 GLU HG2 H 2.19 0.03 2 1294 . 119 GLU HG3 H 2.06 0.03 2 1295 . 119 GLU C C 176.0 0.3 1 1296 . 120 THR N N 121.3 0.3 1 1297 . 120 THR H H 8.56 0.03 1 1298 . 120 THR CA C 61.0 0.3 1 1299 . 120 THR HA H 4.64 0.03 1 1300 . 120 THR CB C 69.2 0.3 1 1301 . 120 THR HB H 4.10 0.03 1 1302 . 120 THR HG2 H 1.06 0.03 1 1303 . 120 THR CG2 C 19.3 0.3 1 1304 . 121 HIS CA C 57.8 0.3 1 1305 . 121 HIS HA H 3.98 0.03 1 1306 . 121 HIS CB C 28.3 0.3 1 1307 . 121 HIS HB2 H 3.34 0.03 2 1308 . 121 HIS HB3 H 2.91 0.03 2 1309 . 121 HIS C C 175.2 0.3 1 1310 . 122 GLY N N 103.8 0.3 1 1311 . 122 GLY H H 8.75 0.03 1 1312 . 122 GLY CA C 45.8 0.3 1 1313 . 122 GLY HA2 H 4.13 0.03 2 1314 . 122 GLY HA3 H 3.67 0.03 2 1315 . 122 GLY C C 174.2 0.3 1 1316 . 123 MET N N 119.9 0.3 1 1317 . 123 MET H H 8.18 0.03 1 1318 . 123 MET CA C 54.8 0.3 1 1319 . 123 MET HA H 4.12 0.03 1 1320 . 123 MET CB C 37.1 0.3 1 1321 . 123 MET HB2 H 1.93 0.03 1 1322 . 123 MET HB3 H 1.93 0.03 1 1323 . 123 MET CG C 32.6 0.3 1 1324 . 123 MET HG2 H 2.28 0.03 1 1325 . 123 MET HG3 H 2.28 0.03 1 1326 . 123 MET C C 174.1 0.3 1 1327 . 124 LYS N N 121.6 0.3 1 1328 . 124 LYS H H 7.17 0.03 1 1329 . 124 LYS CA C 55.2 0.3 1 1330 . 124 LYS HA H 4.64 0.03 1 1331 . 124 LYS CB C 32.7 0.3 1 1332 . 124 LYS HB2 H 1.76 0.03 1 1333 . 124 LYS HB3 H 1.76 0.03 1 1334 . 124 LYS CG C 25.9 0.3 1 1335 . 124 LYS HG2 H 1.25 0.03 2 1336 . 124 LYS HG3 H 1.17 0.03 2 1337 . 124 LYS CD C 29.7 0.3 1 1338 . 124 LYS HD2 H 1.45 0.03 1 1339 . 124 LYS HD3 H 1.45 0.03 1 1340 . 124 LYS CE C 41.8 0.3 1 1341 . 124 LYS HE2 H 2.56 0.03 2 1342 . 124 LYS HE3 H 2.36 0.03 2 1343 . 124 LYS C C 174.1 0.3 1 1344 . 125 ILE N N 127.0 0.3 1 1345 . 125 ILE H H 9.04 0.03 1 1346 . 125 ILE CA C 56.9 0.3 1 1347 . 125 ILE HA H 4.52 0.03 1 1348 . 125 ILE CB C 39.1 0.3 1 1349 . 125 ILE HB H 2.18 0.03 1 1350 . 125 ILE HG2 H 0.83 0.03 1 1351 . 125 ILE CG2 C 17.4 0.3 1 1352 . 125 ILE CG1 C 27.6 0.3 1 1353 . 125 ILE HG12 H 1.41 0.03 1 1354 . 125 ILE HG13 H 1.41 0.03 1 1355 . 125 ILE HD1 H 0.85 0.03 1 1356 . 125 ILE CD1 C 12.5 0.3 1 1357 . 126 PRO CD C 51.5 0.3 1 1358 . 126 PRO CA C 61.3 0.3 1 1359 . 126 PRO HA H 4.62 0.03 1 1360 . 126 PRO CB C 32.4 0.3 1 1361 . 126 PRO HB2 H 1.89 0.03 1 1362 . 126 PRO HB3 H 1.89 0.03 1 1363 . 126 PRO HG2 H 2.27 0.03 2 1364 . 126 PRO HG3 H 1.57 0.03 2 1365 . 126 PRO HD2 H 2.87 0.03 1 1366 . 126 PRO HD3 H 2.87 0.03 1 1367 . 126 PRO C C 175.2 0.3 1 1368 . 127 VAL N N 117.1 0.3 1 1369 . 127 VAL H H 8.77 0.03 1 1370 . 127 VAL CA C 58.5 0.3 1 1371 . 127 VAL HA H 5.18 0.03 1 1372 . 127 VAL CB C 35.9 0.3 1 1373 . 127 VAL HB H 2.42 0.03 1 1374 . 127 VAL HG1 H 0.79 0.03 2 1375 . 127 VAL HG2 H 0.35 0.03 2 1376 . 127 VAL CG1 C 22.7 0.3 1 1377 . 127 VAL CG2 C 19.8 0.3 1 1378 . 127 VAL C C 173.7 0.3 1 1379 . 128 LEU N N 119.3 0.3 1 1380 . 128 LEU H H 8.13 0.03 1 1381 . 128 LEU CA C 53.1 0.3 1 1382 . 128 LEU HA H 4.82 0.03 1 1383 . 128 LEU CB C 43.9 0.3 1 1384 . 128 LEU HB2 H 1.80 0.03 2 1385 . 128 LEU HB3 H 1.57 0.03 2 1386 . 128 LEU CG C 26.6 0.3 1 1387 . 128 LEU HG H 1.57 0.03 1 1388 . 128 LEU HD1 H 0.78 0.03 2 1389 . 128 LEU HD2 H 0.72 0.03 2 1390 . 128 LEU CD1 C 25.0 0.3 1 1391 . 128 LEU CD2 C 25.0 0.3 1 1392 . 128 LEU C C 177.3 0.3 1 1393 . 129 SER N N 115.5 0.3 1 1394 . 129 SER H H 8.26 0.03 1 1395 . 129 SER CA C 57.9 0.3 1 1396 . 129 SER HA H 4.49 0.03 1 1397 . 129 SER CB C 63.9 0.3 1 1398 . 129 SER HB2 H 4.46 0.03 2 1399 . 129 SER HB3 H 4.08 0.03 2 1400 . 129 SER C C 175.6 0.3 1 1401 . 130 LEU N N 126.2 0.3 1 1402 . 130 LEU H H 9.12 0.03 1 1403 . 130 LEU CA C 57.3 0.3 1 1404 . 130 LEU HA H 4.01 0.03 1 1405 . 130 LEU CB C 42.1 0.3 1 1406 . 130 LEU HB2 H 1.96 0.03 2 1407 . 130 LEU HB3 H 1.28 0.03 2 1408 . 130 LEU CG C 27.1 0.3 1 1409 . 130 LEU HG H 1.83 0.03 1 1410 . 130 LEU HD1 H 0.73 0.03 2 1411 . 130 LEU HD2 H 0.75 0.03 2 1412 . 130 LEU CD1 C 26.9 0.3 1 1413 . 130 LEU CD2 C 24.4 0.3 1 1414 . 130 LEU C C 179.0 0.3 1 1415 . 131 GLU N N 117.5 0.3 1 1416 . 131 GLU H H 8.74 0.03 1 1417 . 131 GLU CA C 60.3 0.3 1 1418 . 131 GLU HA H 4.02 0.03 1 1419 . 131 GLU CB C 29.3 0.3 1 1420 . 131 GLU HB2 H 2.10 0.03 1 1421 . 131 GLU HB3 H 2.10 0.03 1 1422 . 131 GLU CG C 37.2 0.3 1 1423 . 131 GLU HG2 H 2.50 0.03 2 1424 . 131 GLU HG3 H 2.38 0.03 2 1425 . 131 GLU C C 179.1 0.3 1 1426 . 132 TYR N N 120.2 0.3 1 1427 . 132 TYR H H 7.60 0.03 1 1428 . 132 TYR CA C 61.5 0.3 1 1429 . 132 TYR HA H 3.95 0.03 1 1430 . 132 TYR CB C 38.1 0.3 1 1431 . 132 TYR HB2 H 3.05 0.03 2 1432 . 132 TYR HB3 H 2.70 0.03 2 1433 . 132 TYR HD1 H 6.35 0.03 1 1434 . 132 TYR HD2 H 6.35 0.03 1 1435 . 132 TYR HE1 H 6.47 0.03 1 1436 . 132 TYR HE2 H 6.47 0.03 1 1437 . 132 TYR CD1 C 132.7 0.3 1 1438 . 132 TYR C C 177.5 0.3 1 1439 . 133 GLU N N 119.0 0.3 1 1440 . 133 GLU H H 8.29 0.03 1 1441 . 133 GLU CA C 59.8 0.3 1 1442 . 133 GLU HA H 4.21 0.03 1 1443 . 133 GLU CB C 29.2 0.3 1 1444 . 133 GLU HB2 H 2.26 0.03 1 1445 . 133 GLU HB3 H 2.26 0.03 1 1446 . 133 GLU CG C 36.5 0.3 1 1447 . 133 GLU HG2 H 2.41 0.03 1 1448 . 133 GLU HG3 H 2.41 0.03 1 1449 . 133 GLU C C 178.3 0.3 1 1450 . 134 TYR N N 118.2 0.3 1 1451 . 134 TYR H H 8.46 0.03 1 1452 . 134 TYR CA C 61.4 0.3 1 1453 . 134 TYR HA H 4.03 0.03 1 1454 . 134 TYR CB C 38.1 0.3 1 1455 . 134 TYR HB2 H 3.03 0.03 1 1456 . 134 TYR HB3 H 3.03 0.03 1 1457 . 134 TYR HD1 H 7.19 0.03 1 1458 . 134 TYR HD2 H 7.19 0.03 1 1459 . 134 TYR HE1 H 6.75 0.03 1 1460 . 134 TYR HE2 H 6.75 0.03 1 1461 . 134 TYR CD1 C 133.3 0.3 1 1462 . 134 TYR C C 175.8 0.3 1 1463 . 135 GLN N N 116.2 0.3 1 1464 . 135 GLN H H 7.17 0.03 1 1465 . 135 GLN CA C 58.0 0.3 1 1466 . 135 GLN HA H 3.50 0.03 1 1467 . 135 GLN CB C 27.6 0.3 1 1468 . 135 GLN HB2 H 1.96 0.03 1 1469 . 135 GLN HB3 H 1.96 0.03 1 1470 . 135 GLN CG C 33.5 0.3 1 1471 . 135 GLN HG2 H 2.58 0.03 2 1472 . 135 GLN HG3 H 2.44 0.03 2 1473 . 135 GLN NE2 N 111.9 0.3 1 1474 . 135 GLN HE21 H 7.40 0.03 2 1475 . 135 GLN HE22 H 6.87 0.03 2 1476 . 135 GLN C C 178.9 0.3 1 1477 . 136 ALA N N 123.7 0.3 1 1478 . 136 ALA H H 8.40 0.03 1 1479 . 136 ALA CA C 55.0 0.3 1 1480 . 136 ALA HA H 3.78 0.03 1 1481 . 136 ALA HB H 1.11 0.03 1 1482 . 136 ALA CB C 17.9 0.3 1 1483 . 136 ALA C C 180.0 0.3 1 1484 . 137 TYR N N 117.9 0.3 1 1485 . 137 TYR H H 8.67 0.03 1 1486 . 137 TYR CA C 60.7 0.3 1 1487 . 137 TYR HA H 4.14 0.03 1 1488 . 137 TYR CB C 37.1 0.3 1 1489 . 137 TYR HB2 H 3.17 0.03 2 1490 . 137 TYR HB3 H 3.08 0.03 2 1491 . 137 TYR HD1 H 7.11 0.03 1 1492 . 137 TYR HD2 H 7.11 0.03 1 1493 . 137 TYR HE1 H 6.97 0.03 1 1494 . 137 TYR HE2 H 6.97 0.03 1 1495 . 137 TYR CD1 C 131.8 0.3 1 1496 . 137 TYR CE1 C 119.0 0.3 1 1497 . 137 TYR C C 179.1 0.3 1 1498 . 138 LEU N N 119.6 0.3 1 1499 . 138 LEU H H 7.86 0.03 1 1500 . 138 LEU CA C 57.8 0.3 1 1501 . 138 LEU HA H 3.80 0.03 1 1502 . 138 LEU CB C 41.7 0.3 1 1503 . 138 LEU HB2 H 1.56 0.03 2 1504 . 138 LEU HB3 H 1.36 0.03 2 1505 . 138 LEU CG C 26.6 0.3 1 1506 . 138 LEU HG H 1.30 0.03 1 1507 . 138 LEU HD1 H 0.60 0.03 2 1508 . 138 LEU HD2 H 0.70 0.03 2 1509 . 138 LEU CD1 C 24.8 0.3 1 1510 . 138 LEU CD2 C 23.7 0.3 1 1511 . 138 LEU C C 181.1 0.3 1 1512 . 139 LYS N N 120.7 0.3 1 1513 . 139 LYS H H 7.97 0.03 1 1514 . 139 LYS CA C 58.8 0.3 1 1515 . 139 LYS HA H 4.02 0.03 1 1516 . 139 LYS CB C 32.2 0.3 1 1517 . 139 LYS HB2 H 1.88 0.03 1 1518 . 139 LYS HB3 H 1.88 0.03 1 1519 . 139 LYS CG C 25.9 0.3 1 1520 . 139 LYS HG2 H 1.57 0.03 2 1521 . 139 LYS HG3 H 1.43 0.03 2 1522 . 139 LYS CD C 29.4 0.3 1 1523 . 139 LYS HD2 H 1.67 0.03 1 1524 . 139 LYS HD3 H 1.67 0.03 1 1525 . 139 LYS CE C 41.7 0.3 1 1526 . 139 LYS HE2 H 2.93 0.03 1 1527 . 139 LYS HE3 H 2.93 0.03 1 1528 . 139 LYS C C 178.4 0.3 1 1529 . 140 LEU N N 116.9 0.3 1 1530 . 140 LEU H H 7.75 0.03 1 1531 . 140 LEU CA C 54.8 0.3 1 1532 . 140 LEU HA H 4.29 0.03 1 1533 . 140 LEU CB C 43.1 0.3 1 1534 . 140 LEU HB2 H 1.64 0.03 1 1535 . 140 LEU HB3 H 1.64 0.03 1 1536 . 140 LEU CG C 27.6 0.3 1 1537 . 140 LEU HG H 1.52 0.03 1 1538 . 140 LEU HD1 H 0.77 0.03 2 1539 . 140 LEU HD2 H 0.84 0.03 2 1540 . 140 LEU CD1 C 25.6 0.3 1 1541 . 140 LEU CD2 C 23.5 0.3 1 1542 . 140 LEU C C 177.0 0.3 1 1543 . 141 GLY N N 107.9 0.3 1 1544 . 141 GLY H H 7.82 0.03 1 1545 . 141 GLY CA C 46.0 0.3 1 1546 . 141 GLY HA2 H 4.18 0.03 2 1547 . 141 GLY HA3 H 3.81 0.03 2 1548 . 141 GLY C C 175.6 0.3 1 1549 . 142 ARG N N 123.5 0.3 1 1550 . 142 ARG H H 8.29 0.03 1 1551 . 142 ARG CA C 54.0 0.3 1 1552 . 142 ARG HA H 4.69 0.03 1 1553 . 142 ARG CB C 27.9 0.3 1 1554 . 142 ARG HB2 H 1.93 0.03 2 1555 . 142 ARG HB3 H 1.75 0.03 2 1556 . 142 ARG CG C 26.8 0.3 1 1557 . 142 ARG HG2 H 1.59 0.03 1 1558 . 142 ARG HG3 H 1.59 0.03 1 1559 . 142 ARG CD C 43.6 0.3 1 1560 . 142 ARG HD2 H 2.99 0.03 2 1561 . 142 ARG HD3 H 2.81 0.03 2 1562 . 142 ARG C C 176.7 0.3 1 1563 . 143 VAL N N 118.1 0.3 1 1564 . 143 VAL H H 7.52 0.03 1 1565 . 143 VAL CA C 66.2 0.3 1 1566 . 143 VAL HA H 3.53 0.03 1 1567 . 143 VAL CB C 31.9 0.3 1 1568 . 143 VAL HB H 2.11 0.03 1 1569 . 143 VAL HG1 H 0.97 0.03 2 1570 . 143 VAL HG2 H 1.01 0.03 2 1571 . 143 VAL CG1 C 21.9 0.3 1 1572 . 143 VAL CG2 C 21.1 0.3 1 1573 . 143 VAL C C 177.8 0.3 1 1574 . 144 GLU H H 8.74 0.03 1 1575 . 144 GLU CA C 59.5 0.3 1 1576 . 144 GLU HA H 4.18 0.03 1 1577 . 144 GLU CB C 28.8 0.3 1 1578 . 144 GLU HB2 H 2.13 0.03 1 1579 . 144 GLU HB3 H 2.13 0.03 1 1580 . 144 GLU CG C 36.7 0.3 1 1581 . 144 GLU HG2 H 2.34 0.03 1 1582 . 144 GLU HG3 H 2.34 0.03 1 1583 . 144 GLU C C 179.8 0.3 1 1584 . 145 LYS N N 120.0 0.3 1 1585 . 145 LYS H H 7.94 0.03 1 1586 . 145 LYS CA C 58.1 0.3 1 1587 . 145 LYS HA H 4.06 0.03 1 1588 . 145 LYS CB C 32.4 0.3 1 1589 . 145 LYS HB2 H 1.54 0.03 2 1590 . 145 LYS HB3 H 1.33 0.03 2 1591 . 145 LYS CG C 26.4 0.3 1 1592 . 145 LYS HG2 H 1.50 0.03 2 1593 . 145 LYS HG3 H 1.41 0.03 2 1594 . 145 LYS HD2 H 1.55 0.03 1 1595 . 145 LYS HD3 H 1.55 0.03 1 1596 . 145 LYS CE C 42.2 0.3 1 1597 . 145 LYS HE2 H 3.00 0.03 1 1598 . 145 LYS HE3 H 3.00 0.03 1 1599 . 145 LYS C C 178.9 0.3 1 1600 . 146 ALA N N 120.0 0.3 1 1601 . 146 ALA H H 8.21 0.03 1 1602 . 146 ALA CA C 55.5 0.3 1 1603 . 146 ALA HA H 4.13 0.03 1 1604 . 146 ALA HB H 1.52 0.03 1 1605 . 146 ALA CB C 18.5 0.3 1 1606 . 146 ALA C C 179.1 0.3 1 1607 . 147 GLU N N 118.1 0.3 1 1608 . 147 GLU H H 8.31 0.03 1 1609 . 147 GLU CA C 58.9 0.3 1 1610 . 147 GLU HA H 4.31 0.03 1 1611 . 147 GLU CB C 29.1 0.3 1 1612 . 147 GLU HB2 H 2.26 0.03 2 1613 . 147 GLU HB3 H 2.11 0.03 2 1614 . 147 GLU CG C 36.1 0.3 1 1615 . 147 GLU HG2 H 2.43 0.03 2 1616 . 147 GLU HG3 H 2.37 0.03 2 1617 . 147 GLU C C 178.7 0.3 1 1618 . 148 THR N N 116.4 0.3 1 1619 . 148 THR H H 7.78 0.03 1 1620 . 148 THR CA C 66.3 0.3 1 1621 . 148 THR HA H 3.90 0.03 1 1622 . 148 THR CB C 68.5 0.3 1 1623 . 148 THR HB H 4.23 0.03 1 1624 . 148 THR HG2 H 1.10 0.03 1 1625 . 148 THR CG2 C 21.6 0.3 1 1626 . 148 THR C C 176.6 0.3 1 1627 . 149 LEU N N 120.4 0.3 1 1628 . 149 LEU H H 7.48 0.03 1 1629 . 149 LEU CA C 57.4 0.3 1 1630 . 149 LEU HA H 4.00 0.03 1 1631 . 149 LEU CB C 42.2 0.3 1 1632 . 149 LEU HB2 H 1.95 0.03 2 1633 . 149 LEU HB3 H 1.33 0.03 2 1634 . 149 LEU CG C 26.8 0.3 1 1635 . 149 LEU HG H 1.41 0.03 1 1636 . 149 LEU HD1 H 0.46 0.03 2 1637 . 149 LEU HD2 H 0.13 0.03 2 1638 . 149 LEU CD1 C 24.9 0.3 1 1639 . 149 LEU CD2 C 23.1 0.3 1 1640 . 149 LEU C C 177.6 0.3 1 1641 . 150 ARG N N 120.5 0.3 1 1642 . 150 ARG H H 8.70 0.03 1 1643 . 150 ARG CA C 59.3 0.3 1 1644 . 150 ARG HA H 3.31 0.03 1 1645 . 150 ARG CB C 30.4 0.3 1 1646 . 150 ARG HB2 H 1.91 0.03 1 1647 . 150 ARG HB3 H 1.91 0.03 1 1648 . 150 ARG CG C 26.3 0.3 1 1649 . 150 ARG HG2 H 1.37 0.03 2 1650 . 150 ARG HG3 H 1.32 0.03 2 1651 . 150 ARG CD C 43.1 0.3 1 1652 . 150 ARG HD2 H 3.11 0.03 1 1653 . 150 ARG HD3 H 3.11 0.03 1 1654 . 150 ARG C C 178.7 0.3 1 1655 . 151 LYS N N 117.1 0.3 1 1656 . 151 LYS H H 8.10 0.03 1 1657 . 151 LYS CA C 59.4 0.3 1 1658 . 151 LYS HA H 3.90 0.03 1 1659 . 151 LYS CB C 32.5 0.3 1 1660 . 151 LYS HB2 H 1.86 0.03 1 1661 . 151 LYS HB3 H 1.86 0.03 1 1662 . 151 LYS CG C 26.0 0.3 1 1663 . 151 LYS HG2 H 1.56 0.03 2 1664 . 151 LYS HG3 H 1.36 0.03 2 1665 . 151 LYS CD C 29.5 0.3 1 1666 . 151 LYS HD2 H 1.70 0.03 1 1667 . 151 LYS HD3 H 1.70 0.03 1 1668 . 151 LYS CE C 42.1 0.3 1 1669 . 151 LYS HE2 H 2.99 0.03 1 1670 . 151 LYS HE3 H 2.99 0.03 1 1671 . 151 LYS C C 178.6 0.3 1 1672 . 152 TRP N N 119.9 0.3 1 1673 . 152 TRP H H 7.54 0.03 1 1674 . 152 TRP CA C 60.3 0.3 1 1675 . 152 TRP HA H 4.26 0.03 1 1676 . 152 TRP CB C 29.4 0.3 1 1677 . 152 TRP HB2 H 3.29 0.03 1 1678 . 152 TRP HB3 H 3.29 0.03 1 1679 . 152 TRP CD1 C 126.2 0.3 1 1680 . 152 TRP NE1 N 128.6 0.3 1 1681 . 152 TRP HD1 H 7.07 0.03 1 1682 . 152 TRP CZ2 C 114.7 0.3 1 1683 . 152 TRP HE1 H 9.95 0.03 1 1684 . 152 TRP HZ2 H 7.39 0.03 1 1685 . 152 TRP C C 178.6 0.3 1 1686 . 153 LEU N N 118.5 0.3 1 1687 . 153 LEU H H 8.72 0.03 1 1688 . 153 LEU CA C 57.2 0.3 1 1689 . 153 LEU HA H 3.85 0.03 1 1690 . 153 LEU CB C 42.0 0.3 1 1691 . 153 LEU HB2 H 1.76 0.03 2 1692 . 153 LEU HB3 H 1.34 0.03 2 1693 . 153 LEU CG C 27.6 0.3 1 1694 . 153 LEU HG H 1.84 0.03 1 1695 . 153 LEU HD1 H 0.57 0.03 2 1696 . 153 LEU HD2 H 0.95 0.03 2 1697 . 153 LEU CD1 C 25.5 0.3 1 1698 . 153 LEU CD2 C 23.5 0.3 1 1699 . 153 LEU C C 179.6 0.3 1 1700 . 154 ASN N N 117.0 0.3 1 1701 . 154 ASN H H 8.21 0.03 1 1702 . 154 ASN CA C 54.8 0.3 1 1703 . 154 ASN HA H 4.49 0.03 1 1704 . 154 ASN CB C 39.0 0.3 1 1705 . 154 ASN HB2 H 2.83 0.03 1 1706 . 154 ASN HB3 H 2.83 0.03 1 1707 . 154 ASN C C 176.9 0.3 1 1708 . 155 GLU N N 119.2 0.3 1 1709 . 155 GLU H H 7.74 0.03 1 1710 . 155 GLU CA C 57.2 0.3 1 1711 . 155 GLU HA H 4.17 0.03 1 1712 . 155 GLU CB C 29.8 0.3 1 1713 . 155 GLU HB2 H 1.98 0.03 1 1714 . 155 GLU HB3 H 1.98 0.03 1 1715 . 155 GLU CG C 36.3 0.3 1 1716 . 155 GLU HG2 H 2.35 0.03 2 1717 . 155 GLU HG3 H 2.23 0.03 2 1718 . 155 GLU C C 177.2 0.3 1 1719 . 156 ARG N N 119.2 0.3 1 1720 . 156 ARG H H 7.64 0.03 1 1721 . 156 ARG CA C 56.2 0.3 1 1722 . 156 ARG HA H 4.04 0.03 1 1723 . 156 ARG CB C 30.1 0.3 1 1724 . 156 ARG HB2 H 1.65 0.03 2 1725 . 156 ARG HB3 H 1.46 0.03 2 1726 . 156 ARG CG C 26.4 0.3 1 1727 . 156 ARG HG2 H 1.31 0.03 2 1728 . 156 ARG HG3 H 1.25 0.03 2 1729 . 156 ARG CD C 43.1 0.3 1 1730 . 156 ARG HD2 H 2.73 0.03 1 1731 . 156 ARG HD3 H 2.73 0.03 1 stop_ save_