data_5267 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, 15N NMR sequencespecific resonance assignment of a Clostridium thermocellum type II cohesin module ; _BMRB_accession_number 5267 _BMRB_flat_file_name bmr5267.str _Entry_type original _Submission_date 2002-01-28 _Accession_date 2002-01-28 _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 Smith Steven P . 2 Beguin Pierre . . 3 Alzari Pedro M . 4 Gehring Kalle . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 766 "13C chemical shifts" 650 "15N chemical shifts" 162 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2002-08-23 original author . stop_ _Original_release_date 2002-08-23 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: 1H, 13C, 15N NMR sequence-specific resonance assignment of a Clostridium thermocellum type II cohesin module ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 22056594 _PubMed_ID 12061722 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Smith Steven P . 2 Beguin Pierre . . 3 Alzari Pedro M . 4 Gehring Kalle . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 23 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 73 _Page_last 74 _Year 2002 _Details . loop_ _Keyword 'NMR resonance assignment' 'type II cohesin' 'Clostridium thermocellum' cellulosome stop_ save_ ################################## # Molecular system description # ################################## save_system_type_II_cohesin _Saveframe_category molecular_system _Mol_system_name 'SdbA type II cohesin module' _Abbreviation_common 'type II cohesin' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'SdbA cohesin module' $SdbA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_SdbA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'SdbA type II cohesin' _Abbreviation_common SdbA _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 187 _Mol_residue_sequence ; MRGSHHHHHHTDLRADKASS IELKFDRNKGEVGDILIGTV RINNIKNFAGFQVNIVYDPK VLMAVDPETGKEFTSSTFPP GRTVLKNNAYGPIQIADNDP EKGILNFALAYSYIAGYKET GVAEESGIIAKIGFKILQKK STAVKFQDTLSMPGAISGTQ LFDWDGEVITGYEVIQPDVL SLGDEPF ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ARG 3 GLY 4 SER 5 HIS 6 HIS 7 HIS 8 HIS 9 HIS 10 HIS 11 THR 12 ASP 13 LEU 14 ARG 15 ALA 16 ASP 17 LYS 18 ALA 19 SER 20 SER 21 ILE 22 GLU 23 LEU 24 LYS 25 PHE 26 ASP 27 ARG 28 ASN 29 LYS 30 GLY 31 GLU 32 VAL 33 GLY 34 ASP 35 ILE 36 LEU 37 ILE 38 GLY 39 THR 40 VAL 41 ARG 42 ILE 43 ASN 44 ASN 45 ILE 46 LYS 47 ASN 48 PHE 49 ALA 50 GLY 51 PHE 52 GLN 53 VAL 54 ASN 55 ILE 56 VAL 57 TYR 58 ASP 59 PRO 60 LYS 61 VAL 62 LEU 63 MET 64 ALA 65 VAL 66 ASP 67 PRO 68 GLU 69 THR 70 GLY 71 LYS 72 GLU 73 PHE 74 THR 75 SER 76 SER 77 THR 78 PHE 79 PRO 80 PRO 81 GLY 82 ARG 83 THR 84 VAL 85 LEU 86 LYS 87 ASN 88 ASN 89 ALA 90 TYR 91 GLY 92 PRO 93 ILE 94 GLN 95 ILE 96 ALA 97 ASP 98 ASN 99 ASP 100 PRO 101 GLU 102 LYS 103 GLY 104 ILE 105 LEU 106 ASN 107 PHE 108 ALA 109 LEU 110 ALA 111 TYR 112 SER 113 TYR 114 ILE 115 ALA 116 GLY 117 TYR 118 LYS 119 GLU 120 THR 121 GLY 122 VAL 123 ALA 124 GLU 125 GLU 126 SER 127 GLY 128 ILE 129 ILE 130 ALA 131 LYS 132 ILE 133 GLY 134 PHE 135 LYS 136 ILE 137 LEU 138 GLN 139 LYS 140 LYS 141 SER 142 THR 143 ALA 144 VAL 145 LYS 146 PHE 147 GLN 148 ASP 149 THR 150 LEU 151 SER 152 MET 153 PRO 154 GLY 155 ALA 156 ILE 157 SER 158 GLY 159 THR 160 GLN 161 LEU 162 PHE 163 ASP 164 TRP 165 ASP 166 GLY 167 GLU 168 VAL 169 ILE 170 THR 171 GLY 172 TYR 173 GLU 174 VAL 175 ILE 176 GLN 177 PRO 178 ASP 179 VAL 180 LEU 181 SER 182 LEU 183 GLY 184 ASP 185 GLU 186 PRO 187 PHE 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 2B59 "The Type Ii Cohesin Dockerin Complex" 100.00 187 100.00 100.00 1.41e-133 PDB 2BM3 "Structure Of The Type Ii Cohesin From Clostridium Thermocellum Sdba" 88.77 166 98.19 99.40 2.32e-113 PDB 3KCP "Crystal Structure Of Interacting Clostridium Thermocellum Multimodular Components" 100.00 187 99.47 100.00 3.45e-133 PDB 4FL4 "Scaffoldin Conformation And Dynamics Revealed By A Ternary Complex From The Clostridium Thermocellum Cellulosome" 100.00 187 100.00 100.00 1.41e-133 EMBL CDG35978 "cellulosome anchoring protein cohesin subunit [Ruminiclostridium thermocellum BC1]" 93.05 631 99.43 100.00 1.07e-116 GB AAB07763 "scaffolding dockerin binding protein A [Ruminiclostridium thermocellum]" 93.05 631 99.43 100.00 1.07e-116 GB ABN52539 "cellulosome anchoring protein cohesin region [Ruminiclostridium thermocellum ATCC 27405]" 93.05 631 99.43 100.00 1.07e-116 GB ADU74018 "cellulosome anchoring protein cohesin region [Ruminiclostridium thermocellum DSM 1313]" 93.05 631 98.28 98.85 4.98e-115 GB EEU01806 "cellulosome anchoring protein cohesin region [Ruminiclostridium thermocellum DSM 2360]" 93.05 631 98.28 98.85 4.98e-115 GB EFB39640 "cellulosome anchoring protein cohesin region [Ruminiclostridium thermocellum JW20]" 93.05 631 99.43 100.00 1.07e-116 REF WP_003516982 "cellulosome anchoring protein cohesin region [Ruminiclostridium thermocellum]" 93.05 631 98.28 98.85 4.98e-115 REF WP_004463692 "cellulosome anchoring protein cohesin region [Ruminiclostridium thermocellum]" 93.05 631 99.43 100.00 1.07e-116 REF YP_001037732 "cellulosome anchoring protein cohesin subunit [Ruminiclostridium thermocellum ATCC 27405]" 93.05 631 99.43 100.00 1.07e-116 REF YP_005687469 "cellulosome anchoring protein cohesin subunit [Ruminiclostridium thermocellum DSM 1313]" 93.05 631 98.28 98.85 4.98e-115 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $SdbA 'Clostridium thermocellum' 1515 Eubacteria . Clostridium thermocellum 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 $SdbA '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 _Isotopic_labeling $SdbA 1.2 mM '[U-95% 13C; U-90% 15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SdbA 1.2 mM '[U-90% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Task 'peak assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H15N HSQC' _Sample_label . save_ save_1H_13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H 13C HSQC' _Sample_label . save_ save_3D_HNHA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label . save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label . save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label . save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label . save_ save_15N_NOESY_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '15N NOESY HSQC' _Sample_label . save_ save_CC(CO)NH_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name 'CC(CO)NH TOCSY' _Sample_label . save_ save_HCC(CO)NH_TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name 'HCC(CO)NH TOCSY' _Sample_label . save_ save_(H)CCH_COSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '(H)CCH COSY' _Sample_label . save_ save_HCCH_TOCSY_11 _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 '2D 1H15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H 13C HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '15N NOESY HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name 'CC(CO)NH TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name 'HCC(CO)NH TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name '(H)CCH COSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name 'HCCH TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Excond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.9 0.2 na temperature 303 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 H 1 'methyl protons' ppm 0.0 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H15N HSQC' '1H 13C HSQC' '3D HNHA' '3D HNCO' '3D HNCACB' '3D CBCA(CO)NH' '15N NOESY HSQC' 'CC(CO)NH TOCSY' 'HCC(CO)NH TOCSY' '(H)CCH COSY' 'HCCH TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Excond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'SdbA cohesin module' _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 . 17 LYS HA H 4.38 0.03 1 2 . 17 LYS HB2 H 1.84 0.03 1 3 . 17 LYS HB3 H 1.74 0.03 1 4 . 17 LYS HG2 H 1.44 0.03 1 5 . 17 LYS HD2 H 1.64 0.03 1 6 . 17 LYS HE2 H 2.99 0.03 1 7 . 17 LYS C C 175.41 0.20 1 8 . 17 LYS CA C 53.44 0.20 1 9 . 17 LYS CB C 33.24 0.20 1 10 . 17 LYS CG C 25.19 0.20 1 11 . 17 LYS CD C 29.53 0.20 1 12 . 17 LYS CE C 41.01 0.20 1 13 . 18 ALA H H 8.28 0.03 1 14 . 18 ALA HA H 4.30 0.03 1 15 . 18 ALA HB H 1.41 0.03 1 16 . 18 ALA C C 174.16 0.20 1 17 . 18 ALA CA C 53.06 0.20 1 18 . 18 ALA CB C 19.80 0.20 1 19 . 18 ALA N N 123.45 0.20 1 20 . 19 SER H H 8.37 0.03 1 21 . 19 SER HA H 5.16 0.03 1 22 . 19 SER HB2 H 3.98 0.03 2 23 . 19 SER HB3 H 3.86 0.03 2 24 . 19 SER C C 174.22 0.20 1 25 . 19 SER CA C 58.55 0.20 1 26 . 19 SER CB C 65.13 0.20 1 27 . 19 SER N N 117.37 0.15 1 28 . 20 SER H H 9.03 0.03 1 29 . 20 SER HA H 5.70 0.03 1 30 . 20 SER HB2 H 4.04 0.03 2 31 . 20 SER HB3 H 3.78 0.03 2 32 . 20 SER C C 171.37 0.20 1 33 . 20 SER CA C 58.13 0.20 1 34 . 20 SER CB C 67.16 0.20 1 35 . 20 SER N N 116.67 0.15 1 36 . 21 ILE H H 8.71 0.03 1 37 . 21 ILE HA H 5.12 0.03 1 38 . 21 ILE HB H 1.19 0.03 1 39 . 21 ILE HG12 H 1.50 0.03 1 40 . 21 ILE HG2 H 0.75 0.03 1 41 . 21 ILE HD1 H 0.37 0.03 1 42 . 21 ILE C C 171.20 0.20 1 43 . 21 ILE CA C 59.82 0.20 1 44 . 21 ILE CB C 42.43 0.20 1 45 . 21 ILE CG1 C 28.43 0.20 1 46 . 21 ILE CG2 C 17.29 0.20 1 47 . 21 ILE CD1 C 14.68 0.20 1 48 . 21 ILE N N 117.14 0.15 1 49 . 22 GLU H H 8.87 0.03 1 50 . 22 GLU HA H 5.69 0.03 1 51 . 22 GLU HB2 H 2.27 0.03 2 52 . 22 GLU HB3 H 2.01 0.03 2 53 . 22 GLU HG2 H 1.87 0.03 1 54 . 22 GLU CA C 54.41 0.20 1 55 . 22 GLU CB C 32.80 0.20 1 56 . 22 GLU CG C 36.10 0.20 1 57 . 22 GLU CD C 173.41 0.20 1 58 . 22 GLU N N 123.45 0.15 1 59 . 23 LEU H H 7.56 0.03 1 60 . 23 LEU HA H 5.26 0.03 1 61 . 23 LEU HB2 H 1.44 0.03 2 62 . 23 LEU HB3 H 1.19 0.03 2 63 . 23 LEU HG H 0.99 0.03 1 64 . 23 LEU HD1 H 0.24 0.03 1 65 . 23 LEU HD2 H 0.24 0.03 1 66 . 23 LEU C C 173.44 0.20 1 67 . 23 LEU CA C 54.40 0.20 1 68 . 23 LEU CB C 45.38 0.20 1 69 . 23 LEU CG C 28.27 0.20 1 70 . 23 LEU CD1 C 25.56 0.20 2 71 . 23 LEU CD2 C 23.21 0.20 2 72 . 23 LEU N N 124.15 0.15 1 73 . 24 LYS H H 8.26 0.03 1 74 . 24 LYS HA H 4.76 0.03 1 75 . 24 LYS HB2 H 1.80 0.03 2 76 . 24 LYS HB3 H 1.69 0.03 2 77 . 24 LYS HG2 H 1.41 0.03 2 78 . 24 LYS HD2 H 1.67 0.03 2 79 . 24 LYS HE2 H 2.96 0.03 1 80 . 24 LYS C C 174.50 0.20 1 81 . 24 LYS CA C 54.58 0.20 1 82 . 24 LYS CB C 37.53 0.20 1 83 . 24 LYS CG C 25.27 0.20 1 84 . 24 LYS CD C 29.37 0.20 1 85 . 24 LYS CE C 42.24 0.20 1 86 . 24 LYS N N 123.91 0.15 1 87 . 25 PHE H H 9.04 0.03 1 88 . 25 PHE HA H 5.42 0.03 1 89 . 25 PHE HB2 H 3.29 0.03 2 90 . 25 PHE HB3 H 2.84 0.03 2 91 . 25 PHE HD1 H 7.25 0.03 3 92 . 25 PHE C C 176.32 0.20 1 93 . 25 PHE CA C 58.13 0.20 1 94 . 25 PHE CB C 41.75 0.20 1 95 . 25 PHE N N 122.04 0.15 1 96 . 26 ASP H H 9.35 0.03 1 97 . 26 ASP HA H 4.34 0.03 1 98 . 26 ASP HB2 H 2.87 0.03 2 99 . 26 ASP C C 175.62 0.20 1 100 . 26 ASP CA C 56.69 0.20 1 101 . 26 ASP CB C 40.40 0.20 1 102 . 26 ASP N N 122.04 0.15 1 103 . 27 ARG H H 8.12 0.03 1 104 . 27 ARG HA H 4.59 0.03 1 105 . 27 ARG HB2 H 2.07 0.03 2 106 . 27 ARG HG2 H 1.80 0.03 2 107 . 27 ARG HD3 H 3.27 0.03 1 108 . 27 ARG C C 173.15 0.20 1 109 . 27 ARG CA C 55.26 0.20 1 110 . 27 ARG CB C 33.82 0.20 1 111 . 27 ARG CG C 26.53 0.20 1 112 . 27 ARG CD C 44.37 0.20 1 113 . 27 ARG N N 117.84 0.15 1 114 . 28 ASN H H 8.17 0.03 1 115 . 28 ASN HA H 4.64 0.03 1 116 . 28 ASN HB2 H 2.92 0.03 2 117 . 28 ASN HB3 H 2.81 0.03 2 118 . 28 ASN C C 172.70 0.20 1 119 . 28 ASN CA C 52.56 0.20 1 120 . 28 ASN CB C 39.98 0.20 1 121 . 28 ASN N N 113.40 0.15 1 122 . 29 LYS H H 7.09 0.03 1 123 . 29 LYS HA H 4.39 0.03 1 124 . 29 LYS HB2 H 1.83 0.03 2 125 . 29 LYS HB3 H 1.66 0.03 2 126 . 29 LYS HG2 H 1.36 0.03 2 127 . 29 LYS HD2 H 1.66 0.03 2 128 . 29 LYS HE2 H 2.94 0.03 1 129 . 29 LYS C C 173.82 0.20 1 130 . 29 LYS CA C 55.17 0.20 1 131 . 29 LYS CB C 36.94 0.20 1 132 . 29 LYS CG C 24.16 0.20 1 133 . 29 LYS CD C 29.22 0.20 1 134 . 29 LYS CE C 42.09 0.20 1 135 . 29 LYS N N 112.24 0.15 1 136 . 30 GLY H H 7.16 0.03 1 137 . 30 GLY HA2 H 4.14 0.03 2 138 . 30 GLY HA3 H 3.77 0.03 2 139 . 30 GLY C C 174.16 0.20 1 140 . 30 GLY CA C 45.97 0.20 1 141 . 30 GLY N N 103.83 0.15 1 142 . 31 GLU H H 8.61 0.03 1 143 . 31 GLU HA H 4.52 0.03 1 144 . 31 GLU HB2 H 2.23 0.03 2 145 . 31 GLU HB3 H 1.67 0.03 2 146 . 31 GLU HG2 H 2.47 0.03 2 147 . 31 GLU C C 175.95 0.20 1 148 . 31 GLU CA C 53.74 0.20 1 149 . 31 GLU CB C 31.79 0.20 1 150 . 31 GLU CG C 35.85 0.20 1 151 . 31 GLU N N 117.37 0.15 1 152 . 32 VAL H H 8.61 0.03 1 153 . 32 VAL HA H 3.30 0.03 1 154 . 32 VAL HB H 1.95 0.03 1 155 . 32 VAL HG1 H 0.92 0.03 1 156 . 32 VAL HG2 H 0.92 0.03 1 157 . 32 VAL C C 177.73 0.20 1 158 . 32 VAL CA C 66.40 0.20 1 159 . 32 VAL CB C 31.45 0.20 1 160 . 32 VAL CG1 C 23.13 0.20 1 161 . 32 VAL CG2 C 21.16 0.20 1 162 . 32 VAL N N 118.77 0.15 1 163 . 33 GLY H H 9.28 0.03 1 164 . 33 GLY HA2 H 4.55 0.03 2 165 . 33 GLY HA3 H 3.35 0.03 2 166 . 33 GLY C C 175.71 0.20 1 167 . 33 GLY CA C 45.30 0.20 1 168 . 33 GLY N N 116.44 0.15 1 169 . 34 ASP H H 8.36 0.03 1 170 . 34 ASP HA H 4.56 0.03 1 171 . 34 ASP HB2 H 3.12 0.03 2 172 . 34 ASP HB3 H 2.50 0.03 2 173 . 34 ASP C C 177.66 0.20 1 174 . 34 ASP CA C 55.09 0.20 1 175 . 34 ASP CB C 41.67 0.20 1 176 . 34 ASP N N 120.88 0.15 1 177 . 35 ILE H H 8.40 0.03 1 178 . 35 ILE HA H 4.52 0.03 1 179 . 35 ILE HB H 1.70 0.03 1 180 . 35 ILE HG12 H 1.66 0.03 1 181 . 35 ILE HG2 H 0.61 0.03 1 182 . 35 ILE HD1 H 0.83 0.03 1 183 . 35 ILE C C 175.76 0.20 1 184 . 35 ILE CA C 61.00 0.20 1 185 . 35 ILE CB C 39.89 0.20 1 186 . 35 ILE CG1 C 28.35 0.20 1 187 . 35 ILE CG2 C 18.00 0.20 1 188 . 35 ILE CD1 C 13.50 0.20 1 189 . 35 ILE N N 117.37 0.15 1 190 . 36 LEU H H 8.92 0.03 1 191 . 36 LEU HA H 4.69 0.03 1 192 . 36 LEU HB2 H 1.93 0.03 2 193 . 36 LEU HB3 H 1.68 0.03 2 194 . 36 LEU HG H 1.64 0.03 1 195 . 36 LEU HD1 H 0.64 0.03 2 196 . 36 LEU HD2 H 0.58 0.03 2 197 . 36 LEU C C 176.13 0.20 1 198 . 36 LEU CA C 54.16 0.20 1 199 . 36 LEU CB C 43.61 0.20 1 200 . 36 LEU CG C 25.98 0.20 1 201 . 36 LEU CD1 C 22.82 0.20 1 202 . 36 LEU CD2 C 22.26 0.20 1 203 . 36 LEU N N 128.58 0.15 1 204 . 37 ILE H H 9.58 0.03 1 205 . 37 ILE HA H 4.70 0.03 1 206 . 37 ILE HB H 1.86 0.03 2 207 . 37 ILE HG12 H 1.60 0.03 2 208 . 37 ILE HG13 H 1.07 0.03 2 209 . 37 ILE HG2 H 0.67 0.03 1 210 . 37 ILE HD1 H 0.80 0.03 1 211 . 37 ILE C C 176.19 0.20 1 212 . 37 ILE CA C 60.91 0.20 1 213 . 37 ILE CB C 38.20 0.20 1 214 . 37 ILE CG2 C 17.52 0.20 1 215 . 37 ILE CD1 C 12.22 0.20 1 216 . 37 ILE N N 122.04 0.15 1 217 . 38 GLY H H 9.82 0.03 1 218 . 38 GLY HA2 H 4.20 0.03 2 219 . 38 GLY HA3 H 2.51 0.03 2 220 . 38 GLY C C 171.13 0.20 1 221 . 38 GLY CA C 45.04 0.20 1 222 . 38 GLY N N 118.07 0.15 1 223 . 39 THR H H 8.92 0.03 1 224 . 39 THR HA H 4.72 0.03 1 225 . 39 THR HB H 4.72 0.03 1 226 . 39 THR HG2 H 1.13 0.03 1 227 . 39 THR C C 173.59 0.20 1 228 . 39 THR CA C 63.11 0.20 1 229 . 39 THR CB C 70.20 0.20 1 230 . 39 THR CG2 C 22.90 0.20 1 231 . 39 THR N N 120.88 0.15 1 232 . 40 VAL H H 9.24 0.03 1 233 . 40 VAL HA H 5.33 0.03 1 234 . 40 VAL HB H 2.01 0.03 1 235 . 40 VAL HG1 H 0.97 0.03 2 236 . 40 VAL HG2 H 0.88 0.03 2 237 . 40 VAL C C 174.91 0.20 1 238 . 40 VAL CA C 60.74 0.20 1 239 . 40 VAL CB C 32.38 0.20 1 240 . 40 VAL CG1 C 22.42 0.20 1 241 . 40 VAL CG2 C 22.42 0.20 1 242 . 40 VAL N N 129.65 0.15 1 243 . 41 ARG H H 9.14 0.03 1 244 . 41 ARG HA H 5.18 0.03 1 245 . 41 ARG HB2 H 1.61 0.03 2 246 . 41 ARG HB3 H 1.39 0.03 2 247 . 41 ARG HG2 H 1.40 0.03 2 248 . 41 ARG HD2 H 3.11 0.03 1 249 . 41 ARG C C 174.05 0.20 1 250 . 41 ARG CA C 54.92 0.20 1 251 . 41 ARG CB C 35.25 0.20 1 252 . 41 ARG CG C 28.42 0.20 1 253 . 41 ARG CD C 43.51 0.20 1 254 . 41 ARG N N 126.72 0.15 1 255 . 42 ILE H H 8.61 0.03 1 256 . 42 ILE HA H 4.97 0.03 1 257 . 42 ILE HB H 1.45 0.03 1 258 . 42 ILE HG12 H 1.07 0.03 2 259 . 42 ILE HG13 H 0.38 0.03 2 260 . 42 ILE HG2 H 0.38 0.03 1 261 . 42 ILE HD1 H 0.36 0.03 1 262 . 42 ILE C C 174.71 0.20 1 263 . 42 ILE CA C 59.22 0.20 1 264 . 42 ILE CB C 40.74 0.20 1 265 . 42 ILE CG1 C 25.42 0.20 1 266 . 42 ILE CG2 C 18.40 0.20 1 267 . 42 ILE CD1 C 12.70 0.20 1 268 . 42 ILE N N 112.24 0.15 1 269 . 43 ASN H H 8.96 0.03 1 270 . 43 ASN HA H 4.96 0.03 1 271 . 43 ASN HB2 H 2.79 0.03 2 272 . 43 ASN HB3 H 2.53 0.03 2 273 . 43 ASN C C 172.13 0.20 1 274 . 43 ASN CA C 52.81 0.20 1 275 . 43 ASN CB C 42.68 0.20 1 276 . 43 ASN N N 119.48 0.15 1 277 . 44 ASN H H 8.71 0.03 1 278 . 44 ASN HA H 3.95 0.03 1 279 . 44 ASN HB2 H 2.77 0.03 2 280 . 44 ASN C C 173.08 0.20 1 281 . 44 ASN CA C 53.99 0.20 1 282 . 44 ASN CB C 37.78 0.20 1 283 . 44 ASN N N 119.94 0.15 1 284 . 45 ILE H H 9.29 0.03 1 285 . 45 ILE HA H 4.13 0.03 1 286 . 45 ILE HB H 1.85 0.03 1 287 . 45 ILE HG12 H 1.29 0.03 2 288 . 45 ILE HG13 H 0.61 0.03 2 289 . 45 ILE HG2 H 0.81 0.03 1 290 . 45 ILE HD1 H 0.25 0.03 1 291 . 45 ILE C C 173.82 0.20 1 292 . 45 ILE CA C 57.79 0.20 1 293 . 45 ILE CB C 33.98 0.20 1 294 . 45 ILE CG2 C 19.90 0.20 1 295 . 45 ILE CD1 C 8.61 0.20 1 296 . 45 ILE N N 122.28 0.15 1 297 . 46 LYS H H 7.92 0.03 1 298 . 46 LYS HA H 3.82 0.03 1 299 . 46 LYS HB2 H 1.62 0.03 2 300 . 46 LYS HG2 H 1.32 0.03 2 301 . 46 LYS HG3 H 1.20 0.03 2 302 . 46 LYS HD2 H 1.62 0.03 2 303 . 46 LYS HE2 H 2.96 0.03 1 304 . 46 LYS C C 176.81 0.20 1 305 . 46 LYS CA C 57.28 0.20 1 306 . 46 LYS CB C 31.87 0.20 1 307 . 46 LYS CG C 24.16 0.20 1 308 . 46 LYS CD C 28.84 0.20 1 309 . 46 LYS CE C 42.38 0.20 1 310 . 46 LYS N N 126.02 0.15 1 311 . 47 ASN H H 8.80 0.03 1 312 . 47 ASN HA H 4.88 0.03 1 313 . 47 ASN HB2 H 2.89 0.03 2 314 . 47 ASN C C 173.52 0.20 1 315 . 47 ASN CA C 53.48 0.20 1 316 . 47 ASN CB C 35.42 0.20 1 317 . 47 ASN N N 117.84 0.15 1 318 . 48 PHE H H 6.77 0.03 1 319 . 48 PHE HA H 4.48 0.03 1 320 . 48 PHE HB2 H 3.32 0.03 2 321 . 48 PHE HB3 H 3.12 0.03 2 322 . 48 PHE HD1 H 7.37 0.03 3 323 . 48 PHE C C 173.69 0.20 1 324 . 48 PHE CA C 60.15 0.20 1 325 . 48 PHE CB C 39.72 0.20 1 326 . 48 PHE N N 115.04 0.15 1 327 . 49 ALA H H 9.35 0.03 1 328 . 49 ALA HA H 4.52 0.03 1 329 . 49 ALA HB H 1.45 0.03 1 330 . 49 ALA C C 173.98 0.20 1 331 . 49 ALA CA C 51.71 0.20 1 332 . 49 ALA CB C 22.55 0.20 1 333 . 49 ALA N N 125.78 0.15 1 334 . 50 GLY H H 6.45 0.03 1 335 . 50 GLY HA2 H 4.17 0.03 2 336 . 50 GLY HA3 H 4.09 0.03 2 337 . 50 GLY C C 170.54 0.20 1 338 . 50 GLY CA C 46.82 0.20 1 339 . 50 GLY N N 102.18 0.15 1 340 . 51 PHE H H 9.01 0.03 1 341 . 51 PHE HA H 6.13 0.03 1 342 . 51 PHE HB2 H 3.28 0.03 2 343 . 51 PHE HB3 H 3.05 0.03 2 344 . 51 PHE C C 174.34 0.20 1 345 . 51 PHE CA C 56.86 0.20 1 346 . 51 PHE CB C 45.04 0.20 1 347 . 51 PHE N N 113.64 0.15 1 348 . 52 GLN H H 9.45 0.03 1 349 . 52 GLN HA H 5.06 0.03 1 350 . 52 GLN HB2 H 1.51 0.03 2 351 . 52 GLN HG2 H 2.33 0.03 2 352 . 52 GLN C C 170.14 0.20 1 353 . 52 GLN CA C 57.11 0.20 1 354 . 52 GLN CB C 32.30 0.20 1 355 . 52 GLN CG C 33.32 0.20 1 356 . 52 GLN N N 119.71 0.15 1 357 . 53 VAL H H 8.58 0.03 1 358 . 53 VAL HA H 5.34 0.03 1 359 . 53 VAL HB H 1.94 0.03 1 360 . 53 VAL HG1 H 0.81 0.03 2 361 . 53 VAL HG2 H 0.36 0.03 2 362 . 53 VAL C C 171.18 0.20 1 363 . 53 VAL CA C 59.73 0.20 1 364 . 53 VAL CB C 32.30 0.20 1 365 . 53 VAL CG1 C 23.05 0.20 1 366 . 53 VAL CG2 C 19.97 0.20 1 367 . 53 VAL N N 117.37 0.15 1 368 . 54 ASN H H 8.63 0.03 1 369 . 54 ASN HA H 5.71 0.03 1 370 . 54 ASN HB2 H 3.58 0.03 2 371 . 54 ASN HB3 H 2.40 0.03 2 372 . 54 ASN C C 173.13 0.20 1 373 . 54 ASN CA C 53.99 0.20 1 374 . 54 ASN CB C 43.35 0.20 1 375 . 54 ASN N N 121.81 0.15 1 376 . 55 ILE H H 8.75 0.03 1 377 . 55 ILE HA H 4.92 0.03 1 378 . 55 ILE HB H 1.65 0.03 1 379 . 55 ILE HG2 H 0.68 0.03 1 380 . 55 ILE HD1 H 0.62 0.03 1 381 . 55 ILE C C 173.53 0.20 1 382 . 55 ILE CA C 60.32 0.20 1 383 . 55 ILE CB C 43.02 0.20 1 384 . 55 ILE CG2 C 17.45 0.20 1 385 . 55 ILE CD1 C 14.68 0.20 1 386 . 55 ILE N N 126.48 0.15 1 387 . 56 VAL H H 9.10 0.03 1 388 . 56 VAL HA H 5.77 0.03 1 389 . 56 VAL HB H 1.95 0.03 1 390 . 56 VAL HG1 H 0.96 0.03 2 391 . 56 VAL HG2 H 0.93 0.03 2 392 . 56 VAL C C 174.26 0.20 1 393 . 56 VAL CA C 59.73 0.20 1 394 . 56 VAL CB C 35.59 0.20 1 395 . 56 VAL CG1 C 21.71 0.20 1 396 . 56 VAL CG2 C 21.71 0.20 1 397 . 56 VAL N N 121.34 0.15 1 398 . 57 TYR H H 9.16 0.03 1 399 . 57 TYR HA H 4.90 0.03 1 400 . 57 TYR HB2 H 2.90 0.03 2 401 . 57 TYR HB3 H 2.74 0.03 2 402 . 57 TYR HD1 H 6.81 0.03 3 403 . 57 TYR C C 171.81 0.20 1 404 . 57 TYR CA C 54.92 0.20 1 405 . 57 TYR CB C 42.34 0.20 1 406 . 57 TYR N N 121.11 0.15 1 407 . 58 ASP H H 9.99 0.03 1 408 . 58 ASP HA H 4.99 0.03 1 409 . 58 ASP HB2 H 3.04 0.03 2 410 . 58 ASP HB3 H 2.53 0.03 2 411 . 58 ASP CA C 50.70 0.20 1 412 . 58 ASP CB C 41.62 0.20 1 413 . 58 ASP N N 120.18 0.15 1 414 . 59 PRO HA H 4.42 0.03 1 415 . 59 PRO HB2 H 1.68 0.03 2 416 . 59 PRO HB3 H 1.60 0.03 2 417 . 59 PRO HG2 H 1.48 0.03 2 418 . 59 PRO HG3 H 1.31 0.03 2 419 . 59 PRO C C 177.32 0.20 1 420 . 59 PRO CA C 63.78 0.20 1 421 . 59 PRO CB C 32.58 0.20 1 422 . 60 LYS H H 8.36 0.03 1 423 . 60 LYS HA H 4.32 0.03 1 424 . 60 LYS HB2 H 1.98 0.03 2 425 . 60 LYS HG2 H 1.55 0.03 2 426 . 60 LYS HD2 H 1.71 0.03 2 427 . 60 LYS HE2 H 3.07 0.03 1 428 . 60 LYS C C 177.27 0.20 1 429 . 60 LYS CA C 56.86 0.20 1 430 . 60 LYS CB C 32.13 0.20 1 431 . 60 LYS CG C 25.74 0.20 1 432 . 60 LYS CD C 28.83 0.20 1 433 . 60 LYS N N 115.97 0.15 1 434 . 61 VAL H H 7.92 0.03 1 435 . 61 VAL HA H 4.10 0.03 1 436 . 61 VAL HB H 1.94 0.03 1 437 . 61 VAL HG1 H 1.25 0.03 2 438 . 61 VAL HG2 H 0.79 0.03 2 439 . 61 VAL C C 173.26 0.20 1 440 . 61 VAL CA C 65.13 0.20 1 441 . 61 VAL CB C 35.34 0.20 1 442 . 61 VAL CG1 C 23.13 0.20 1 443 . 61 VAL CG2 C 19.58 0.20 1 444 . 61 VAL N N 119.24 0.15 1 445 . 62 LEU H H 8.42 0.03 1 446 . 62 LEU HA H 5.44 0.03 1 447 . 62 LEU HB2 H 1.70 0.03 2 448 . 62 LEU HB3 H 1.22 0.03 2 449 . 62 LEU HG H 1.56 0.03 1 450 . 62 LEU HD1 H 0.79 0.03 2 451 . 62 LEU HD2 H 0.41 0.03 2 452 . 62 LEU C C 173.61 0.20 1 453 . 62 LEU CA C 53.15 0.20 1 454 . 62 LEU CB C 47.74 0.20 1 455 . 62 LEU CG C 26.92 0.20 1 456 . 62 LEU CD1 C 26.53 0.20 1 457 . 62 LEU CD2 C 23.69 0.20 1 458 . 62 LEU N N 117.61 0.15 1 459 . 63 MET H H 8.52 0.03 1 460 . 63 MET HA H 5.04 0.03 1 461 . 63 MET HB2 H 2.21 0.03 2 462 . 63 MET HB3 H 1.90 0.03 2 463 . 63 MET HG2 H 2.62 0.03 2 464 . 63 MET HG3 H 2.26 0.03 2 465 . 63 MET C C 175.37 0.20 1 466 . 63 MET CA C 53.40 0.20 1 467 . 63 MET CB C 38.54 0.20 1 468 . 63 MET CG C 31.43 0.20 1 469 . 63 MET N N 116.21 0.15 1 470 . 64 ALA H H 7.82 0.03 1 471 . 64 ALA HA H 4.27 0.03 1 472 . 64 ALA HB H 0.51 0.03 1 473 . 64 ALA C C 176.83 0.20 1 474 . 64 ALA CA C 52.05 0.20 1 475 . 64 ALA CB C 17.27 0.20 1 476 . 64 ALA N N 128.82 0.15 1 477 . 65 VAL H H 8.83 0.03 1 478 . 65 VAL HA H 4.92 0.03 1 479 . 65 VAL HB H 1.61 0.03 1 480 . 65 VAL HG1 H 0.69 0.03 2 481 . 65 VAL HG2 H 0.44 0.03 2 482 . 65 VAL C C 173.64 0.20 1 483 . 65 VAL CA C 58.63 0.20 1 484 . 65 VAL CB C 37.02 0.20 1 485 . 65 VAL CG1 C 22.13 0.20 1 486 . 65 VAL CG2 C 19.50 0.20 1 487 . 65 VAL N N 117.84 0.15 1 488 . 66 ASP H H 8.91 0.03 1 489 . 66 ASP HA H 4.91 0.03 1 490 . 66 ASP HB2 H 3.09 0.03 2 491 . 66 ASP HB3 H 2.52 0.03 2 492 . 66 ASP CA C 52.56 0.20 1 493 . 66 ASP CB C 43.10 0.20 1 494 . 66 ASP N N 123.21 0.15 1 495 . 67 PRO HA H 4.06 0.03 1 496 . 67 PRO C C 175.66 0.20 1 497 . 67 PRO CA C 64.71 0.20 1 498 . 67 PRO CB C 32.38 0.20 1 499 . 67 PRO CG C 27.63 0.20 1 500 . 68 GLU H H 8.88 0.03 1 501 . 68 GLU HA H 4.41 0.03 1 502 . 68 GLU HB2 H 2.24 0.03 2 503 . 68 GLU HB3 H 2.18 0.03 2 504 . 68 GLU HG2 H 2.23 0.03 2 505 . 68 GLU HG3 H 2.14 0.03 2 506 . 68 GLU C C 178.01 0.20 1 507 . 68 GLU CA C 58.13 0.20 1 508 . 68 GLU CB C 31.03 0.20 1 509 . 68 GLU CG C 36.95 0.20 1 510 . 68 GLU N N 117.14 0.15 1 511 . 69 THR H H 8.17 0.03 1 512 . 69 THR HA H 4.42 0.03 1 513 . 69 THR HB H 4.38 0.03 1 514 . 69 THR HG2 H 1.23 0.03 1 515 . 69 THR C C 176.41 0.20 1 516 . 69 THR CA C 62.10 0.20 1 517 . 69 THR CB C 71.55 0.20 1 518 . 69 THR CG2 C 21.16 0.20 1 519 . 69 THR N N 106.41 0.15 1 520 . 70 GLY H H 8.43 0.03 1 521 . 70 GLY HA2 H 4.17 0.03 2 522 . 70 GLY HA3 H 3.50 0.03 2 523 . 70 GLY C C 172.94 0.20 1 524 . 70 GLY CA C 45.97 0.20 1 525 . 70 GLY N N 110.13 0.15 1 526 . 71 LYS H H 7.60 0.03 1 527 . 71 LYS HA H 4.19 0.03 1 528 . 71 LYS HB2 H 1.80 0.03 2 529 . 71 LYS HB3 H 1.71 0.03 2 530 . 71 LYS HG2 H 1.48 0.03 2 531 . 71 LYS HD2 H 1.71 0.03 2 532 . 71 LYS HE2 H 3.07 0.03 1 533 . 71 LYS C C 176.72 0.20 1 534 . 71 LYS CA C 57.03 0.20 1 535 . 71 LYS CB C 33.31 0.20 1 536 . 71 LYS CG C 25.19 0.20 1 537 . 71 LYS CD C 29.06 0.20 1 538 . 71 LYS N N 119.01 0.15 1 539 . 72 GLU H H 9.36 0.03 1 540 . 72 GLU HA H 4.41 0.03 1 541 . 72 GLU HB2 H 2.12 0.03 2 542 . 72 GLU HB3 H 2.08 0.03 2 543 . 72 GLU HG2 H 2.63 0.03 2 544 . 72 GLU HG3 H 2.42 0.03 2 545 . 72 GLU C C 176.67 0.20 1 546 . 72 GLU CA C 58.21 0.20 1 547 . 72 GLU CB C 30.02 0.20 1 548 . 72 GLU CG C 36.80 0.20 1 549 . 72 GLU N N 124.62 0.15 1 550 . 73 PHE H H 8.43 0.03 1 551 . 73 PHE HA H 4.44 0.03 1 552 . 73 PHE HB2 H 3.11 0.03 2 553 . 73 PHE HB3 H 2.90 0.03 2 554 . 73 PHE HD1 H 7.08 0.03 3 555 . 73 PHE C C 176.28 0.20 1 556 . 73 PHE CA C 58.38 0.20 1 557 . 73 PHE CB C 39.98 0.20 1 558 . 73 PHE N N 122.78 0.15 1 559 . 74 THR H H 9.04 0.03 1 560 . 74 THR HA H 4.78 0.03 1 561 . 74 THR HB H 4.46 0.03 1 562 . 74 THR HG2 H 1.29 0.03 1 563 . 74 THR C C 176.18 0.20 1 564 . 74 THR CA C 60.15 0.20 1 565 . 74 THR CB C 71.72 0.20 1 566 . 74 THR CG2 C 21.71 0.20 1 567 . 74 THR N N 111.30 0.15 1 568 . 75 SER H H 9.15 0.03 1 569 . 75 SER HA H 4.71 0.03 1 570 . 75 SER HB2 H 4.51 0.03 2 571 . 75 SER HB3 H 4.33 0.03 2 572 . 75 SER C C 173.95 0.20 1 573 . 75 SER CA C 61.93 0.20 1 574 . 75 SER CB C 63.62 0.20 1 575 . 75 SER N N 115.04 0.15 1 576 . 76 SER H H 7.81 0.03 1 577 . 76 SER HA H 4.84 0.03 1 578 . 76 SER HB2 H 4.19 0.03 2 579 . 76 SER C C 174.91 0.20 1 580 . 76 SER CA C 57.71 0.20 1 581 . 76 SER CB C 64.88 0.20 1 582 . 76 SER N N 109.20 0.15 1 583 . 77 THR H H 7.23 0.03 1 584 . 77 THR HA H 3.74 0.03 1 585 . 77 THR HB H 3.33 0.03 1 586 . 77 THR HG2 H 0.23 0.03 1 587 . 77 THR C C 170.76 0.20 1 588 . 77 THR CA C 65.22 0.20 1 589 . 77 THR CB C 70.20 0.20 1 590 . 77 THR CG2 C 20.84 0.20 1 591 . 77 THR N N 119.24 0.15 1 592 . 78 PHE H H 8.70 0.03 1 593 . 78 PHE HA H 4.62 0.03 1 594 . 78 PHE HB2 H 3.11 0.03 2 595 . 78 PHE HB3 H 2.88 0.03 2 596 . 78 PHE CA C 55.34 0.20 1 597 . 78 PHE CB C 41.92 0.20 1 598 . 78 PHE N N 129.75 0.15 1 599 . 80 PRO C C 173.88 0.20 1 600 . 80 PRO CA C 62.85 0.20 1 601 . 80 PRO CB C 33.65 0.20 1 602 . 81 GLY H H 8.23 0.03 1 603 . 81 GLY HA2 H 3.94 0.03 2 604 . 81 GLY HA3 H 3.70 0.03 2 605 . 81 GLY C C 174.59 0.20 1 606 . 81 GLY CA C 46.48 0.20 1 607 . 81 GLY N N 99.86 0.15 1 608 . 82 ARG H H 7.57 0.03 1 609 . 82 ARG C C 175.95 0.20 1 610 . 82 ARG CA C 56.19 0.20 1 611 . 82 ARG CB C 30.19 0.20 1 612 . 82 ARG N N 114.57 0.15 1 613 . 83 THR H H 9.25 0.03 1 614 . 83 THR HA H 4.61 0.03 1 615 . 83 THR HB H 4.12 0.03 1 616 . 83 THR HG2 H 1.30 0.03 1 617 . 83 THR C C 173.66 0.20 1 618 . 83 THR CA C 61.16 0.20 1 619 . 83 THR CB C 70.28 0.20 1 620 . 83 THR CG2 C 22.50 0.20 1 621 . 83 THR N N 107.33 0.15 1 622 . 84 VAL H H 7.05 0.03 1 623 . 84 VAL HA H 4.87 0.03 1 624 . 84 VAL HB H 2.01 0.03 1 625 . 84 VAL HG1 H 0.87 0.03 2 626 . 84 VAL HG2 H 0.78 0.03 2 627 . 84 VAL C C 173.44 0.20 1 628 . 84 VAL CA C 58.97 0.20 1 629 . 84 VAL CB C 35.98 0.20 1 630 . 84 VAL CG1 C 22.96 0.20 1 631 . 84 VAL CG2 C 19.18 0.20 1 632 . 84 VAL N N 111.77 0.15 1 633 . 85 LEU H H 9.70 0.03 1 634 . 85 LEU HA H 3.86 0.03 1 635 . 85 LEU HB2 H 1.87 0.03 2 636 . 85 LEU HB3 H 0.84 0.03 2 637 . 85 LEU HG H 1.12 0.03 1 638 . 85 LEU HD1 H 0.53 0.03 2 639 . 85 LEU HD2 H 0.05 0.03 2 640 . 85 LEU C C 177.21 0.20 1 641 . 85 LEU CA C 55.34 0.20 1 642 . 85 LEU CB C 38.21 0.20 1 643 . 85 LEU CG C 26.77 0.20 1 644 . 85 LEU CD1 C 26.38 0.20 1 645 . 85 LEU CD2 C 22.10 0.20 1 646 . 85 LEU N N 115.5 0.15 1 647 . 86 LYS H H 8.96 0.03 1 648 . 86 LYS HA H 4.48 0.03 1 649 . 86 LYS HB2 H 1.88 0.03 2 650 . 86 LYS HB3 H 1.65 0.03 2 651 . 86 LYS HG2 H 1.28 0.03 2 652 . 86 LYS HG3 H 1.16 0.03 2 653 . 86 LYS HD2 H 1.35 0.03 2 654 . 86 LYS HE2 H 2.97 0.03 1 655 . 86 LYS C C 176.02 0.20 1 656 . 86 LYS CA C 55.76 0.20 1 657 . 86 LYS CB C 33.56 0.20 1 658 . 86 LYS CG C 24.71 0.20 1 659 . 86 LYS CD C 29.21 0.20 1 660 . 86 LYS CE C 41.85 0.20 1 661 . 86 LYS N N 115.04 0.15 1 662 . 87 ASN H H 8.50 0.03 1 663 . 87 ASN HA H 4.60 0.03 1 664 . 87 ASN HB2 H 3.25 0.03 2 665 . 87 ASN HB3 H 2.86 0.03 2 666 . 87 ASN C C 175.97 0.20 1 667 . 87 ASN CA C 53.91 0.20 1 668 . 87 ASN CB C 38.54 0.20 1 669 . 87 ASN N N 120.41 0.15 1 670 . 88 ASN H H 8.78 0.03 1 671 . 88 ASN HA H 4.26 0.03 1 672 . 88 ASN HB2 H 2.83 0.03 2 673 . 88 ASN HB3 H 2.82 0.03 2 674 . 88 ASN C C 176.92 0.20 1 675 . 88 ASN CA C 56.35 0.20 1 676 . 88 ASN CB C 38.71 0.20 1 677 . 88 ASN N N 124.15 0.15 1 678 . 89 ALA H H 8.24 0.03 1 679 . 89 ALA HA H 3.97 0.03 1 680 . 89 ALA HB H 0.78 0.03 1 681 . 89 ALA C C 178.44 0.20 1 682 . 89 ALA CA C 54.50 0.20 1 683 . 89 ALA CB C 17.86 0.20 1 684 . 89 ALA N N 120.41 0.15 1 685 . 90 TYR H H 6.79 0.03 1 686 . 90 TYR HA H 5.20 0.03 1 687 . 90 TYR HB2 H 2.73 0.03 2 688 . 90 TYR C C 176.26 0.20 1 689 . 90 TYR CA C 55.00 0.20 1 690 . 90 TYR CB C 35.67 0.20 1 691 . 90 TYR N N 112.00 0.15 1 692 . 91 GLY H H 7.60 0.03 1 693 . 91 GLY HA2 H 4.21 0.03 2 694 . 91 GLY HA3 H 3.72 0.03 2 695 . 91 GLY CA C 49.26 0.20 1 696 . 91 GLY N N 106.40 0.15 1 697 . 92 PRO C C 176.35 0.20 1 698 . 92 PRO CA C 64.04 0.20 1 699 . 92 PRO CB C 31.96 0.20 1 700 . 93 ILE H H 8.68 0.03 1 701 . 93 ILE HA H 4.37 0.03 1 702 . 93 ILE HB H 1.83 0.03 1 703 . 93 ILE HG12 H 1.59 0.03 2 704 . 93 ILE HG13 H 1.25 0.03 2 705 . 93 ILE HG2 H 0.83 0.03 1 706 . 93 ILE HD1 H 0.83 0.03 1 707 . 93 ILE C C 174.27 0.20 1 708 . 93 ILE CA C 60.41 0.20 1 709 . 93 ILE CB C 40.15 0.20 1 710 . 93 ILE CG1 C 26.45 0.20 1 711 . 93 ILE CG2 C 17.37 0.20 1 712 . 93 ILE CD1 C 12.71 0.20 1 713 . 93 ILE N N 125.08 0.15 1 714 . 94 GLN H H 8.37 0.03 1 715 . 94 GLN HA H 4.86 0.03 1 716 . 94 GLN HB2 H 1.30 0.03 1 717 . 94 GLN HB3 H 1.30 0.03 1 718 . 94 GLN HG2 H 1.83 0.03 2 719 . 94 GLN HG3 H 1.56 0.03 2 720 . 94 GLN C C 174.39 0.20 1 721 . 94 GLN CA C 53.91 0.20 1 722 . 94 GLN CB C 31.62 0.20 1 723 . 94 GLN CG C 33.56 0.20 1 724 . 94 GLN N N 124.85 0.15 1 725 . 95 ILE H H 9.21 0.03 1 726 . 95 ILE HA H 4.50 0.03 1 727 . 95 ILE HB H 1.84 0.03 1 728 . 95 ILE HG12 H 1.45 0.03 2 729 . 95 ILE HG13 H 1.10 0.03 2 730 . 95 ILE HG2 H 0.93 0.03 1 731 . 95 ILE HD1 H 0.86 0.03 1 732 . 95 ILE C C 173.25 0.20 1 733 . 95 ILE CA C 61.42 0.20 1 734 . 95 ILE CB C 42.26 0.20 1 735 . 95 ILE CG1 C 28.11 0.20 1 736 . 95 ILE CG2 C 17.76 0.20 1 737 . 95 ILE CD1 C 13.74 0.20 1 738 . 95 ILE N N 122.28 0.15 1 739 . 96 ALA H H 8.52 0.03 1 740 . 96 ALA HA H 5.32 0.03 1 741 . 96 ALA HB H 1.49 0.03 1 742 . 96 ALA C C 174.76 0.20 1 743 . 96 ALA CA C 52.13 0.20 1 744 . 96 ALA CB C 23.35 0.20 1 745 . 96 ALA N N 127.65 0.15 1 746 . 97 ASP H H 9.24 0.03 1 747 . 97 ASP HA H 5.02 0.03 1 748 . 97 ASP HB2 H 2.77 0.03 2 749 . 97 ASP HB3 H 2.40 0.03 2 750 . 97 ASP C C 174.08 0.20 1 751 . 97 ASP CA C 53.57 0.20 1 752 . 97 ASP CB C 41.75 0.20 1 753 . 97 ASP N N 123.68 0.15 1 754 . 98 ASN H H 9.32 0.03 1 755 . 98 ASN HA H 4.98 0.03 1 756 . 98 ASN HB2 H 3.33 0.03 2 757 . 98 ASN HB3 H 2.88 0.03 2 758 . 98 ASN C C 175.28 0.20 1 759 . 98 ASN CA C 53.40 0.20 1 760 . 98 ASN CB C 41.08 0.20 1 761 . 98 ASN N N 116.91 0.15 1 762 . 99 ASP H H 9.53 0.03 1 763 . 99 ASP HA H 5.17 0.03 1 764 . 99 ASP HB2 H 3.10 0.03 2 765 . 99 ASP HB3 H 2.52 0.03 2 766 . 99 ASP CA C 51.80 0.20 1 767 . 99 ASP CB C 41.75 0.20 1 768 . 99 ASP N N 116.44 0.15 1 769 . 100 PRO HA H 4.64 0.03 1 770 . 100 PRO HB2 H 2.61 0.03 2 771 . 100 PRO HB3 H 2.23 0.03 2 772 . 100 PRO C C 178.55 0.20 1 773 . 100 PRO CA C 65.13 0.20 1 774 . 100 PRO CB C 32.75 0.20 1 775 . 100 PRO CG C 28.03 0.20 1 776 . 101 GLU H H 8.26 0.03 1 777 . 101 GLU HA H 4.18 0.03 1 778 . 101 GLU HB2 H 2.20 0.03 2 779 . 101 GLU HG2 H 2.38 0.03 2 780 . 101 GLU HG3 H 2.31 0.03 2 781 . 101 GLU C C 177.58 0.20 1 782 . 101 GLU CA C 59.39 0.20 1 783 . 101 GLU CB C 29.93 0.20 1 784 . 101 GLU CG C 37.35 0.20 1 785 . 101 GLU N N 115.74 0.15 1 786 . 102 LYS H H 7.32 0.03 1 787 . 102 LYS HA H 4.38 0.03 1 788 . 102 LYS HB2 H 2.02 0.03 2 789 . 102 LYS HB3 H 1.53 0.03 2 790 . 102 LYS HG2 H 1.53 0.03 2 791 . 102 LYS HG3 H 1.34 0.03 2 792 . 102 LYS HD2 H 1.72 0.03 2 793 . 102 LYS HE2 H 3.04 0.03 1 794 . 102 LYS C C 176.17 0.20 1 795 . 102 LYS CA C 56.10 0.20 1 796 . 102 LYS CB C 34.49 0.20 1 797 . 102 LYS CG C 26.06 0.20 1 798 . 102 LYS CD C 29.37 0.20 1 799 . 102 LYS CE C 42.38 0.20 1 800 . 102 LYS N N 114.57 0.15 1 801 . 103 GLY H H 7.84 0.03 1 802 . 103 GLY HA2 H 3.95 0.03 2 803 . 103 GLY HA3 H 2.38 0.03 2 804 . 103 GLY C C 171.57 0.20 1 805 . 103 GLY CA C 45.72 0.20 1 806 . 103 GLY N N 108.50 0.15 1 807 . 104 ILE H H 7.47 0.03 1 808 . 104 ILE HA H 4.83 0.03 1 809 . 104 ILE HB H 1.98 0.03 1 810 . 104 ILE HG12 H 1.47 0.03 1 811 . 104 ILE HG2 H 1.02 0.03 1 812 . 104 ILE HD1 H 1.02 0.03 1 813 . 104 ILE C C 176.30 0.20 1 814 . 104 ILE CA C 60.66 0.20 1 815 . 104 ILE CB C 29.68 0.20 1 816 . 104 ILE CG1 C 27.56 0.20 1 817 . 104 ILE CG2 C 18.32 0.20 1 818 . 104 ILE CD1 C 14.29 0.20 1 819 . 104 ILE N N 116.91 0.15 1 820 . 105 LEU H H 9.81 0.03 1 821 . 105 LEU HA H 5.24 0.03 1 822 . 105 LEU HB2 H 2.08 0.03 2 823 . 105 LEU HB3 H 1.49 0.03 2 824 . 105 LEU HG H 1.87 0.03 2 825 . 105 LEU HD1 H 0.66 0.03 2 826 . 105 LEU HD2 H 0.79 0.03 2 827 . 105 LEU C C 174.31 0.20 1 828 . 105 LEU CA C 53.48 0.20 1 829 . 105 LEU CB C 44.03 0.20 1 830 . 105 LEU CG C 27.06 0.20 1 831 . 105 LEU CD1 C 27.06 0.20 1 832 . 105 LEU CD2 C 24.71 0.20 1 833 . 105 LEU N N 127.89 0.15 1 834 . 106 ASN H H 8.91 0.03 1 835 . 106 ASN HA H 5.94 0.03 1 836 . 106 ASN HB2 H 2.87 0.03 2 837 . 106 ASN HB3 H 2.72 0.03 2 838 . 106 ASN C C 172.22 0.20 1 839 . 106 ASN CA C 53.57 0.20 1 840 . 106 ASN CB C 41.50 0.20 1 841 . 106 ASN N N 121.81 0.15 1 842 . 107 PHE H H 8.02 0.03 1 843 . 107 PHE HA H 5.66 0.03 1 844 . 107 PHE HB2 H 3.48 0.03 2 845 . 107 PHE HB3 H 3.35 0.03 2 846 . 107 PHE HD1 H 7.18 0.03 3 847 . 107 PHE C C 172.47 0.20 1 848 . 107 PHE CA C 55.85 0.20 1 849 . 107 PHE CB C 40.06 0.20 1 850 . 107 PHE N N 119.00 0.20 1 851 . 108 ALA H H 9.52 0.03 1 852 . 108 ALA HA H 4.88 0.03 1 853 . 108 ALA HB H 1.41 0.03 1 854 . 108 ALA C C 173.76 0.20 1 855 . 108 ALA CA C 51.71 0.20 1 856 . 108 ALA CB C 24.36 0.20 1 857 . 108 ALA N N 122.28 0.15 1 858 . 109 LEU H H 7.32 0.03 1 859 . 109 LEU HA H 5.18 0.03 1 860 . 109 LEU HB2 H 1.63 0.03 2 861 . 109 LEU HB3 H 1.37 0.03 2 862 . 109 LEU HG H 1.37 0.03 2 863 . 109 LEU HD1 H 0.98 0.03 2 864 . 109 LEU HD2 H 0.71 0.03 2 865 . 109 LEU C C 173.21 0.20 1 866 . 109 LEU CA C 54.24 0.20 1 867 . 109 LEU CB C 47.24 0.20 1 868 . 109 LEU CG C 27.71 0.20 1 869 . 109 LEU CD1 C 27.71 0.20 1 870 . 109 LEU CD2 C 24.71 0.20 1 871 . 109 LEU N N 120.64 0.15 1 872 . 110 ALA H H 7.74 0.03 1 873 . 110 ALA HA H 4.78 0.03 1 874 . 110 ALA HB H 1.29 0.03 1 875 . 110 ALA C C 177.28 0.20 1 876 . 110 ALA CA C 51.54 0.20 1 877 . 110 ALA CB C 23.18 0.20 1 878 . 110 ALA N N 123.45 0.15 1 879 . 111 TYR H H 7.61 0.03 1 880 . 111 TYR HA H 4.62 0.03 1 881 . 111 TYR HB2 H 3.07 0.03 2 882 . 111 TYR HB3 H 2.58 0.03 2 883 . 111 TYR HD1 H 7.60 0.03 3 884 . 111 TYR C C 173.43 0.20 1 885 . 111 TYR CA C 55.51 0.20 1 886 . 111 TYR CB C 38.21 0.20 1 887 . 111 TYR N N 117.14 0.15 1 888 . 112 SER H H 8.39 0.03 1 889 . 112 SER HA H 4.52 0.03 1 890 . 112 SER HB2 H 3.98 0.03 2 891 . 112 SER HB3 H 3.92 0.03 2 892 . 112 SER C C 175.96 0.20 1 893 . 112 SER CA C 60.07 0.20 1 894 . 112 SER CB C 64.71 0.20 1 895 . 112 SER N N 116.21 0.15 1 896 . 113 TYR H H 8.31 0.03 1 897 . 113 TYR HA H 5.43 0.03 1 898 . 113 TYR HB2 H 3.24 0.03 2 899 . 113 TYR HB3 H 2.99 0.03 2 900 . 113 TYR HD1 H 7.41 0.03 3 901 . 113 TYR C C 175.92 0.20 1 902 . 113 TYR CA C 54.08 0.20 1 903 . 113 TYR CB C 36.18 0.20 1 904 . 113 TYR N N 125.55 0.15 1 905 . 114 ILE H H 7.41 0.03 1 906 . 114 ILE HA H 4.03 0.03 1 907 . 114 ILE HB H 2.31 0.03 1 908 . 114 ILE HG12 H 1.58 0.03 2 909 . 114 ILE HG13 H 1.25 0.03 2 910 . 114 ILE HG2 H 1.14 0.03 1 911 . 114 ILE HD1 H 0.92 0.03 1 912 . 114 ILE C C 176.97 0.20 1 913 . 114 ILE CA C 64.96 0.20 1 914 . 114 ILE CB C 37.78 0.20 1 915 . 114 ILE CG1 C 26.52 0.20 1 916 . 114 ILE CG2 C 20.37 0.20 1 917 . 114 ILE CD1 C 13.67 0.20 1 918 . 114 ILE N N 115.97 0.15 1 919 . 115 ALA H H 8.54 0.03 1 920 . 115 ALA HA H 3.99 0.03 1 921 . 115 ALA HB H 1.36 0.03 1 922 . 115 ALA C C 180.16 0.20 1 923 . 115 ALA CA C 55.51 0.20 1 924 . 115 ALA CB C 18.20 0.20 1 925 . 115 ALA N N 122.51 0.15 1 926 . 116 GLY H H 6.51 0.03 1 927 . 116 GLY HA2 H 3.73 0.03 2 928 . 116 GLY HA3 H 3.33 0.03 2 929 . 116 GLY C C 174.45 0.20 1 930 . 116 GLY CA C 47.15 0.20 1 931 . 116 GLY N N 103.13 0.15 1 932 . 117 TYR H H 6.69 0.03 1 933 . 117 TYR HA H 4.01 0.03 1 934 . 117 TYR HB2 H 2.87 0.03 2 935 . 117 TYR HB3 H 2.20 0.03 2 936 . 117 TYR C C 176.47 0.20 1 937 . 117 TYR CA C 58.04 0.20 1 938 . 117 TYR CB C 38.40 0.20 1 939 . 117 TYR N N 123.45 0.15 1 940 . 118 LYS H H 8.21 0.03 1 941 . 118 LYS HA H 4.00 0.03 1 942 . 118 LYS HB2 H 1.99 0.03 2 943 . 118 LYS HG2 H 1.22 0.03 2 944 . 118 LYS C C 178.40 0.20 1 945 . 118 LYS CA C 58.89 0.20 1 946 . 118 LYS CB C 32.21 0.20 1 947 . 118 LYS CG C 24.56 0.20 1 948 . 118 LYS N N 119.48 0.15 1 949 . 119 GLU H H 7.47 0.03 1 950 . 119 GLU HA H 3.70 0.03 1 951 . 119 GLU HB2 H 2.01 0.03 2 952 . 119 GLU HB3 H 1.98 0.03 2 953 . 119 GLU HG2 H 2.25 0.03 2 954 . 119 GLU C C 178.09 0.20 1 955 . 119 GLU CA C 59.06 0.20 1 956 . 119 GLU CB C 29.68 0.20 1 957 . 119 GLU CG C 36.48 0.20 1 958 . 119 GLU N N 116.91 0.15 1 959 . 120 THR H H 7.43 0.03 1 960 . 120 THR HA H 4.11 0.03 1 961 . 120 THR HB H 4.38 0.03 1 962 . 120 THR HG2 H 1.56 0.03 1 963 . 120 THR C C 176.73 0.20 1 964 . 120 THR CA C 65.22 0.20 1 965 . 120 THR CB C 70.11 0.20 1 966 . 120 THR CG2 C 22.26 0.20 1 967 . 120 THR N N 109.90 0.15 1 968 . 121 GLY H H 7.26 0.03 1 969 . 121 GLY HA2 H 4.09 0.03 2 970 . 121 GLY HA3 H 3.78 0.03 2 971 . 121 GLY C C 173.40 0.20 1 972 . 121 GLY CA C 46.82 0.20 1 973 . 121 GLY N N 105.93 0.15 1 974 . 122 VAL H H 8.12 0.03 1 975 . 122 VAL HA H 4.42 0.03 1 976 . 122 VAL HB H 2.14 0.03 1 977 . 122 VAL HG1 H 1.03 0.03 2 978 . 122 VAL HG2 H 1.00 0.03 2 979 . 122 VAL C C 173.65 0.20 1 980 . 122 VAL CA C 62.09 0.20 1 981 . 122 VAL CB C 33.48 0.20 1 982 . 122 VAL CG1 C 21.71 0.20 1 983 . 122 VAL CG2 C 21.16 0.20 1 984 . 122 VAL N N 121.58 0.15 1 985 . 123 ALA H H 8.70 0.03 1 986 . 123 ALA HA H 4.63 0.03 1 987 . 123 ALA HB H 1.04 0.03 1 988 . 123 ALA CA C 51.80 0.20 1 989 . 123 ALA CB C 20.48 0.20 1 990 . 123 ALA N N 128.35 0.15 1 991 . 124 GLU H H 8.56 0.03 1 992 . 124 GLU HA H 4.62 0.03 1 993 . 124 GLU HB2 H 2.48 0.03 2 994 . 124 GLU HG2 H 2.82 0.03 2 995 . 124 GLU C C 173.76 0.20 1 996 . 124 GLU CA C 55.93 0.20 1 997 . 124 GLU CB C 29.34 0.20 1 998 . 124 GLU CG C 36.95 0.20 1 999 . 124 GLU N N 123.68 0.15 1 1000 . 125 GLU H H 7.42 0.03 1 1001 . 125 GLU HA H 4.56 0.03 1 1002 . 125 GLU HB2 H 1.81 0.03 2 1003 . 125 GLU HG2 H 2.23 0.03 2 1004 . 125 GLU C C 175.81 0.20 1 1005 . 125 GLU CA C 57.54 0.20 1 1006 . 125 GLU CB C 32.63 0.20 1 1007 . 125 GLU CG C 38.22 0.20 1 1008 . 125 GLU N N 115.04 0.15 1 1009 . 126 SER H H 7.28 0.03 1 1010 . 126 SER HA H 4.85 0.03 1 1011 . 126 SER HB2 H 3.98 0.03 2 1012 . 126 SER HB3 H 3.63 0.03 2 1013 . 126 SER C C 171.89 0.20 1 1014 . 126 SER CA C 56.86 0.20 1 1015 . 126 SER CB C 67.75 0.20 1 1016 . 126 SER N N 107.56 0.15 1 1017 . 127 GLY H H 8.33 0.03 1 1018 . 127 GLY HA2 H 4.24 0.03 2 1019 . 127 GLY HA3 H 3.90 0.03 2 1020 . 127 GLY C C 170.41 0.20 1 1021 . 127 GLY CA C 44.96 0.20 1 1022 . 127 GLY N N 107.80 0.20 1 1023 . 128 ILE H H 7.98 0.03 1 1024 . 128 ILE HA H 4.21 0.03 1 1025 . 128 ILE HB H 1.92 0.03 1 1026 . 128 ILE HG12 H 1.71 0.03 1 1027 . 128 ILE HG2 H 0.80 0.03 1 1028 . 128 ILE HD1 H 0.87 0.03 1 1029 . 128 ILE C C 176.71 0.20 1 1030 . 128 ILE CA C 61.92 0.20 1 1031 . 128 ILE CB C 39.98 0.20 1 1032 . 128 ILE CG1 C 28.30 0.20 1 1033 . 128 ILE CG2 C 19.18 0.20 1 1034 . 128 ILE CD1 C 14.13 0.20 1 1035 . 128 ILE N N 118.31 0.15 1 1036 . 129 ILE H H 8.96 0.03 1 1037 . 129 ILE HA H 4.56 0.03 1 1038 . 129 ILE HB H 1.86 0.03 1 1039 . 129 ILE HG12 H 1.15 0.03 1 1040 . 129 ILE HG2 H 0.86 0.03 1 1041 . 129 ILE HD1 H 0.60 0.03 1 1042 . 129 ILE C C 173.35 0.20 1 1043 . 129 ILE CA C 61.76 0.20 1 1044 . 129 ILE CB C 38.17 0.20 1 1045 . 129 ILE CG2 C 18.40 0.20 1 1046 . 129 ILE N N 118.78 0.15 1 1047 . 130 ALA H H 7.40 0.03 1 1048 . 130 ALA HA H 4.21 0.03 1 1049 . 130 ALA HB H 1.23 0.03 1 1050 . 130 ALA C C 173.94 0.20 1 1051 . 130 ALA CA C 53.32 0.20 1 1052 . 130 ALA CB C 23.60 0.20 1 1053 . 130 ALA N N 118.31 0.15 1 1054 . 131 LYS H H 8.38 0.03 1 1055 . 131 LYS HA H 5.07 0.03 1 1056 . 131 LYS C C 173.10 0.20 1 1057 . 131 LYS CA C 55.34 0.20 1 1058 . 131 LYS CB C 35.95 0.20 1 1059 . 131 LYS CG C 25.98 0.20 1 1060 . 131 LYS CD C 30.08 0.20 1 1061 . 131 LYS N N 119.71 0.15 1 1062 . 132 ILE H H 8.80 0.03 1 1063 . 132 ILE HA H 3.92 0.03 1 1064 . 132 ILE HB H 1.19 0.03 1 1065 . 132 ILE HG12 H 1.25 0.03 2 1066 . 132 ILE HG13 H 0.60 0.03 2 1067 . 132 ILE HG2 H 0.13 0.03 1 1068 . 132 ILE HD1 H 0.54 0.03 1 1069 . 132 ILE C C 174.63 0.20 1 1070 . 132 ILE CA C 60.83 0.20 1 1071 . 132 ILE CB C 42.77 0.20 1 1072 . 132 ILE CG1 C 28.42 0.20 1 1073 . 132 ILE CG2 C 19.13 0.20 1 1074 . 132 ILE CD1 C 15.31 0.20 1 1075 . 132 ILE N N 118.31 0.15 1 1076 . 133 GLY H H 7.73 0.03 1 1077 . 133 GLY HA2 H 4.89 0.03 2 1078 . 133 GLY HA3 H 2.87 0.03 2 1079 . 133 GLY C C 171.25 0.20 1 1080 . 133 GLY CA C 44.37 0.20 1 1081 . 133 GLY N N 112.47 0.15 1 1082 . 134 PHE H H 9.55 0.03 1 1083 . 134 PHE HA H 4.97 0.03 1 1084 . 134 PHE HB2 H 2.86 0.03 2 1085 . 134 PHE HB3 H 2.67 0.03 2 1086 . 134 PHE HD1 H 6.73 0.03 3 1087 . 134 PHE C C 173.61 0.20 1 1088 . 134 PHE CA C 57.03 0.20 1 1089 . 134 PHE CB C 41.75 0.20 1 1090 . 134 PHE N N 121.35 0.15 1 1091 . 135 LYS H H 9.62 0.03 1 1092 . 135 LYS C C 175.95 0.20 1 1093 . 135 LYS CA C 55.34 0.20 1 1094 . 135 LYS CB C 35.08 0.20 1 1095 . 135 LYS CG C 24.95 0.20 1 1096 . 135 LYS N N 125.78 0.15 1 1097 . 136 ILE H H 8.72 0.03 1 1098 . 136 ILE HA H 3.95 0.03 1 1099 . 136 ILE HB H 1.96 0.03 1 1100 . 136 ILE HG12 H 1.70 0.03 2 1101 . 136 ILE HG2 H 0.64 0.03 1 1102 . 136 ILE HD1 H 0.64 0.03 1 1103 . 136 ILE C C 176.56 0.20 1 1104 . 136 ILE CA C 63.78 0.20 1 1105 . 136 ILE CB C 38.37 0.20 1 1106 . 136 ILE CG1 C 28.57 0.20 1 1107 . 136 ILE CG2 C 18.16 0.20 1 1108 . 136 ILE CD1 C 13.80 0.20 1 1109 . 136 ILE N N 126.01 0.15 1 1110 . 137 LEU H H 9.54 0.03 1 1111 . 137 LEU HA H 4.48 0.03 1 1112 . 137 LEU HB2 H 1.42 0.03 2 1113 . 137 LEU HB3 H 1.13 0.03 2 1114 . 137 LEU HG H 1.60 0.03 1 1115 . 137 LEU HD1 H 0.75 0.03 2 1116 . 137 LEU HD2 H 0.73 0.03 2 1117 . 137 LEU C C 177.42 0.20 1 1118 . 137 LEU CA C 55.93 0.20 1 1119 . 137 LEU CB C 42.76 0.20 1 1120 . 137 LEU CG C 26.11 0.20 1 1121 . 137 LEU CD1 C 26.06 0.20 2 1122 . 137 LEU CD2 C 21.87 0.20 2 1123 . 137 LEU N N 127.42 0.15 1 1124 . 138 GLN H H 7.57 0.03 1 1125 . 138 GLN HA H 4.52 0.03 1 1126 . 138 GLN HB2 H 2.10 0.03 2 1127 . 138 GLN HB3 H 1.84 0.03 2 1128 . 138 GLN HG2 H 2.31 0.03 2 1129 . 138 GLN C C 172.86 0.20 1 1130 . 138 GLN CA C 54.75 0.20 1 1131 . 138 GLN CB C 34.24 0.20 1 1132 . 138 GLN N N 112.47 0.15 1 1133 . 139 LYS H H 8.70 0.03 1 1134 . 139 LYS HA H 4.05 0.03 1 1135 . 139 LYS HB2 H 1.85 0.03 2 1136 . 139 LYS HB3 H 1.62 0.03 2 1137 . 139 LYS HG2 H 1.49 0.03 2 1138 . 139 LYS HG3 H 1.28 0.03 2 1139 . 139 LYS HD2 H 1.87 0.03 1 1140 . 139 LYS C C 173.71 0.20 1 1141 . 139 LYS CA C 56.02 0.20 1 1142 . 139 LYS CB C 30.10 0.20 1 1143 . 139 LYS CG C 25.42 0.20 1 1144 . 139 LYS CD C 30.10 0.20 1 1145 . 139 LYS CE C 41.69 0.20 1 1146 . 139 LYS N N 120.64 0.15 1 1147 . 140 LYS H H 7.01 0.03 1 1148 . 140 LYS HA H 4.42 0.03 1 1149 . 140 LYS HB2 H 1.70 0.03 2 1150 . 140 LYS HB3 H 1.57 0.03 2 1151 . 140 LYS HG2 H 1.29 0.03 2 1152 . 140 LYS HD2 H 1.61 0.03 2 1153 . 140 LYS HE2 H 2.93 0.03 1 1154 . 140 LYS C C 173.38 0.20 1 1155 . 140 LYS CA C 54.50 0.20 1 1156 . 140 LYS CB C 36.43 0.20 1 1157 . 140 LYS CG C 24.74 0.20 1 1158 . 140 LYS CD C 29.39 0.20 1 1159 . 140 LYS CE C 41.55 0.20 1 1160 . 140 LYS N N 124.15 0.15 1 1161 . 141 SER H H 8.53 0.03 1 1162 . 141 SER HA H 4.78 0.03 1 1163 . 141 SER HB2 H 4.07 0.03 2 1164 . 141 SER HB3 H 3.83 0.03 2 1165 . 141 SER C C 173.70 0.20 1 1166 . 141 SER CA C 60.07 0.20 1 1167 . 141 SER CB C 63.19 0.20 1 1168 . 141 SER N N 117.14 0.15 1 1169 . 142 THR H H 8.42 0.03 1 1170 . 142 THR HA H 4.65 0.03 1 1171 . 142 THR HB H 4.05 0.03 1 1172 . 142 THR HG2 H 1.04 0.03 1 1173 . 142 THR C C 169.10 0.20 1 1174 . 142 THR CA C 61.84 0.20 1 1175 . 142 THR CB C 69.94 0.20 1 1176 . 142 THR CG2 C 18.71 0.20 1 1177 . 142 THR N N 118.07 0.15 1 1178 . 143 ALA H H 7.94 0.03 1 1179 . 143 ALA HA H 5.18 0.03 1 1180 . 143 ALA HB H 1.32 0.03 1 1181 . 143 ALA C C 176.60 0.20 1 1182 . 143 ALA CA C 50.78 0.20 1 1183 . 143 ALA CB C 22.59 0.20 1 1184 . 143 ALA N N 123.21 0.15 1 1185 . 144 VAL H H 8.44 0.03 1 1186 . 144 VAL HA H 4.60 0.03 1 1187 . 144 VAL HB H 1.62 0.03 1 1188 . 144 VAL HG1 H 0.61 0.03 2 1189 . 144 VAL HG2 H 0.31 0.03 2 1190 . 144 VAL C C 174.17 0.20 1 1191 . 144 VAL CA C 61.92 0.20 1 1192 . 144 VAL CB C 33.65 0.20 1 1193 . 144 VAL CG1 C 22.11 0.20 1 1194 . 144 VAL CG2 C 21.73 0.20 1 1195 . 144 VAL N N 126.48 0.15 1 1196 . 145 LYS H H 8.28 0.03 1 1197 . 145 LYS HA H 4.98 0.03 1 1198 . 145 LYS HB2 H 1.79 0.03 2 1199 . 145 LYS HB3 H 1.63 0.03 2 1200 . 145 LYS HG2 H 1.27 0.03 2 1201 . 145 LYS HG3 H 1.19 0.03 2 1202 . 145 LYS HD2 H 1.60 0.03 2 1203 . 145 LYS HE2 H 2.88 0.03 1 1204 . 145 LYS C C 176.19 0.20 1 1205 . 145 LYS CA C 54.91 0.20 1 1206 . 145 LYS CB C 36.68 0.20 1 1207 . 145 LYS CG C 24.71 0.20 1 1208 . 145 LYS CD C 30.24 0.20 1 1209 . 145 LYS CE C 42.24 0.20 1 1210 . 145 LYS N N 120.40 0.15 1 1211 . 146 PHE H H 9.61 0.03 1 1212 . 146 PHE HA H 5.37 0.03 1 1213 . 146 PHE HB2 H 3.86 0.03 2 1214 . 146 PHE HB3 H 2.82 0.03 2 1215 . 146 PHE HD1 H 7.06 0.03 3 1216 . 146 PHE C C 177.34 0.20 1 1217 . 146 PHE CA C 58.97 0.20 1 1218 . 146 PHE CB C 39.81 0.20 1 1219 . 146 PHE N N 121.11 0.15 1 1220 . 147 GLN H H 8.65 0.03 1 1221 . 147 GLN HA H 4.60 0.03 1 1222 . 147 GLN HB2 H 1.84 0.03 2 1223 . 147 GLN HB3 H 1.77 0.03 2 1224 . 147 GLN HG2 H 2.68 0.03 2 1225 . 147 GLN HG3 H 2.48 0.03 2 1226 . 147 GLN C C 174.97 0.20 1 1227 . 147 GLN CA C 55.42 0.20 1 1228 . 147 GLN CB C 34.91 0.20 1 1229 . 147 GLN CG C 34.91 0.20 1 1230 . 147 GLN N N 124.62 0.15 1 1231 . 148 ASP H H 8.52 0.03 1 1232 . 148 ASP HA H 4.40 0.03 1 1233 . 148 ASP HB2 H 2.71 0.03 2 1234 . 148 ASP HB3 H 2.47 0.03 2 1235 . 148 ASP C C 174.70 0.20 1 1236 . 148 ASP CA C 55.93 0.20 1 1237 . 148 ASP CB C 42.76 0.20 1 1238 . 148 ASP N N 123.45 0.15 1 1239 . 149 THR H H 9.18 0.03 1 1240 . 149 THR HA H 4.76 0.03 1 1241 . 149 THR HB H 4.09 0.03 1 1242 . 149 THR HG2 H 1.02 0.03 1 1243 . 149 THR C C 174.17 0.20 1 1244 . 149 THR CA C 58.72 0.20 1 1245 . 149 THR CB C 69.69 0.20 1 1246 . 149 THR CG2 C 21.00 0.20 1 1247 . 149 THR N N 113.87 0.15 1 1248 . 150 LEU H H 8.59 0.03 1 1249 . 150 LEU HA H 4.09 0.03 1 1250 . 150 LEU HB2 H 1.78 0.03 2 1251 . 150 LEU HB3 H 1.62 0.03 2 1252 . 150 LEU HG H 1.72 0.03 1 1253 . 150 LEU HD1 H 0.95 0.03 1 1254 . 150 LEU HD2 H 0.95 0.03 1 1255 . 150 LEU C C 177.68 0.20 1 1256 . 150 LEU CA C 58.04 0.20 1 1257 . 150 LEU CB C 41.75 0.20 1 1258 . 150 LEU CG C 27.32 0.20 1 1259 . 150 LEU CD1 C 25.03 0.20 2 1260 . 150 LEU CD2 C 23.84 0.20 2 1261 . 150 LEU N N 129.09 0.15 1 1262 . 151 SER H H 8.02 0.03 1 1263 . 151 SER HA H 4.37 0.03 1 1264 . 151 SER HB2 H 4.05 0.03 2 1265 . 151 SER HB3 H 3.86 0.03 2 1266 . 151 SER C C 173.49 0.20 1 1267 . 151 SER CA C 59.56 0.20 1 1268 . 151 SER CB C 63.28 0.20 1 1269 . 151 SER N N 110.37 0.15 1 1270 . 152 MET H H 7.71 0.03 1 1271 . 152 MET HA H 4.91 0.03 1 1272 . 152 MET HB2 H 2.10 0.03 2 1273 . 152 MET HB3 H 1.79 0.03 2 1274 . 152 MET HG2 H 2.31 0.03 2 1275 . 152 MET CA C 53.65 0.20 1 1276 . 152 MET CB C 35.34 0.20 1 1277 . 152 MET N N 119.71 0.15 1 1278 . 153 PRO HA H 4.49 0.03 1 1279 . 153 PRO C C 178.17 0.20 1 1280 . 153 PRO CA C 64.29 0.20 1 1281 . 153 PRO CB C 31.54 0.20 1 1282 . 154 GLY H H 8.86 0.03 1 1283 . 154 GLY HA2 H 4.01 0.03 2 1284 . 154 GLY HA3 H 3.94 0.03 2 1285 . 154 GLY C C 173.57 0.20 1 1286 . 154 GLY CA C 45.89 0.20 1 1287 . 154 GLY N N 109.67 0.15 1 1288 . 155 ALA H H 7.28 0.03 1 1289 . 155 ALA HA H 4.51 0.03 1 1290 . 155 ALA HB H 1.50 0.03 1 1291 . 155 ALA C C 176.02 0.20 1 1292 . 155 ALA CA C 52.22 0.20 1 1293 . 155 ALA CB C 20.82 0.20 1 1294 . 155 ALA N N 120.64 0.15 1 1295 . 156 ILE H H 8.79 0.03 1 1296 . 156 ILE HA H 4.24 0.03 1 1297 . 156 ILE HB H 1.62 0.03 1 1298 . 156 ILE HG12 H 1.60 0.03 2 1299 . 156 ILE HG13 H 0.97 0.03 2 1300 . 156 ILE HG2 H 0.67 0.03 1 1301 . 156 ILE HD1 H 0.67 0.03 1 1302 . 156 ILE C C 175.57 0.20 1 1303 . 156 ILE CA C 61.16 0.20 1 1304 . 156 ILE CB C 37.78 0.20 1 1305 . 156 ILE CG1 C 27.47 0.20 2 1306 . 156 ILE CG2 C 17.53 0.20 2 1307 . 156 ILE CD1 C 13.18 0.20 1 1308 . 156 ILE N N 119.01 0.15 1 1309 . 157 SER H H 9.46 0.03 1 1310 . 157 SER HA H 4.78 0.03 1 1311 . 157 SER HB2 H 4.21 0.03 2 1312 . 157 SER HB3 H 3.89 0.03 2 1313 . 157 SER C C 176.32 0.20 1 1314 . 157 SER CA C 57.96 0.20 1 1315 . 157 SER CB C 63.61 0.20 1 1316 . 157 SER N N 125.55 0.15 1 1317 . 158 GLY H H 8.17 0.03 1 1318 . 158 GLY HA2 H 4.28 0.03 2 1319 . 158 GLY HA3 H 3.48 0.03 2 1320 . 158 GLY C C 172.11 0.20 1 1321 . 158 GLY CA C 46.65 0.20 1 1322 . 158 GLY N N 99.40 0.15 1 1323 . 159 THR H H 7.55 0.03 1 1324 . 159 THR HA H 5.12 0.03 1 1325 . 159 THR HB H 3.71 0.03 1 1326 . 159 THR HG2 H 0.74 0.03 1 1327 . 159 THR C C 171.71 0.20 1 1328 . 159 THR CA C 59.56 0.20 1 1329 . 159 THR CB C 73.66 0.20 1 1330 . 159 THR N N 106.63 0.15 1 1331 . 160 GLN H H 8.89 0.03 1 1332 . 160 GLN HA H 4.79 0.03 1 1333 . 160 GLN HB2 H 2.01 0.03 2 1334 . 160 GLN HB3 H 1.61 0.03 2 1335 . 160 GLN HG2 H 2.01 0.03 2 1336 . 160 GLN C C 172.25 0.20 1 1337 . 160 GLN CA C 56.02 0.20 1 1338 . 160 GLN CB C 33.65 0.20 1 1339 . 160 GLN CG C 35.37 0.20 1 1340 . 160 GLN N N 122.28 0.15 1 1341 . 161 LEU H H 8.86 0.03 1 1342 . 161 LEU HA H 5.30 0.03 1 1343 . 161 LEU HB2 H 1.59 0.03 2 1344 . 161 LEU HB3 H 1.48 0.03 2 1345 . 161 LEU HG H 1.54 0.03 1 1346 . 161 LEU HD1 H 0.03 0.03 2 1347 . 161 LEU HD2 H 0.80 0.03 2 1348 . 161 LEU C C 173.81 0.20 1 1349 . 161 LEU CA C 53.32 0.20 1 1350 . 161 LEU CB C 44.96 0.20 1 1351 . 161 LEU CG C 27.40 0.20 1 1352 . 161 LEU CD1 C 25.11 0.20 1 1353 . 161 LEU CD2 C 23.92 0.20 1 1354 . 161 LEU N N 125.32 0.15 1 1355 . 162 PHE H H 8.57 0.03 1 1356 . 162 PHE HA H 5.48 0.03 1 1357 . 162 PHE HB2 H 3.08 0.03 2 1358 . 162 PHE HB3 H 2.37 0.03 2 1359 . 162 PHE HD1 H 6.82 0.03 3 1360 . 162 PHE HE1 H 7.19 0.03 3 1361 . 162 PHE C C 175.26 0.20 1 1362 . 162 PHE CA C 56.61 0.20 1 1363 . 162 PHE CB C 43.95 0.20 1 1364 . 162 PHE N N 117.84 0.15 1 1365 . 163 ASP H H 9.22 0.03 1 1366 . 163 ASP HA H 5.44 0.03 1 1367 . 163 ASP HB2 H 3.08 0.03 2 1368 . 163 ASP HB3 H 2.64 0.03 2 1369 . 163 ASP C C 179.77 0.20 1 1370 . 163 ASP CA C 52.39 0.20 1 1371 . 163 ASP CB C 44.11 0.20 1 1372 . 163 ASP N N 119.94 0.15 1 1373 . 164 TRP H H 8.13 0.03 1 1374 . 164 TRP HE1 H 10.02 0.03 1 1375 . 164 TRP C C 173.81 0.20 1 1376 . 164 TRP CA C 56.61 0.20 1 1377 . 164 TRP CB C 28.58 0.20 1 1378 . 164 TRP N N 113.64 0.15 1 1379 . 164 TRP NE1 N 128.76 0.15 1 1380 . 165 ASP H H 8.83 0.03 1 1381 . 165 ASP HA H 5.08 0.03 1 1382 . 165 ASP HB2 H 3.03 0.03 2 1383 . 165 ASP HB3 H 2.97 0.03 2 1384 . 165 ASP C C 176.79 0.20 1 1385 . 165 ASP CA C 55.51 0.20 1 1386 . 165 ASP CB C 42.43 0.20 1 1387 . 165 ASP N N 117.37 0.15 1 1388 . 166 GLY H H 8.75 0.03 1 1389 . 166 GLY HA2 H 4.21 0.03 2 1390 . 166 GLY HA3 H 3.88 0.03 2 1391 . 166 GLY CA C 45.63 0.20 1 1392 . 166 GLY N N 109.67 0.15 1 1393 . 167 GLU H H 8.38 0.03 1 1394 . 167 GLU HA H 4.60 0.03 1 1395 . 167 GLU HB2 H 2.13 0.03 2 1396 . 167 GLU HG2 H 2.28 0.03 2 1397 . 167 GLU C C 175.55 0.20 1 1398 . 167 GLU CA C 55.34 0.20 1 1399 . 167 GLU CB C 31.03 0.20 1 1400 . 167 GLU CG C 36.17 0.20 1 1401 . 167 GLU N N 119.71 0.15 1 1402 . 168 VAL H H 8.55 0.03 1 1403 . 168 VAL HA H 4.07 0.03 1 1404 . 168 VAL HB H 1.95 0.03 1 1405 . 168 VAL HG1 H 0.96 0.03 1 1406 . 168 VAL HG2 H 0.96 0.03 1 1407 . 168 VAL C C 176.56 0.20 1 1408 . 168 VAL CA C 63.53 0.20 1 1409 . 168 VAL CB C 33.06 0.20 1 1410 . 168 VAL CG1 C 22.50 0.20 1 1411 . 168 VAL CG2 C 21.70 0.20 1 1412 . 168 VAL N N 120.41 0.15 1 1413 . 169 ILE H H 8.86 0.03 1 1414 . 169 ILE HB H 1.58 0.03 1 1415 . 169 ILE C C 174.93 0.20 1 1416 . 169 ILE CA C 61.84 0.20 1 1417 . 169 ILE CB C 40.23 0.20 1 1418 . 169 ILE CG1 C 28.09 0.20 1 1419 . 169 ILE CG2 C 17.53 0.20 1 1420 . 169 ILE CD1 C 11.29 0.20 1 1421 . 169 ILE N N 130.45 0.15 1 1422 . 170 THR H H 8.42 0.03 1 1423 . 170 THR HA H 4.72 0.03 1 1424 . 170 THR HB H 4.24 0.03 1 1425 . 170 THR HG2 H 1.17 0.03 1 1426 . 170 THR C C 175.02 0.20 1 1427 . 170 THR CA C 60.41 0.20 1 1428 . 170 THR CB C 71.55 0.20 1 1429 . 170 THR CG2 C 21.55 0.20 1 1430 . 170 THR N N 114.80 0.15 1 1431 . 171 GLY H H 8.38 0.03 1 1432 . 171 GLY HA2 H 4.08 0.03 2 1433 . 171 GLY HA3 H 3.71 0.03 2 1434 . 171 GLY C C 172.99 0.20 1 1435 . 171 GLY CA C 46.98 0.20 1 1436 . 171 GLY N N 105.70 0.15 1 1437 . 172 TYR H H 6.57 0.03 1 1438 . 172 TYR HA H 4.79 0.03 1 1439 . 172 TYR HB2 H 2.65 0.03 2 1440 . 172 TYR HB3 H 2.44 0.03 2 1441 . 172 TYR HD1 H 6.59 0.03 3 1442 . 172 TYR C C 172.66 0.20 1 1443 . 172 TYR CA C 54.33 0.20 1 1444 . 172 TYR CB C 40.32 0.20 1 1445 . 172 TYR N N 113.64 0.15 1 1446 . 173 GLU H H 8.30 0.03 1 1447 . 173 GLU HA H 4.46 0.03 1 1448 . 173 GLU HB2 H 1.93 0.03 2 1449 . 173 GLU HG2 H 2.36 0.03 2 1450 . 173 GLU HG3 H 2.45 0.03 2 1451 . 173 GLU CA C 55.42 0.20 1 1452 . 173 GLU CB C 32.46 0.20 1 1453 . 173 GLU CG C 36.64 0.20 1 1454 . 173 GLU N N 119.01 0.15 1 1455 . 174 VAL H H 8.49 0.03 1 1456 . 174 VAL HA H 4.39 0.03 1 1457 . 174 VAL HB H 2.00 0.03 1 1458 . 174 VAL HG1 H 0.80 0.03 2 1459 . 174 VAL HG2 H 0.73 0.03 2 1460 . 174 VAL C C 175.10 0.20 1 1461 . 174 VAL CA C 62.35 0.20 1 1462 . 174 VAL CB C 32.55 0.20 1 1463 . 174 VAL CG1 C 21.87 0.20 1 1464 . 174 VAL CG2 C 21.87 0.20 1 1465 . 174 VAL N N 123.45 0.15 1 1466 . 175 ILE H H 9.27 0.03 1 1467 . 175 ILE HA H 4.38 0.03 1 1468 . 175 ILE HB H 1.98 0.03 1 1469 . 175 ILE HG12 H 1.57 0.03 1 1470 . 175 ILE HG13 H 1.57 0.03 1 1471 . 175 ILE HG2 H 0.98 0.03 1 1472 . 175 ILE HD1 H 0.80 0.03 1 1473 . 175 ILE C C 175.05 0.20 1 1474 . 175 ILE CA C 61.84 0.20 1 1475 . 175 ILE CB C 37.61 0.20 1 1476 . 175 ILE CG1 C 26.45 0.20 1 1477 . 175 ILE CG2 C 17.37 0.20 1 1478 . 175 ILE CD1 C 12.71 0.20 1 1479 . 175 ILE N N 129.99 0.15 1 1480 . 176 GLN H H 8.37 0.03 1 1481 . 176 GLN CA C 53.82 0.20 1 1482 . 176 GLN CB C 27.74 0.20 1 1483 . 176 GLN N N 124.85 0.15 1 1484 . 177 PRO HA H 4.90 0.03 1 1485 . 177 PRO HB2 H 2.54 0.03 2 1486 . 177 PRO HB3 H 2.27 0.03 2 1487 . 177 PRO HG2 H 1.97 0.03 2 1488 . 177 PRO C C 177.21 0.20 1 1489 . 177 PRO CA C 62.77 0.20 1 1490 . 177 PRO CB C 32.38 0.20 1 1491 . 178 ASP H H 8.18 0.03 1 1492 . 178 ASP HA H 4.54 0.03 1 1493 . 178 ASP HB2 H 2.87 0.03 2 1494 . 178 ASP HB3 H 2.66 0.03 2 1495 . 178 ASP C C 176.66 0.20 1 1496 . 178 ASP CA C 54.83 0.20 1 1497 . 178 ASP CB C 41.75 0.20 1 1498 . 178 ASP N N 119.94 0.15 1 1499 . 179 VAL H H 8.36 0.03 1 1500 . 179 VAL HA H 3.77 0.03 1 1501 . 179 VAL HB H 1.91 0.03 1 1502 . 179 VAL HG1 H 1.00 0.03 2 1503 . 179 VAL HG2 H 0.87 0.03 2 1504 . 179 VAL C C 175.10 0.20 1 1505 . 179 VAL CA C 64.46 0.20 1 1506 . 179 VAL CB C 33.22 0.20 1 1507 . 179 VAL CG1 C 22.55 0.20 1 1508 . 179 VAL CG2 C 20.78 0.20 1 1509 . 179 VAL N N 120.41 0.15 1 1510 . 180 LEU H H 8.43 0.03 1 1511 . 180 LEU HA H 4.44 0.03 1 1512 . 180 LEU HB2 H 1.85 0.03 2 1513 . 180 LEU HB3 H 0.84 0.03 2 1514 . 180 LEU HG H 1.34 0.03 1 1515 . 180 LEU HD1 H 0.09 0.03 2 1516 . 180 LEU HD2 H 0.29 0.03 2 1517 . 180 LEU C C 176.14 0.20 1 1518 . 180 LEU CA C 53.99 0.20 1 1519 . 180 LEU CB C 41.41 0.20 1 1520 . 180 LEU CG C 26.38 0.20 1 1521 . 180 LEU CD1 C 25.74 0.20 2 1522 . 180 LEU CD2 C 23.10 0.20 2 1523 . 180 LEU N N 125.55 0.15 1 1524 . 181 SER H H 8.41 0.03 1 1525 . 181 SER HA H 4.67 0.03 1 1526 . 181 SER HB2 H 3.89 0.03 2 1527 . 181 SER HB3 H 3.83 0.03 2 1528 . 181 SER C C 175.25 0.20 1 1529 . 181 SER CA C 56.78 0.20 1 1530 . 181 SER CB C 61.84 0.20 1 1531 . 181 SER N N 123.91 0.15 1 1532 . 182 LEU H H 7.36 0.03 1 1533 . 182 LEU HA H 4.10 0.03 1 1534 . 182 LEU HB2 H 1.73 0.03 2 1535 . 182 LEU HB3 H 1.61 0.03 2 1536 . 182 LEU HG H 1.48 0.03 1 1537 . 182 LEU HD1 H 0.92 0.03 2 1538 . 182 LEU HD2 H 0.73 0.03 2 1539 . 182 LEU C C 177.20 0.20 1 1540 . 182 LEU CA C 55.93 0.20 1 1541 . 182 LEU CB C 42.00 0.20 1 1542 . 182 LEU CG C 26.29 0.20 1 1543 . 182 LEU CD1 C 25.84 0.20 2 1544 . 182 LEU CD2 C 23.45 0.20 2 1545 . 182 LEU N N 117.14 0.15 1 1546 . 183 GLY H H 8.03 0.03 1 1547 . 183 GLY HA2 H 4.08 0.03 2 1548 . 183 GLY HA3 H 3.77 0.03 2 1549 . 183 GLY C C 173.73 0.20 1 1550 . 183 GLY CA C 45.21 0.20 1 1551 . 183 GLY N N 103.13 0.15 1 1552 . 184 ASP H H 8.36 0.03 1 1553 . 184 ASP HA H 4.54 0.03 1 1554 . 184 ASP HB2 H 3.01 0.03 2 1555 . 184 ASP HB3 H 2.49 0.03 2 1556 . 184 ASP C C 174.58 0.20 1 1557 . 184 ASP CA C 55.00 0.20 1 1558 . 184 ASP CB C 41.75 0.20 1 1559 . 184 ASP N N 120.88 0.15 1 1560 . 185 GLU H H 8.18 0.03 1 1561 . 185 GLU CA C 55.00 0.20 1 1562 . 185 GLU CB C 30.35 0.20 1 1563 . 185 GLU N N 119.01 0.15 1 1564 . 186 PRO HA H 4.40 0.03 1 1565 . 186 PRO HB2 H 2.19 0.03 2 1566 . 186 PRO HB3 H 1.98 0.03 2 1567 . 186 PRO HG2 H 1.92 0.03 2 1568 . 186 PRO C C 175.18 0.20 1 1569 . 186 PRO CA C 63.78 0.20 1 1570 . 186 PRO CB C 32.13 0.20 1 1571 . 186 PRO CG C 27.40 0.20 1 1572 . 187 PHE H H 7.50 0.03 1 1573 . 187 PHE HA H 4.45 0.03 1 1574 . 187 PHE HB2 H 3.08 0.03 2 1575 . 187 PHE HB3 H 3.02 0.03 2 1576 . 187 PHE CA C 59.22 0.20 1 1577 . 187 PHE CB C 40.65 0.20 1 1578 . 187 PHE N N 123.21 0.15 1 stop_ save_