data_18728 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; SOLUTION STRUCTURE ; _BMRB_accession_number 18728 _BMRB_flat_file_name bmr18728.str _Entry_type original _Submission_date 2012-09-19 _Accession_date 2012-09-19 _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 Barraud Pierre . . 2 Allain Frederic H.-T. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1083 "13C chemical shifts" 801 "15N chemical shifts" 198 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-18 update BMRB 'update entry citation' 2013-01-03 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the two RNA recognition motifs of hnRNP A1 using segmental isotope labeling: how the relative orientation between RRMs influences the nucleic acid binding topology.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23247503 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Barraud Pierre . . 2 Allain 'Frederic H-T' . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of biomolecular NMR' _Journal_volume 55 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 119 _Page_last 138 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name UP1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label UP1 $UP1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_UP1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common UP1 _Molecular_mass 22229.115 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 197 _Mol_residue_sequence ; GGSKSESPKEPEQLRKLFIG GLSFETTDESLRSHFEQWGT LTDCVVMRDPNTKRSRGFGF VTYATVEEVDAAMNARPHKV DGRVVEPKRAVSREDSQRPG AHLTVKKIFVGGIKEDTEEH HLRDYFEQYGKIEVIEIMTD RGSGKKRGFAFVTFDDHDSV DKIVIQKYHTVNGHNCEVRK ALSKQEMASASSSQRGR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -1 GLY 2 1 GLY 3 2 SER 4 3 LYS 5 4 SER 6 5 GLU 7 6 SER 8 7 PRO 9 8 LYS 10 9 GLU 11 10 PRO 12 11 GLU 13 12 GLN 14 13 LEU 15 14 ARG 16 15 LYS 17 16 LEU 18 17 PHE 19 18 ILE 20 19 GLY 21 20 GLY 22 21 LEU 23 22 SER 24 23 PHE 25 24 GLU 26 25 THR 27 26 THR 28 27 ASP 29 28 GLU 30 29 SER 31 30 LEU 32 31 ARG 33 32 SER 34 33 HIS 35 34 PHE 36 35 GLU 37 36 GLN 38 37 TRP 39 38 GLY 40 39 THR 41 40 LEU 42 41 THR 43 42 ASP 44 43 CYS 45 44 VAL 46 45 VAL 47 46 MET 48 47 ARG 49 48 ASP 50 49 PRO 51 50 ASN 52 51 THR 53 52 LYS 54 53 ARG 55 54 SER 56 55 ARG 57 56 GLY 58 57 PHE 59 58 GLY 60 59 PHE 61 60 VAL 62 61 THR 63 62 TYR 64 63 ALA 65 64 THR 66 65 VAL 67 66 GLU 68 67 GLU 69 68 VAL 70 69 ASP 71 70 ALA 72 71 ALA 73 72 MET 74 73 ASN 75 74 ALA 76 75 ARG 77 76 PRO 78 77 HIS 79 78 LYS 80 79 VAL 81 80 ASP 82 81 GLY 83 82 ARG 84 83 VAL 85 84 VAL 86 85 GLU 87 86 PRO 88 87 LYS 89 88 ARG 90 89 ALA 91 90 VAL 92 91 SER 93 92 ARG 94 93 GLU 95 94 ASP 96 95 SER 97 96 GLN 98 97 ARG 99 98 PRO 100 99 GLY 101 100 ALA 102 101 HIS 103 102 LEU 104 103 THR 105 104 VAL 106 105 LYS 107 106 LYS 108 107 ILE 109 108 PHE 110 109 VAL 111 110 GLY 112 111 GLY 113 112 ILE 114 113 LYS 115 114 GLU 116 115 ASP 117 116 THR 118 117 GLU 119 118 GLU 120 119 HIS 121 120 HIS 122 121 LEU 123 122 ARG 124 123 ASP 125 124 TYR 126 125 PHE 127 126 GLU 128 127 GLN 129 128 TYR 130 129 GLY 131 130 LYS 132 131 ILE 133 132 GLU 134 133 VAL 135 134 ILE 136 135 GLU 137 136 ILE 138 137 MET 139 138 THR 140 139 ASP 141 140 ARG 142 141 GLY 143 142 SER 144 143 GLY 145 144 LYS 146 145 LYS 147 146 ARG 148 147 GLY 149 148 PHE 150 149 ALA 151 150 PHE 152 151 VAL 153 152 THR 154 153 PHE 155 154 ASP 156 155 ASP 157 156 HIS 158 157 ASP 159 158 SER 160 159 VAL 161 160 ASP 162 161 LYS 163 162 ILE 164 163 VAL 165 164 ILE 166 165 GLN 167 166 LYS 168 167 TYR 169 168 HIS 170 169 THR 171 170 VAL 172 171 ASN 173 172 GLY 174 173 HIS 175 174 ASN 176 175 CYS 177 176 GLU 178 177 VAL 179 178 ARG 180 179 LYS 181 180 ALA 182 181 LEU 183 182 SER 184 183 LYS 185 184 GLN 186 185 GLU 187 186 MET 188 187 ALA 189 188 SER 190 189 ALA 191 190 SER 192 191 SER 193 192 SER 194 193 GLN 195 194 ARG 196 195 GLY 197 196 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-22 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 1L3K "Up1, The Two Rna-Recognition Motif Domain Of Hnrnp A1" 98.98 196 100.00 100.00 5.87e-141 PDB 1PGZ "Crystal Structure Of Up1 Complexed With D(Ttagggttag(6-Mi) G); A Human Telomeric Repeat Containing 6-Methyl-8-(2- Deoxy-Beta-Ri" 98.98 195 100.00 100.00 7.61e-141 PDB 1U1K "Crystal Structure Of Up1 Complexed With D(Ttagggtt 7da Ggg); A Human Telomeric Repeat Containing 7-Deaza-Adenine" 98.98 196 100.00 100.00 5.87e-141 PDB 1U1L "Crystal Structure Of Up1 Complexed With D(Ttagggtt Prn Ggg); A Human Telomeric Repeat Containing Nebularine" 98.98 196 100.00 100.00 5.87e-141 PDB 1U1M "Crystal Structure Of Up1 Complexed With D(Ttagggtta 7gu Gg); A Human Telomeric Repeat Containing 7-Deaza-Guanine" 98.98 196 100.00 100.00 5.87e-141 PDB 1U1N "Crystal Structure Of Up1 Complexed With D(Ttagggtta (Prn) Gg); A Human Telomeric Repeat Containing Nebularine" 98.98 196 100.00 100.00 5.87e-141 PDB 1U1O "Crystal Structure Of Up1 Complexed With D(Ttagggttag(Di)g); A Human Telomeric Repeat Containing Inosine" 98.98 196 100.00 100.00 5.87e-141 PDB 1U1P "Crystal Structure Of Up1 Complexed With D(Ttagggtta 2pr Gg); A Human Telomeric Repeat Containing 2-Aminopurine" 98.98 196 100.00 100.00 5.87e-141 PDB 1U1Q "Crystal Structure Of Up1 Complexed With D(Ttagggtta(Di)gg); A Human Telomeric Repeat Containing Inosine" 98.98 196 100.00 100.00 5.87e-141 PDB 1U1R "Crystal Structure Of Up1 Complexed With D(Ttagggttag(2pr) G); A Human Telomeric Repeat Containing 2-Aminopurine" 98.98 196 100.00 100.00 5.87e-141 PDB 2LYV "Solution Structure Of The Two Rrm Domains Of Hnrnp A1 (up1) Using Segmental Isotope Labeling" 100.00 197 100.00 100.00 2.31e-142 PDB 4YOE "Structure Of Up1 Bound To Rna 5'-agu-3'" 100.00 206 99.49 99.49 4.94e-141 DBJ BAA13161 "TIS [Mus musculus]" 98.98 268 100.00 100.00 1.75e-140 DBJ BAA13162 "TIS [Mus musculus]" 98.98 320 100.00 100.00 7.36e-141 DBJ BAB25267 "unnamed protein product [Mus musculus]" 98.98 320 100.00 100.00 7.36e-141 DBJ BAC40273 "unnamed protein product [Mus musculus]" 98.98 320 100.00 100.00 7.36e-141 DBJ BAE00617 "unnamed protein product [Macaca fascicularis]" 98.98 320 100.00 100.00 7.36e-141 EMBL CAA29922 "unnamed protein product [Homo sapiens]" 98.98 320 98.97 100.00 9.26e-140 EMBL CAA31191 "hnrnp a1 protein [Homo sapiens]" 98.98 320 100.00 100.00 7.36e-141 EMBL CAA56072 "hnRNPcore protein A1 [Homo sapiens]" 98.98 320 100.00 100.00 7.36e-141 EMBL CAG31480 "hypothetical protein RCJMB04_6o1 [Gallus gallus]" 98.98 368 97.44 99.49 2.08e-139 EMBL CAH18571 "heterogeneous nuclear ribonucleoprotein A1 [Pan troglodytes]" 98.98 320 100.00 100.00 7.36e-141 GB AAA37633 "RNA binding protein [Mus musculus domesticus]" 98.98 320 100.00 100.00 7.36e-141 GB AAA41314 "helix destabilizing protein [Rattus norvegicus]" 98.98 320 99.49 99.49 5.08e-140 GB AAB01436 "hnRNP A1-gamma isoform [Macaca mulatta]" 98.98 320 98.97 100.00 1.06e-139 GB AAH02355 "Heterogeneous nuclear ribonucleoprotein A1 [Homo sapiens]" 98.98 320 100.00 100.00 7.36e-141 GB AAH09600 "Heterogeneous nuclear ribonucleoprotein A1 [Homo sapiens]" 98.98 320 100.00 100.00 7.36e-141 PIR DDRT "helix-destabilizing protein - rat" 98.98 320 100.00 100.00 7.36e-141 PIR S04617 "heterogeneous ribonuclear particle protein A1 - human" 98.98 320 100.00 100.00 7.36e-141 REF NP_001011724 "heterogeneous nuclear ribonucleoprotein A1-like 2 [Homo sapiens]" 98.98 320 97.44 97.44 5.49e-136 REF NP_001011725 "heterogeneous nuclear ribonucleoprotein A1-like 2 [Homo sapiens]" 98.98 320 97.44 97.44 5.49e-136 REF NP_001034218 "heterogeneous nuclear ribonucleoprotein A1 isoform b [Mus musculus]" 98.98 373 100.00 100.00 9.05e-143 REF NP_001036248 "heterogeneous nuclear ribonucleoprotein A1 [Macaca mulatta]" 98.98 320 98.97 100.00 1.06e-139 REF NP_001039376 "heterogeneous nuclear ribonucleoprotein A1 [Bos taurus]" 98.98 320 100.00 100.00 7.36e-141 SP A5A6H4 "RecName: Full=Heterogeneous nuclear ribonucleoprotein A1; Short=hnRNP A1; AltName: Full=Helix-destabilizing protein; AltName: F" 98.98 320 100.00 100.00 7.36e-141 SP P04256 "RecName: Full=Heterogeneous nuclear ribonucleoprotein A1; Short=hnRNP A1; AltName: Full=Helix-destabilizing protein; Short=HDP;" 98.98 320 99.49 99.49 5.08e-140 SP P09651 "RecName: Full=Heterogeneous nuclear ribonucleoprotein A1; Short=hnRNP A1; AltName: Full=Helix-destabilizing protein; AltName: F" 98.98 372 100.00 100.00 7.68e-143 SP P09867 "RecName: Full=Heterogeneous nuclear ribonucleoprotein A1; Short=hnRNP A1; AltName: Full=Helix-destabilizing protein; AltName: F" 98.98 320 100.00 100.00 7.36e-141 SP P49312 "RecName: Full=Heterogeneous nuclear ribonucleoprotein A1; Short=hnRNP A1; AltName: Full=HDP-1; AltName: Full=Helix-destabilizin" 98.98 320 100.00 100.00 7.36e-141 TPG DAA30020 "TPA: heterogeneous nuclear ribonucleoprotein A1 [Bos taurus]" 98.98 320 100.00 100.00 7.36e-141 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $UP1 Humans 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $UP1 'recombinant technology' . Escherichia coli BL21(DE3)codon+RIL pET28a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_segmental-labelled _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $UP1 1.0 mM 'RRM1[U-13C, U-15N]-RRM2[natural abundance]' 'sodium phosphate' 10 mM 'natural abundance' DTT 1 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_15n_h2o _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $UP1 . mM 0.8 1.2 [U-15N] 'sodium phosphate' 10 mM . . 'natural abundance' DTT 1 mM . . 'natural abundance' D2O 10 % . . 'natural abundance' H2O 90 % . . 'natural abundance' stop_ save_ save_15n_d2o _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $UP1 . mM 0.8 1.2 [U-15N] 'sodium phosphate' 10 mM . . 'natural abundance' DTT 1 mM . . 'natural abundance' D2O 100 % . . 'natural abundance' stop_ save_ save_13c15n_h2o _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $UP1 . mM 0.8 1.2 '[U-13C; U-15N]' 'sodium phosphate' 10 mM . . 'natural abundance' DTT 1 mM . . 'natural abundance' D2O 10 % . . 'natural abundance' H2O 90 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address Guntert . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version talos+ loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_ProcheckNMR _Saveframe_category software _Name ProcheckNMR _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 750 _Details . save_ save_spectrometer_5 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15n_h2o save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $13c15n_h2o save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $13c15n_h2o save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $13c15n_h2o save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $13c15n_h2o save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $13c15n_h2o save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $13c15n_h2o save_ save_3D_HN(CA)CO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $13c15n_h2o save_ save_3D_H(CCO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $13c15n_h2o save_ save_3D_C(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $13c15n_h2o save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $15n_h2o save_ save_3D_1H-13C_NOESY_aromatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $13c15n_h2o save_ save_3D_1H-13C_NOESY_aliphatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $13c15n_h2o save_ save_2D_1H-1H_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $15n_d2o save_ save_2D_1H-1H_TOCSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $15n_d2o save_ save_2D_1H-15N_IPAP_HSQC_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N IPAP HSQC' _Sample_label $15n_h2o save_ save_2D_long-range_1H-15N_HSQC_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D long-range 1H-15N HSQC' _Sample_label $15n_h2o save_ save_3D_13C_F1-edited_F3-filtered_NOESY-HSQC_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C F1-edited F3-filtered NOESY-HSQC' _Sample_label $segmental-labelled save_ save_2D_1H-15N_IPAP_HSQC_19 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N IPAP HSQC' _Sample_label $15n_h2o save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 10 . mM pH 6.5 . pH pressure 1 . atm temperature 303 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details ; anisotropic conditions 3% C12E5/hexanol (r=0.96) ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 10 . mM pH 6.5 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _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 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY aromatic' '3D 1H-13C NOESY aliphatic' '2D 1H-1H NOESY' '2D long-range 1H-15N HSQC' stop_ loop_ _Sample_label $15n_h2o $13c15n_h2o $15n_d2o stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name UP1 _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 5 6 GLU H H 8.321 0.020 1 2 5 6 GLU HA H 4.345 0.020 1 3 5 6 GLU HB2 H 1.884 0.020 2 4 5 6 GLU HB3 H 2.032 0.020 2 5 5 6 GLU HG2 H 2.212 0.020 1 6 5 6 GLU HG3 H 2.212 0.020 1 7 5 6 GLU C C 176.240 0.300 1 8 5 6 GLU CA C 56.190 0.300 1 9 5 6 GLU CB C 30.611 0.300 1 10 5 6 GLU CG C 36.204 0.300 1 11 5 6 GLU N N 122.509 0.300 1 12 6 7 SER H H 8.349 0.020 1 13 6 7 SER HA H 4.342 0.020 1 14 6 7 SER HB2 H 3.766 0.020 2 15 6 7 SER HB3 H 3.860 0.020 2 16 6 7 SER CA C 56.305 0.300 1 17 6 7 SER CB C 63.241 0.300 1 18 6 7 SER N N 118.728 0.300 1 19 7 8 PRO HA H 4.427 0.020 1 20 7 8 PRO HB2 H 2.336 0.020 1 21 7 8 PRO HB3 H 2.336 0.020 1 22 7 8 PRO HG2 H 2.008 0.020 1 23 7 8 PRO HG3 H 2.008 0.020 1 24 7 8 PRO HD2 H 3.665 0.020 2 25 7 8 PRO HD3 H 3.819 0.020 2 26 7 8 PRO C C 177.027 0.300 1 27 7 8 PRO CA C 63.271 0.300 1 28 7 8 PRO CB C 32.111 0.300 1 29 7 8 PRO CG C 27.552 0.300 1 30 7 8 PRO CD C 50.801 0.300 1 31 8 9 LYS H H 8.445 0.020 1 32 8 9 LYS HA H 4.290 0.020 1 33 8 9 LYS HB2 H 1.748 0.020 2 34 8 9 LYS HB3 H 1.811 0.020 2 35 8 9 LYS HG2 H 1.432 0.020 2 36 8 9 LYS HG3 H 1.489 0.020 2 37 8 9 LYS HD2 H 1.644 0.020 1 38 8 9 LYS HD3 H 1.644 0.020 1 39 8 9 LYS HE2 H 2.970 0.020 1 40 8 9 LYS HE3 H 2.970 0.020 1 41 8 9 LYS C C 177.015 0.300 1 42 8 9 LYS CA C 56.455 0.300 1 43 8 9 LYS CB C 33.341 0.300 1 44 8 9 LYS CG C 24.808 0.300 1 45 8 9 LYS CD C 28.857 0.300 1 46 8 9 LYS CE C 42.313 0.300 1 47 8 9 LYS N N 121.819 0.300 1 48 9 10 GLU H H 8.313 0.020 1 49 9 10 GLU HA H 4.606 0.020 1 50 9 10 GLU HB2 H 1.908 0.020 1 51 9 10 GLU HB3 H 1.908 0.020 1 52 9 10 GLU HG2 H 2.287 0.020 1 53 9 10 GLU HG3 H 2.287 0.020 1 54 9 10 GLU CA C 54.480 0.300 1 55 9 10 GLU CB C 29.572 0.300 1 56 9 10 GLU CG C 36.183 0.300 1 57 9 10 GLU N N 121.243 0.300 1 58 10 11 PRO HA H 4.335 0.020 1 59 10 11 PRO HB2 H 1.876 0.020 2 60 10 11 PRO HB3 H 2.393 0.020 2 61 10 11 PRO HG2 H 1.654 0.020 2 62 10 11 PRO HG3 H 2.042 0.020 2 63 10 11 PRO HD2 H 3.867 0.020 2 64 10 11 PRO HD3 H 3.631 0.020 2 65 10 11 PRO C C 177.491 0.300 1 66 10 11 PRO CA C 63.587 0.300 1 67 10 11 PRO CB C 32.374 0.300 1 68 10 11 PRO CG C 27.612 0.300 1 69 10 11 PRO CD C 50.835 0.300 1 70 11 12 GLU H H 8.692 0.020 1 71 11 12 GLU HA H 3.686 0.020 1 72 11 12 GLU HB2 H 2.008 0.020 1 73 11 12 GLU HB3 H 2.008 0.020 1 74 11 12 GLU HG2 H 2.130 0.020 1 75 11 12 GLU HG3 H 2.130 0.020 1 76 11 12 GLU C C 177.984 0.300 1 77 11 12 GLU CA C 59.651 0.300 1 78 11 12 GLU CB C 29.819 0.300 1 79 11 12 GLU CG C 36.575 0.300 1 80 11 12 GLU N N 123.071 0.300 1 81 12 13 GLN H H 8.647 0.020 1 82 12 13 GLN HA H 3.979 0.020 1 83 12 13 GLN HB2 H 2.002 0.020 1 84 12 13 GLN HB3 H 2.002 0.020 1 85 12 13 GLN HG2 H 2.323 0.020 2 86 12 13 GLN HG3 H 2.381 0.020 2 87 12 13 GLN HE21 H 6.838 0.020 2 88 12 13 GLN HE22 H 7.478 0.020 2 89 12 13 GLN C C 177.579 0.300 1 90 12 13 GLN CA C 58.526 0.300 1 91 12 13 GLN CB C 28.112 0.300 1 92 12 13 GLN CG C 33.686 0.300 1 93 12 13 GLN N N 116.079 0.300 1 94 12 13 GLN NE2 N 111.565 0.300 1 95 13 14 LEU H H 7.471 0.020 1 96 13 14 LEU HA H 4.264 0.020 1 97 13 14 LEU HB2 H 1.688 0.020 2 98 13 14 LEU HB3 H 1.643 0.020 2 99 13 14 LEU HG H 1.637 0.020 1 100 13 14 LEU HD1 H 0.943 0.020 2 101 13 14 LEU HD2 H 0.859 0.020 2 102 13 14 LEU C C 177.080 0.300 1 103 13 14 LEU CA C 55.945 0.300 1 104 13 14 LEU CB C 42.317 0.300 1 105 13 14 LEU CG C 27.632 0.300 1 106 13 14 LEU CD1 C 25.337 0.300 1 107 13 14 LEU CD2 C 22.930 0.300 1 108 13 14 LEU N N 116.530 0.300 1 109 14 15 ARG H H 7.576 0.020 1 110 14 15 ARG HA H 4.417 0.020 1 111 14 15 ARG HB2 H 1.042 0.020 2 112 14 15 ARG HB3 H 1.395 0.020 2 113 14 15 ARG HG2 H 1.543 0.020 2 114 14 15 ARG HG3 H 2.564 0.020 2 115 14 15 ARG HD2 H 2.896 0.020 2 116 14 15 ARG HD3 H 3.072 0.020 2 117 14 15 ARG HE H 6.936 0.020 1 118 14 15 ARG C C 172.996 0.300 1 119 14 15 ARG CA C 56.067 0.300 1 120 14 15 ARG CB C 29.944 0.300 1 121 14 15 ARG CG C 31.052 0.300 1 122 14 15 ARG CD C 43.816 0.300 1 123 14 15 ARG N N 116.981 0.300 1 124 14 15 ARG NE N 85.131 0.300 1 125 15 16 LYS H H 6.946 0.020 1 126 15 16 LYS HA H 5.198 0.020 1 127 15 16 LYS HB2 H 1.652 0.020 1 128 15 16 LYS HB3 H 1.652 0.020 1 129 15 16 LYS HG2 H 1.437 0.020 2 130 15 16 LYS HG3 H 1.097 0.020 2 131 15 16 LYS HD2 H 1.244 0.020 2 132 15 16 LYS HD3 H 1.270 0.020 2 133 15 16 LYS HE2 H 2.373 0.020 1 134 15 16 LYS HE3 H 2.373 0.020 1 135 15 16 LYS CA C 55.301 0.300 1 136 15 16 LYS CB C 35.888 0.300 1 137 15 16 LYS CG C 24.508 0.300 1 138 15 16 LYS CD C 29.524 0.300 1 139 15 16 LYS CE C 41.361 0.300 1 140 15 16 LYS N N 119.990 0.300 1 141 16 17 LEU H H 9.605 0.020 1 142 16 17 LEU HA H 5.016 0.020 1 143 16 17 LEU HB2 H 1.099 0.020 2 144 16 17 LEU HB3 H 1.524 0.020 2 145 16 17 LEU HG H 1.560 0.020 1 146 16 17 LEU HD1 H 0.765 0.020 2 147 16 17 LEU HD2 H 0.720 0.020 2 148 16 17 LEU C C 176.309 0.300 1 149 16 17 LEU CA C 53.334 0.300 1 150 16 17 LEU CB C 45.062 0.300 1 151 16 17 LEU CG C 26.526 0.300 1 152 16 17 LEU CD1 C 24.718 0.300 1 153 16 17 LEU CD2 C 25.162 0.300 1 154 16 17 LEU N N 126.081 0.300 1 155 17 18 PHE H H 9.023 0.020 1 156 17 18 PHE HA H 4.585 0.020 1 157 17 18 PHE HB2 H 2.923 0.020 2 158 17 18 PHE HB3 H 3.012 0.020 2 159 17 18 PHE HD1 H 6.933 0.020 1 160 17 18 PHE HD2 H 6.933 0.020 1 161 17 18 PHE HE1 H 7.467 0.020 1 162 17 18 PHE HE2 H 7.467 0.020 1 163 17 18 PHE C C 174.362 0.300 1 164 17 18 PHE CA C 57.153 0.300 1 165 17 18 PHE CB C 40.603 0.300 1 166 17 18 PHE CD1 C 131.560 0.300 1 167 17 18 PHE CD2 C 131.560 0.300 1 168 17 18 PHE CE1 C 131.468 0.300 1 169 17 18 PHE CE2 C 131.468 0.300 1 170 17 18 PHE N N 123.569 0.300 1 171 18 19 ILE H H 8.486 0.020 1 172 18 19 ILE HA H 4.029 0.020 1 173 18 19 ILE HB H 1.509 0.020 1 174 18 19 ILE HG12 H 0.951 0.020 2 175 18 19 ILE HG13 H 0.808 0.020 2 176 18 19 ILE HG2 H 0.591 0.020 1 177 18 19 ILE HD1 H 0.126 0.020 1 178 18 19 ILE C C 173.832 0.300 1 179 18 19 ILE CA C 59.156 0.300 1 180 18 19 ILE CB C 36.909 0.300 1 181 18 19 ILE CG1 C 26.405 0.300 1 182 18 19 ILE CG2 C 19.521 0.300 1 183 18 19 ILE CD1 C 12.290 0.300 1 184 18 19 ILE N N 126.932 0.300 1 185 19 20 GLY H H 7.948 0.020 1 186 19 20 GLY HA2 H 3.761 0.020 2 187 19 20 GLY HA3 H 4.446 0.020 2 188 19 20 GLY C C 174.426 0.300 1 189 19 20 GLY CA C 43.611 0.300 1 190 19 20 GLY N N 112.953 0.300 1 191 20 21 GLY H H 8.542 0.020 1 192 20 21 GLY HA2 H 3.941 0.020 2 193 20 21 GLY HA3 H 3.770 0.020 2 194 20 21 GLY C C 175.563 0.300 1 195 20 21 GLY CA C 46.530 0.300 1 196 20 21 GLY N N 107.584 0.300 1 197 21 22 LEU H H 7.472 0.020 1 198 21 22 LEU HA H 4.025 0.020 1 199 21 22 LEU HB2 H 1.280 0.020 2 200 21 22 LEU HB3 H 0.921 0.020 2 201 21 22 LEU HG H 1.299 0.020 1 202 21 22 LEU HD1 H 0.623 0.020 2 203 21 22 LEU HD2 H 0.457 0.020 2 204 21 22 LEU C C 179.121 0.300 1 205 21 22 LEU CA C 54.192 0.300 1 206 21 22 LEU CB C 42.892 0.300 1 207 21 22 LEU CG C 26.945 0.300 1 208 21 22 LEU CD1 C 23.843 0.300 1 209 21 22 LEU CD2 C 26.565 0.300 1 210 21 22 LEU N N 115.232 0.300 1 211 22 23 SER H H 9.136 0.020 1 212 22 23 SER HA H 4.125 0.020 1 213 22 23 SER HB2 H 3.915 0.020 2 214 22 23 SER HB3 H 3.976 0.020 2 215 22 23 SER C C 177.842 0.300 1 216 22 23 SER CA C 57.635 0.300 1 217 22 23 SER CB C 63.106 0.300 1 218 22 23 SER N N 114.737 0.300 1 219 23 24 PHE H H 9.034 0.020 1 220 23 24 PHE HA H 4.307 0.020 1 221 23 24 PHE HB2 H 3.062 0.020 2 222 23 24 PHE HB3 H 3.312 0.020 2 223 23 24 PHE HD1 H 7.236 0.020 1 224 23 24 PHE HD2 H 7.236 0.020 1 225 23 24 PHE HE1 H 7.261 0.020 1 226 23 24 PHE HE2 H 7.261 0.020 1 227 23 24 PHE C C 175.626 0.300 1 228 23 24 PHE CA C 60.205 0.300 1 229 23 24 PHE CB C 37.570 0.300 1 230 23 24 PHE CD1 C 131.137 0.300 1 231 23 24 PHE CD2 C 131.137 0.300 1 232 23 24 PHE CE1 C 131.883 0.300 1 233 23 24 PHE CE2 C 131.883 0.300 1 234 23 24 PHE N N 128.194 0.300 1 235 24 25 GLU H H 8.295 0.020 1 236 24 25 GLU HA H 4.255 0.020 1 237 24 25 GLU HB2 H 2.112 0.020 2 238 24 25 GLU HB3 H 1.800 0.020 2 239 24 25 GLU HG2 H 2.189 0.020 2 240 24 25 GLU HG3 H 2.159 0.020 2 241 24 25 GLU C C 177.429 0.300 1 242 24 25 GLU CA C 56.522 0.300 1 243 24 25 GLU CB C 29.980 0.300 1 244 24 25 GLU CG C 36.700 0.300 1 245 24 25 GLU N N 116.093 0.300 1 246 25 26 THR H H 7.280 0.020 1 247 25 26 THR HA H 4.091 0.020 1 248 25 26 THR HB H 3.965 0.020 1 249 25 26 THR HG2 H 1.170 0.020 1 250 25 26 THR C C 174.238 0.300 1 251 25 26 THR CA C 64.862 0.300 1 252 25 26 THR CB C 68.584 0.300 1 253 25 26 THR CG2 C 23.581 0.300 1 254 25 26 THR N N 118.836 0.300 1 255 26 27 THR H H 8.447 0.020 1 256 26 27 THR HA H 4.484 0.020 1 257 26 27 THR HB H 4.745 0.020 1 258 26 27 THR HG2 H 1.295 0.020 1 259 26 27 THR C C 174.563 0.300 1 260 26 27 THR CA C 59.361 0.300 1 261 26 27 THR CB C 72.727 0.300 1 262 26 27 THR CG2 C 21.761 0.300 1 263 26 27 THR N N 119.434 0.300 1 264 27 28 ASP H H 8.794 0.020 1 265 27 28 ASP HA H 3.920 0.020 1 266 27 28 ASP HB2 H 2.598 0.020 2 267 27 28 ASP HB3 H 2.741 0.020 2 268 27 28 ASP C C 178.347 0.300 1 269 27 28 ASP CA C 58.148 0.300 1 270 27 28 ASP CB C 39.954 0.300 1 271 27 28 ASP N N 120.342 0.300 1 272 28 29 GLU H H 8.444 0.020 1 273 28 29 GLU HA H 3.993 0.020 1 274 28 29 GLU HB2 H 2.079 0.020 2 275 28 29 GLU HB3 H 1.933 0.020 2 276 28 29 GLU HG2 H 2.260 0.020 2 277 28 29 GLU HG3 H 2.425 0.020 2 278 28 29 GLU C C 178.987 0.300 1 279 28 29 GLU CA C 60.281 0.300 1 280 28 29 GLU CB C 29.193 0.300 1 281 28 29 GLU CG C 37.145 0.300 1 282 28 29 GLU N N 116.494 0.300 1 283 29 30 SER H H 8.384 0.020 1 284 29 30 SER HA H 4.333 0.020 1 285 29 30 SER C C 178.125 0.300 1 286 29 30 SER CA C 61.720 0.300 1 287 29 30 SER N N 120.532 0.300 1 288 30 31 LEU H H 8.487 0.020 1 289 30 31 LEU HA H 4.080 0.020 1 290 30 31 LEU HB2 H 1.141 0.020 2 291 30 31 LEU HB3 H 1.686 0.020 2 292 30 31 LEU HG H 1.496 0.020 1 293 30 31 LEU HD1 H 0.551 0.020 2 294 30 31 LEU HD2 H 0.934 0.020 2 295 30 31 LEU C C 178.341 0.300 1 296 30 31 LEU CA C 58.073 0.300 1 297 30 31 LEU CB C 42.524 0.300 1 298 30 31 LEU CG C 26.600 0.300 1 299 30 31 LEU CD1 C 26.057 0.300 1 300 30 31 LEU CD2 C 25.212 0.300 1 301 30 31 LEU N N 126.754 0.300 1 302 31 32 ARG H H 7.980 0.020 1 303 31 32 ARG HA H 3.863 0.020 1 304 31 32 ARG HB2 H 2.221 0.020 2 305 31 32 ARG HB3 H 1.882 0.020 2 306 31 32 ARG HG2 H 1.464 0.020 2 307 31 32 ARG HG3 H 1.397 0.020 2 308 31 32 ARG HD2 H 3.402 0.020 2 309 31 32 ARG HD3 H 3.068 0.020 2 310 31 32 ARG HE H 7.690 0.020 1 311 31 32 ARG C C 177.765 0.300 1 312 31 32 ARG CA C 59.706 0.300 1 313 31 32 ARG CB C 30.648 0.300 1 314 31 32 ARG CG C 28.015 0.300 1 315 31 32 ARG CD C 43.493 0.300 1 316 31 32 ARG N N 121.192 0.300 1 317 31 32 ARG NE N 84.367 0.300 1 318 32 33 SER H H 8.295 0.020 1 319 32 33 SER HA H 4.104 0.020 1 320 32 33 SER HB2 H 3.913 0.020 2 321 32 33 SER HB3 H 3.950 0.020 2 322 32 33 SER C C 176.416 0.300 1 323 32 33 SER CA C 61.437 0.300 1 324 32 33 SER CB C 62.933 0.300 1 325 32 33 SER N N 112.868 0.300 1 326 33 34 HIS H H 7.406 0.020 1 327 33 34 HIS HA H 4.346 0.020 1 328 33 34 HIS HB2 H 3.035 0.020 2 329 33 34 HIS HB3 H 3.125 0.020 2 330 33 34 HIS HD2 H 6.857 0.020 1 331 33 34 HIS HE1 H 8.294 0.020 1 332 33 34 HIS C C 177.510 0.300 1 333 33 34 HIS CA C 60.373 0.300 1 334 33 34 HIS CB C 30.776 0.300 1 335 33 34 HIS CD2 C 121.234 0.300 1 336 33 34 HIS CE1 C 138.680 0.300 1 337 33 34 HIS N N 115.910 0.300 1 338 33 34 HIS ND1 N 227.882 0.300 1 339 33 34 HIS NE2 N 181.237 0.300 1 340 34 35 PHE H H 8.227 0.020 1 341 34 35 PHE HA H 4.526 0.020 1 342 34 35 PHE HB2 H 2.805 0.020 2 343 34 35 PHE HB3 H 3.631 0.020 2 344 34 35 PHE HD1 H 7.806 0.020 1 345 34 35 PHE HD2 H 7.806 0.020 1 346 34 35 PHE HE1 H 6.416 0.020 1 347 34 35 PHE HE2 H 6.416 0.020 1 348 34 35 PHE HZ H 6.420 0.020 1 349 34 35 PHE C C 179.061 0.300 1 350 34 35 PHE CA C 64.104 0.300 1 351 34 35 PHE CB C 38.379 0.300 1 352 34 35 PHE CD1 C 132.394 0.300 1 353 34 35 PHE CD2 C 132.394 0.300 1 354 34 35 PHE CE1 C 130.525 0.300 1 355 34 35 PHE CE2 C 130.525 0.300 1 356 34 35 PHE CZ C 128.233 0.300 1 357 34 35 PHE N N 113.562 0.300 1 358 35 36 GLU H H 9.219 0.020 1 359 35 36 GLU HA H 4.962 0.020 1 360 35 36 GLU HB2 H 2.130 0.020 2 361 35 36 GLU HB3 H 2.226 0.020 2 362 35 36 GLU HG2 H 2.414 0.020 2 363 35 36 GLU HG3 H 2.537 0.020 2 364 35 36 GLU C C 176.476 0.300 1 365 35 36 GLU CA C 57.950 0.300 1 366 35 36 GLU CB C 28.690 0.300 1 367 35 36 GLU CG C 37.058 0.300 1 368 35 36 GLU N N 124.490 0.300 1 369 36 37 GLN H H 7.011 0.020 1 370 36 37 GLN HA H 3.706 0.020 1 371 36 37 GLN HB2 H 0.492 0.020 2 372 36 37 GLN HB3 H 0.702 0.020 2 373 36 37 GLN HG2 H 2.043 0.020 2 374 36 37 GLN HG3 H 1.579 0.020 2 375 36 37 GLN HE21 H 7.024 0.020 2 376 36 37 GLN HE22 H 6.604 0.020 2 377 36 37 GLN C C 176.486 0.300 1 378 36 37 GLN CA C 58.206 0.300 1 379 36 37 GLN CB C 27.731 0.300 1 380 36 37 GLN CG C 34.865 0.300 1 381 36 37 GLN N N 116.596 0.300 1 382 36 37 GLN NE2 N 112.041 0.300 1 383 37 38 TRP H H 7.017 0.020 1 384 37 38 TRP HA H 4.481 0.020 1 385 37 38 TRP HB2 H 3.556 0.020 2 386 37 38 TRP HB3 H 3.024 0.020 2 387 37 38 TRP HD1 H 7.113 0.020 1 388 37 38 TRP HE1 H 10.050 0.020 1 389 37 38 TRP HE3 H 7.561 0.020 1 390 37 38 TRP HZ2 H 7.312 0.020 1 391 37 38 TRP HZ3 H 6.075 0.020 1 392 37 38 TRP HH2 H 6.808 0.020 1 393 37 38 TRP C C 173.662 0.300 1 394 37 38 TRP CA C 61.557 0.300 1 395 37 38 TRP CB C 29.074 0.300 1 396 37 38 TRP CD1 C 126.111 0.300 1 397 37 38 TRP CE3 C 119.114 0.300 1 398 37 38 TRP CZ2 C 115.194 0.300 1 399 37 38 TRP CZ3 C 123.082 0.300 1 400 37 38 TRP CH2 C 124.270 0.300 1 401 37 38 TRP N N 114.690 0.300 1 402 37 38 TRP NE1 N 130.770 0.300 1 403 38 39 GLY H H 7.294 0.020 1 404 38 39 GLY HA2 H 3.937 0.020 2 405 38 39 GLY HA3 H 4.562 0.020 2 406 38 39 GLY C C 171.596 0.300 1 407 38 39 GLY CA C 45.545 0.300 1 408 38 39 GLY N N 105.060 0.300 1 409 39 40 THR H H 8.770 0.020 1 410 39 40 THR HA H 4.231 0.020 1 411 39 40 THR HB H 4.175 0.020 1 412 39 40 THR HG2 H 1.124 0.020 1 413 39 40 THR C C 173.760 0.300 1 414 39 40 THR CA C 62.904 0.300 1 415 39 40 THR CB C 69.813 0.300 1 416 39 40 THR CG2 C 21.503 0.300 1 417 39 40 THR N N 117.179 0.300 1 418 40 41 LEU H H 8.831 0.020 1 419 40 41 LEU HA H 4.943 0.020 1 420 40 41 LEU HB2 H 1.102 0.020 2 421 40 41 LEU HB3 H 1.640 0.020 2 422 40 41 LEU HG H 1.504 0.020 1 423 40 41 LEU HD1 H 0.794 0.020 2 424 40 41 LEU HD2 H 0.095 0.020 2 425 40 41 LEU C C 178.358 0.300 1 426 40 41 LEU CA C 52.969 0.300 1 427 40 41 LEU CB C 41.893 0.300 1 428 40 41 LEU CG C 26.743 0.300 1 429 40 41 LEU CD1 C 28.059 0.300 1 430 40 41 LEU CD2 C 24.488 0.300 1 431 40 41 LEU N N 126.702 0.300 1 432 41 42 THR H H 8.926 0.020 1 433 41 42 THR HA H 4.197 0.020 1 434 41 42 THR HB H 4.187 0.020 1 435 41 42 THR HG2 H 0.984 0.020 1 436 41 42 THR C C 175.050 0.300 1 437 41 42 THR CA C 62.668 0.300 1 438 41 42 THR CB C 67.618 0.300 1 439 41 42 THR CG2 C 21.413 0.300 1 440 41 42 THR N N 117.175 0.300 1 441 42 43 ASP H H 7.513 0.020 1 442 42 43 ASP HA H 4.620 0.020 1 443 42 43 ASP HB2 H 2.372 0.020 2 444 42 43 ASP HB3 H 2.580 0.020 2 445 42 43 ASP C C 174.637 0.300 1 446 42 43 ASP CA C 54.235 0.300 1 447 42 43 ASP CB C 44.253 0.300 1 448 42 43 ASP N N 118.764 0.300 1 449 43 44 CYS H H 8.436 0.020 1 450 43 44 CYS HA H 4.842 0.020 1 451 43 44 CYS HB2 H 2.644 0.020 2 452 43 44 CYS HB3 H 2.765 0.020 2 453 43 44 CYS HG H 1.943 0.020 1 454 43 44 CYS C C 171.885 0.300 1 455 43 44 CYS CA C 59.376 0.300 1 456 43 44 CYS CB C 26.377 0.300 1 457 43 44 CYS N N 123.632 0.300 1 458 44 45 VAL H H 8.737 0.020 1 459 44 45 VAL HA H 4.576 0.020 1 460 44 45 VAL HB H 1.767 0.020 1 461 44 45 VAL HG1 H 0.846 0.020 2 462 44 45 VAL HG2 H 0.843 0.020 2 463 44 45 VAL C C 173.371 0.300 1 464 44 45 VAL CA C 60.151 0.300 1 465 44 45 VAL CB C 36.424 0.300 1 466 44 45 VAL CG1 C 20.706 0.300 1 467 44 45 VAL CG2 C 21.296 0.300 1 468 44 45 VAL N N 126.787 0.300 1 469 45 46 VAL H H 8.269 0.020 1 470 45 46 VAL HA H 3.711 0.020 1 471 45 46 VAL HB H 1.782 0.020 1 472 45 46 VAL HG1 H 0.660 0.020 2 473 45 46 VAL HG2 H 0.524 0.020 2 474 45 46 VAL C C 176.674 0.300 1 475 45 46 VAL CA C 62.509 0.300 1 476 45 46 VAL CB C 33.175 0.300 1 477 45 46 VAL CG1 C 20.569 0.300 1 478 45 46 VAL CG2 C 22.557 0.300 1 479 45 46 VAL N N 125.522 0.300 1 480 46 47 MET H H 8.445 0.020 1 481 46 47 MET HA H 4.441 0.020 1 482 46 47 MET HB2 H 1.412 0.020 2 483 46 47 MET HB3 H 1.036 0.020 2 484 46 47 MET HG2 H 2.527 0.020 2 485 46 47 MET HG3 H 2.240 0.020 2 486 46 47 MET HE H 2.165 0.020 1 487 46 47 MET C C 175.413 0.300 1 488 46 47 MET CA C 54.852 0.300 1 489 46 47 MET CB C 30.454 0.300 1 490 46 47 MET CG C 33.196 0.300 1 491 46 47 MET CE C 17.294 0.300 1 492 46 47 MET N N 126.833 0.300 1 493 47 48 ARG H H 8.308 0.020 1 494 47 48 ARG HA H 4.838 0.020 1 495 47 48 ARG HB2 H 1.181 0.020 2 496 47 48 ARG HB3 H 1.383 0.020 2 497 47 48 ARG HG2 H 1.464 0.020 2 498 47 48 ARG HG3 H 1.174 0.020 2 499 47 48 ARG HD2 H 3.025 0.020 2 500 47 48 ARG HD3 H 3.163 0.020 2 501 47 48 ARG CA C 54.308 0.300 1 502 47 48 ARG CB C 34.048 0.300 1 503 47 48 ARG CG C 27.878 0.300 1 504 47 48 ARG CD C 42.653 0.300 1 505 47 48 ARG N N 120.697 0.300 1 506 48 49 ASP H H 8.577 0.020 1 507 48 49 ASP HA H 4.686 0.020 1 508 48 49 ASP HB2 H 2.515 0.020 2 509 48 49 ASP HB3 H 2.992 0.020 2 510 48 49 ASP C C 176.046 0.300 1 511 48 49 ASP CA C 52.106 0.300 1 512 48 49 ASP CB C 42.878 0.300 1 513 48 49 ASP N N 125.146 0.300 1 514 49 50 PRO HA H 4.310 0.020 1 515 49 50 PRO HB2 H 2.302 0.020 2 516 49 50 PRO HB3 H 1.931 0.020 2 517 49 50 PRO HG2 H 2.056 0.020 2 518 49 50 PRO HG3 H 1.984 0.020 2 519 49 50 PRO HD2 H 3.923 0.020 2 520 49 50 PRO HD3 H 3.814 0.020 2 521 49 50 PRO C C 177.166 0.300 1 522 49 50 PRO CA C 64.584 0.300 1 523 49 50 PRO CB C 32.136 0.300 1 524 49 50 PRO CG C 27.209 0.300 1 525 49 50 PRO CD C 50.977 0.300 1 526 50 51 ASN H H 8.560 0.020 1 527 50 51 ASN HA H 4.723 0.020 1 528 50 51 ASN HB2 H 2.808 0.020 2 529 50 51 ASN HB3 H 2.942 0.020 2 530 50 51 ASN HD21 H 7.026 0.020 2 531 50 51 ASN HD22 H 7.887 0.020 2 532 50 51 ASN C C 176.642 0.300 1 533 50 51 ASN CA C 55.444 0.300 1 534 50 51 ASN CB C 39.455 0.300 1 535 50 51 ASN N N 115.474 0.300 1 536 50 51 ASN ND2 N 114.734 0.300 1 537 51 52 THR H H 8.277 0.020 1 538 51 52 THR HA H 4.264 0.020 1 539 51 52 THR HB H 4.309 0.020 1 540 51 52 THR HG2 H 1.366 0.020 1 541 51 52 THR C C 176.018 0.300 1 542 51 52 THR CA C 62.063 0.300 1 543 51 52 THR CB C 70.768 0.300 1 544 51 52 THR CG2 C 19.036 0.300 1 545 51 52 THR N N 108.788 0.300 1 546 52 53 LYS H H 8.091 0.020 1 547 52 53 LYS HA H 3.917 0.020 1 548 52 53 LYS HB2 H 2.189 0.020 2 549 52 53 LYS HB3 H 2.037 0.020 2 550 52 53 LYS HG2 H 1.336 0.020 2 551 52 53 LYS HG3 H 1.244 0.020 2 552 52 53 LYS HD2 H 1.591 0.020 2 553 52 53 LYS HD3 H 1.531 0.020 2 554 52 53 LYS HE2 H 2.968 0.020 1 555 52 53 LYS HE3 H 2.968 0.020 1 556 52 53 LYS C C 175.376 0.300 1 557 52 53 LYS CA C 57.902 0.300 1 558 52 53 LYS CB C 29.293 0.300 1 559 52 53 LYS CG C 25.196 0.300 1 560 52 53 LYS CD C 28.698 0.300 1 561 52 53 LYS CE C 42.525 0.300 1 562 52 53 LYS N N 114.615 0.300 1 563 53 54 ARG H H 7.847 0.020 1 564 53 54 ARG HA H 4.169 0.020 1 565 53 54 ARG HB2 H 1.603 0.020 2 566 53 54 ARG HB3 H 1.774 0.020 2 567 53 54 ARG HG2 H 1.641 0.020 1 568 53 54 ARG HG3 H 1.641 0.020 1 569 53 54 ARG HD2 H 3.097 0.020 1 570 53 54 ARG HD3 H 3.097 0.020 1 571 53 54 ARG C C 176.619 0.300 1 572 53 54 ARG CA C 56.233 0.300 1 573 53 54 ARG CB C 31.045 0.300 1 574 53 54 ARG CG C 27.626 0.300 1 575 53 54 ARG CD C 43.222 0.300 1 576 53 54 ARG N N 120.395 0.300 1 577 54 55 SER H H 8.810 0.020 1 578 54 55 SER HA H 4.186 0.020 1 579 54 55 SER HB2 H 3.807 0.020 2 580 54 55 SER HB3 H 4.006 0.020 2 581 54 55 SER C C 175.755 0.300 1 582 54 55 SER CA C 58.559 0.300 1 583 54 55 SER CB C 63.922 0.300 1 584 54 55 SER N N 116.987 0.300 1 585 55 56 ARG H H 8.976 0.020 1 586 55 56 ARG HA H 4.403 0.020 1 587 55 56 ARG HB2 H 0.897 0.020 2 588 55 56 ARG HB3 H 2.206 0.020 2 589 55 56 ARG HG2 H 1.448 0.020 2 590 55 56 ARG HG3 H 1.632 0.020 2 591 55 56 ARG HD2 H 3.071 0.020 2 592 55 56 ARG HD3 H 2.896 0.020 2 593 55 56 ARG C C 177.962 0.300 1 594 55 56 ARG CA C 56.096 0.300 1 595 55 56 ARG CB C 31.294 0.300 1 596 55 56 ARG CG C 27.623 0.300 1 597 55 56 ARG CD C 43.787 0.300 1 598 55 56 ARG N N 123.427 0.300 1 599 56 57 GLY H H 9.375 0.020 1 600 56 57 GLY HA2 H 4.100 0.020 2 601 56 57 GLY HA3 H 3.105 0.020 2 602 56 57 GLY C C 171.856 0.300 1 603 56 57 GLY CA C 45.669 0.300 1 604 56 57 GLY N N 107.308 0.300 1 605 57 58 PHE H H 7.044 0.020 1 606 57 58 PHE HA H 5.201 0.020 1 607 57 58 PHE HB2 H 3.163 0.020 2 608 57 58 PHE HB3 H 2.713 0.020 2 609 57 58 PHE HD1 H 6.805 0.020 1 610 57 58 PHE HD2 H 6.805 0.020 1 611 57 58 PHE HE1 H 7.342 0.020 1 612 57 58 PHE HE2 H 7.342 0.020 1 613 57 58 PHE HZ H 7.276 0.020 1 614 57 58 PHE C C 172.646 0.300 1 615 57 58 PHE CA C 54.918 0.300 1 616 57 58 PHE CB C 41.743 0.300 1 617 57 58 PHE CD1 C 132.952 0.300 1 618 57 58 PHE CD2 C 132.952 0.300 1 619 57 58 PHE CE1 C 131.275 0.300 1 620 57 58 PHE CE2 C 131.275 0.300 1 621 57 58 PHE CZ C 129.514 0.300 1 622 57 58 PHE N N 112.537 0.300 1 623 58 59 GLY H H 8.345 0.020 1 624 58 59 GLY HA2 H 3.917 0.020 2 625 58 59 GLY HA3 H 4.152 0.020 2 626 58 59 GLY C C 169.931 0.300 1 627 58 59 GLY CA C 45.304 0.300 1 628 58 59 GLY N N 106.816 0.300 1 629 59 60 PHE H H 8.903 0.020 1 630 59 60 PHE HA H 5.645 0.020 1 631 59 60 PHE HB2 H 2.568 0.020 2 632 59 60 PHE HB3 H 2.849 0.020 2 633 59 60 PHE HD1 H 7.037 0.020 1 634 59 60 PHE HD2 H 7.037 0.020 1 635 59 60 PHE HE1 H 7.468 0.020 1 636 59 60 PHE HE2 H 7.468 0.020 1 637 59 60 PHE HZ H 7.473 0.020 1 638 59 60 PHE C C 174.929 0.300 1 639 59 60 PHE CA C 56.541 0.300 1 640 59 60 PHE CB C 43.984 0.300 1 641 59 60 PHE CD1 C 132.146 0.300 1 642 59 60 PHE CD2 C 132.146 0.300 1 643 59 60 PHE CE1 C 131.503 0.300 1 644 59 60 PHE CE2 C 131.503 0.300 1 645 59 60 PHE CZ C 130.064 0.300 1 646 59 60 PHE N N 115.179 0.300 1 647 60 61 VAL H H 8.569 0.020 1 648 60 61 VAL HA H 4.540 0.020 1 649 60 61 VAL HB H 1.685 0.020 1 650 60 61 VAL HG1 H 0.497 0.020 2 651 60 61 VAL HG2 H 0.279 0.020 2 652 60 61 VAL C C 173.246 0.300 1 653 60 61 VAL CA C 59.421 0.300 1 654 60 61 VAL CB C 34.678 0.300 1 655 60 61 VAL CG1 C 22.129 0.300 1 656 60 61 VAL CG2 C 20.017 0.300 1 657 60 61 VAL N N 115.310 0.300 1 658 61 62 THR H H 8.180 0.020 1 659 61 62 THR HA H 5.068 0.020 1 660 61 62 THR HB H 3.741 0.020 1 661 61 62 THR HG2 H 1.039 0.020 1 662 61 62 THR C C 173.985 0.300 1 663 61 62 THR CA C 61.033 0.300 1 664 61 62 THR CB C 70.114 0.300 1 665 61 62 THR CG2 C 22.543 0.300 1 666 61 62 THR N N 120.158 0.300 1 667 62 63 TYR H H 8.407 0.020 1 668 62 63 TYR HA H 5.357 0.020 1 669 62 63 TYR HB2 H 2.772 0.020 2 670 62 63 TYR HB3 H 3.732 0.020 2 671 62 63 TYR HD1 H 6.913 0.020 1 672 62 63 TYR HD2 H 6.913 0.020 1 673 62 63 TYR HE1 H 6.439 0.020 1 674 62 63 TYR HE2 H 6.439 0.020 1 675 62 63 TYR HH H 9.283 0.020 1 676 62 63 TYR C C 176.696 0.300 1 677 62 63 TYR CA C 58.297 0.300 1 678 62 63 TYR CB C 42.217 0.300 1 679 62 63 TYR CD1 C 133.128 0.300 1 680 62 63 TYR CD2 C 133.128 0.300 1 681 62 63 TYR CE1 C 117.890 0.300 1 682 62 63 TYR CE2 C 117.890 0.300 1 683 62 63 TYR N N 125.280 0.300 1 684 63 64 ALA H H 8.749 0.020 1 685 63 64 ALA HA H 4.052 0.020 1 686 63 64 ALA HB H 1.658 0.020 1 687 63 64 ALA C C 178.252 0.300 1 688 63 64 ALA CA C 55.269 0.300 1 689 63 64 ALA CB C 19.068 0.300 1 690 63 64 ALA N N 121.648 0.300 1 691 64 65 THR H H 7.992 0.020 1 692 64 65 THR HA H 4.902 0.020 1 693 64 65 THR HB H 4.695 0.020 1 694 64 65 THR HG2 H 1.200 0.020 1 695 64 65 THR C C 174.667 0.300 1 696 64 65 THR CA C 59.184 0.300 1 697 64 65 THR CB C 73.193 0.300 1 698 64 65 THR CG2 C 21.729 0.300 1 699 64 65 THR N N 105.238 0.300 1 700 65 66 VAL H H 8.968 0.020 1 701 65 66 VAL HA H 3.670 0.020 1 702 65 66 VAL HB H 2.019 0.020 1 703 65 66 VAL HG1 H 0.919 0.020 2 704 65 66 VAL HG2 H 0.917 0.020 2 705 65 66 VAL C C 177.446 0.300 1 706 65 66 VAL CA C 65.535 0.300 1 707 65 66 VAL CB C 31.538 0.300 1 708 65 66 VAL CG1 C 22.693 0.300 1 709 65 66 VAL CG2 C 21.736 0.300 1 710 65 66 VAL N N 120.939 0.300 1 711 66 67 GLU H H 8.686 0.020 1 712 66 67 GLU HA H 4.045 0.020 1 713 66 67 GLU HB2 H 1.947 0.020 2 714 66 67 GLU HB3 H 2.076 0.020 2 715 66 67 GLU HG2 H 2.419 0.020 2 716 66 67 GLU HG3 H 2.304 0.020 2 717 66 67 GLU C C 180.056 0.300 1 718 66 67 GLU CA C 60.430 0.300 1 719 66 67 GLU CB C 28.909 0.300 1 720 66 67 GLU CG C 37.181 0.300 1 721 66 67 GLU N N 120.818 0.300 1 722 67 68 GLU H H 7.487 0.020 1 723 67 68 GLU HA H 3.853 0.020 1 724 67 68 GLU HB2 H 1.747 0.020 2 725 67 68 GLU HB3 H 2.254 0.020 2 726 67 68 GLU HG2 H 2.275 0.020 2 727 67 68 GLU HG3 H 2.655 0.020 2 728 67 68 GLU C C 177.040 0.300 1 729 67 68 GLU CA C 59.391 0.300 1 730 67 68 GLU CB C 29.590 0.300 1 731 67 68 GLU CG C 38.028 0.300 1 732 67 68 GLU N N 120.729 0.300 1 733 68 69 VAL H H 6.882 0.020 1 734 68 69 VAL HA H 3.165 0.020 1 735 68 69 VAL HB H 2.407 0.020 1 736 68 69 VAL HG1 H 0.972 0.020 2 737 68 69 VAL HG2 H 1.228 0.020 2 738 68 69 VAL C C 178.293 0.300 1 739 68 69 VAL CA C 66.391 0.300 1 740 68 69 VAL CB C 31.092 0.300 1 741 68 69 VAL CG1 C 22.082 0.300 1 742 68 69 VAL CG2 C 24.378 0.300 1 743 68 69 VAL N N 118.408 0.300 1 744 69 70 ASP H H 8.109 0.020 1 745 69 70 ASP HA H 4.128 0.020 1 746 69 70 ASP HB2 H 2.500 0.020 2 747 69 70 ASP HB3 H 2.738 0.020 2 748 69 70 ASP C C 178.765 0.300 1 749 69 70 ASP CA C 57.394 0.300 1 750 69 70 ASP CB C 39.879 0.300 1 751 69 70 ASP N N 119.356 0.300 1 752 70 71 ALA H H 7.736 0.020 1 753 70 71 ALA HA H 4.070 0.020 1 754 70 71 ALA HB H 1.705 0.020 1 755 70 71 ALA C C 180.518 0.300 1 756 70 71 ALA CA C 55.209 0.300 1 757 70 71 ALA CB C 18.104 0.300 1 758 70 71 ALA N N 123.031 0.300 1 759 71 72 ALA H H 8.101 0.020 1 760 71 72 ALA HA H 3.034 0.020 1 761 71 72 ALA HB H 1.387 0.020 1 762 71 72 ALA C C 182.248 0.300 1 763 71 72 ALA CA C 55.251 0.300 1 764 71 72 ALA CB C 17.976 0.300 1 765 71 72 ALA N N 121.446 0.300 1 766 72 73 MET H H 8.681 0.020 1 767 72 73 MET HA H 4.430 0.020 1 768 72 73 MET HB2 H 1.988 0.020 2 769 72 73 MET HB3 H 2.201 0.020 2 770 72 73 MET HG2 H 2.446 0.020 2 771 72 73 MET HG3 H 2.551 0.020 2 772 72 73 MET HE H 2.018 0.020 1 773 72 73 MET C C 179.409 0.300 1 774 72 73 MET CA C 56.379 0.300 1 775 72 73 MET CB C 30.498 0.300 1 776 72 73 MET CG C 33.111 0.300 1 777 72 73 MET CE C 15.985 0.300 1 778 72 73 MET N N 118.027 0.300 1 779 73 74 ASN H H 8.096 0.020 1 780 73 74 ASN HA H 4.627 0.020 1 781 73 74 ASN HB2 H 2.772 0.020 2 782 73 74 ASN HB3 H 2.854 0.020 2 783 73 74 ASN HD21 H 7.507 0.020 2 784 73 74 ASN HD22 H 6.849 0.020 2 785 73 74 ASN C C 175.014 0.300 1 786 73 74 ASN CA C 54.323 0.300 1 787 73 74 ASN CB C 38.468 0.300 1 788 73 74 ASN N N 119.415 0.300 1 789 73 74 ASN ND2 N 112.634 0.300 1 790 74 75 ALA H H 6.966 0.020 1 791 74 75 ALA HA H 4.299 0.020 1 792 74 75 ALA HB H 0.870 0.020 1 793 74 75 ALA C C 175.305 0.300 1 794 74 75 ALA CA C 51.273 0.300 1 795 74 75 ALA CB C 18.922 0.300 1 796 74 75 ALA N N 122.253 0.300 1 797 75 76 ARG H H 6.749 0.020 1 798 75 76 ARG HA H 3.608 0.020 1 799 75 76 ARG HB2 H 1.809 0.020 1 800 75 76 ARG HB3 H 1.809 0.020 1 801 75 76 ARG HG2 H 1.815 0.020 2 802 75 76 ARG HG3 H 1.914 0.020 2 803 75 76 ARG HD2 H 3.344 0.020 1 804 75 76 ARG HD3 H 3.344 0.020 1 805 75 76 ARG CA C 55.086 0.300 1 806 75 76 ARG CB C 30.199 0.300 1 807 75 76 ARG CG C 27.511 0.300 1 808 75 76 ARG CD C 43.695 0.300 1 809 75 76 ARG N N 116.833 0.300 1 810 76 77 PRO HA H 4.434 0.020 1 811 76 77 PRO HB2 H 2.375 0.020 2 812 76 77 PRO HB3 H 1.857 0.020 2 813 76 77 PRO HG2 H 1.899 0.020 1 814 76 77 PRO HG3 H 1.899 0.020 1 815 76 77 PRO HD2 H 3.439 0.020 2 816 76 77 PRO HD3 H 3.564 0.020 2 817 76 77 PRO C C 175.590 0.300 1 818 76 77 PRO CA C 61.614 0.300 1 819 76 77 PRO CB C 34.982 0.300 1 820 76 77 PRO CG C 24.471 0.300 1 821 76 77 PRO CD C 50.532 0.300 1 822 77 78 HIS H H 9.384 0.020 1 823 77 78 HIS HA H 4.559 0.020 1 824 77 78 HIS HB2 H 2.367 0.020 2 825 77 78 HIS HB3 H 2.874 0.020 2 826 77 78 HIS HD2 H 6.734 0.020 1 827 77 78 HIS HE1 H 5.686 0.020 1 828 77 78 HIS C C 173.137 0.300 1 829 77 78 HIS CA C 56.231 0.300 1 830 77 78 HIS CB C 32.909 0.300 1 831 77 78 HIS CD2 C 115.835 0.300 1 832 77 78 HIS CE1 C 139.234 0.300 1 833 77 78 HIS N N 122.039 0.300 1 834 77 78 HIS ND1 N 242.838 0.300 1 835 77 78 HIS NE2 N 163.988 0.300 1 836 78 79 LYS H H 8.485 0.020 1 837 78 79 LYS HA H 4.939 0.020 1 838 78 79 LYS HB2 H 1.603 0.020 2 839 78 79 LYS HB3 H 1.432 0.020 2 840 78 79 LYS HG2 H 0.945 0.020 2 841 78 79 LYS HG3 H 1.024 0.020 2 842 78 79 LYS HD2 H 1.536 0.020 1 843 78 79 LYS HD3 H 1.536 0.020 1 844 78 79 LYS HE2 H 2.775 0.020 1 845 78 79 LYS HE3 H 2.775 0.020 1 846 78 79 LYS C C 174.858 0.300 1 847 78 79 LYS CA C 54.755 0.300 1 848 78 79 LYS CB C 33.475 0.300 1 849 78 79 LYS CG C 25.229 0.300 1 850 78 79 LYS CD C 29.441 0.300 1 851 78 79 LYS CE C 41.736 0.300 1 852 78 79 LYS N N 125.607 0.300 1 853 79 80 VAL H H 8.581 0.020 1 854 79 80 VAL HA H 3.955 0.020 1 855 79 80 VAL HB H 1.706 0.020 1 856 79 80 VAL HG1 H 0.678 0.020 2 857 79 80 VAL HG2 H 0.096 0.020 2 858 79 80 VAL C C 176.295 0.300 1 859 79 80 VAL CA C 60.737 0.300 1 860 79 80 VAL CB C 33.249 0.300 1 861 79 80 VAL CG1 C 21.248 0.300 1 862 79 80 VAL CG2 C 20.566 0.300 1 863 79 80 VAL N N 124.596 0.300 1 864 80 81 ASP H H 9.553 0.020 1 865 80 81 ASP HA H 4.228 0.020 1 866 80 81 ASP HB2 H 2.442 0.020 2 867 80 81 ASP HB3 H 2.760 0.020 2 868 80 81 ASP C C 175.744 0.300 1 869 80 81 ASP CA C 55.882 0.300 1 870 80 81 ASP CB C 39.692 0.300 1 871 80 81 ASP N N 128.668 0.300 1 872 81 82 GLY H H 8.488 0.020 1 873 81 82 GLY HA2 H 4.155 0.020 2 874 81 82 GLY HA3 H 3.443 0.020 2 875 81 82 GLY C C 173.560 0.300 1 876 81 82 GLY CA C 45.445 0.300 1 877 81 82 GLY N N 101.527 0.300 1 878 82 83 ARG H H 7.555 0.020 1 879 82 83 ARG HA H 4.640 0.020 1 880 82 83 ARG HB2 H 1.591 0.020 2 881 82 83 ARG HB3 H 1.790 0.020 2 882 82 83 ARG HG2 H 1.517 0.020 2 883 82 83 ARG HG3 H 1.574 0.020 2 884 82 83 ARG HD2 H 3.153 0.020 1 885 82 83 ARG HD3 H 3.153 0.020 1 886 82 83 ARG C C 174.512 0.300 1 887 82 83 ARG CA C 53.161 0.300 1 888 82 83 ARG CB C 32.507 0.300 1 889 82 83 ARG CG C 26.216 0.300 1 890 82 83 ARG CD C 42.640 0.300 1 891 82 83 ARG N N 120.493 0.300 1 892 83 84 VAL H H 8.633 0.020 1 893 83 84 VAL HA H 4.501 0.020 1 894 83 84 VAL HB H 1.954 0.020 1 895 83 84 VAL HG1 H 0.950 0.020 2 896 83 84 VAL HG2 H 0.904 0.020 2 897 83 84 VAL C C 176.701 0.300 1 898 83 84 VAL CA C 63.290 0.300 1 899 83 84 VAL CB C 30.867 0.300 1 900 83 84 VAL CG1 C 21.623 0.300 1 901 83 84 VAL CG2 C 21.998 0.300 1 902 83 84 VAL N N 124.855 0.300 1 903 84 85 VAL H H 8.391 0.020 1 904 84 85 VAL HA H 4.667 0.020 1 905 84 85 VAL HB H 2.214 0.020 1 906 84 85 VAL HG1 H 0.696 0.020 2 907 84 85 VAL HG2 H 0.784 0.020 2 908 84 85 VAL C C 174.969 0.300 1 909 84 85 VAL CA C 59.499 0.300 1 910 84 85 VAL CB C 32.761 0.300 1 911 84 85 VAL CG1 C 18.982 0.300 1 912 84 85 VAL CG2 C 22.501 0.300 1 913 84 85 VAL N N 122.944 0.300 1 914 85 86 GLU H H 8.681 0.020 1 915 85 86 GLU HA H 5.087 0.020 1 916 85 86 GLU HB2 H 1.973 0.020 2 917 85 86 GLU HB3 H 1.768 0.020 2 918 85 86 GLU HG2 H 2.099 0.020 1 919 85 86 GLU HG3 H 2.099 0.020 1 920 85 86 GLU CA C 52.949 0.300 1 921 85 86 GLU CB C 31.367 0.300 1 922 85 86 GLU CG C 35.853 0.300 1 923 85 86 GLU N N 120.907 0.300 1 924 86 87 PRO HA H 5.383 0.020 1 925 86 87 PRO HB2 H 1.843 0.020 2 926 86 87 PRO HB3 H 2.029 0.020 2 927 86 87 PRO HG2 H 1.707 0.020 2 928 86 87 PRO HG3 H 2.139 0.020 2 929 86 87 PRO HD2 H 3.970 0.020 1 930 86 87 PRO HD3 H 3.970 0.020 1 931 86 87 PRO C C 175.908 0.300 1 932 86 87 PRO CA C 61.444 0.300 1 933 86 87 PRO CB C 32.657 0.300 1 934 86 87 PRO CG C 27.614 0.300 1 935 86 87 PRO CD C 50.955 0.300 1 936 87 88 LYS H H 9.397 0.020 1 937 87 88 LYS HA H 4.688 0.020 1 938 87 88 LYS HB2 H 1.873 0.020 2 939 87 88 LYS HB3 H 1.751 0.020 2 940 87 88 LYS HG2 H 1.462 0.020 1 941 87 88 LYS HG3 H 1.462 0.020 1 942 87 88 LYS HD2 H 1.579 0.020 2 943 87 88 LYS HD3 H 1.611 0.020 2 944 87 88 LYS HE2 H 2.840 0.020 1 945 87 88 LYS HE3 H 2.840 0.020 1 946 87 88 LYS C C 175.676 0.300 1 947 87 88 LYS CA C 55.101 0.300 1 948 87 88 LYS CB C 36.608 0.300 1 949 87 88 LYS CG C 24.618 0.300 1 950 87 88 LYS CD C 29.312 0.300 1 951 87 88 LYS CE C 42.131 0.300 1 952 87 88 LYS N N 121.252 0.300 1 953 88 89 ARG H H 8.940 0.020 1 954 88 89 ARG HA H 4.375 0.020 1 955 88 89 ARG HB2 H 1.656 0.020 2 956 88 89 ARG HB3 H 2.002 0.020 2 957 88 89 ARG HG2 H 1.551 0.020 2 958 88 89 ARG HG3 H 1.659 0.020 2 959 88 89 ARG HD2 H 3.275 0.020 1 960 88 89 ARG HD3 H 3.275 0.020 1 961 88 89 ARG C C 177.011 0.300 1 962 88 89 ARG CA C 57.209 0.300 1 963 88 89 ARG CB C 30.452 0.300 1 964 88 89 ARG CG C 28.882 0.300 1 965 88 89 ARG CD C 43.334 0.300 1 966 88 89 ARG N N 123.272 0.300 1 967 89 90 ALA H H 8.424 0.020 1 968 89 90 ALA HA H 4.259 0.020 1 969 89 90 ALA HB H 1.464 0.020 1 970 89 90 ALA C C 177.452 0.300 1 971 89 90 ALA CA C 53.712 0.300 1 972 89 90 ALA CB C 18.824 0.300 1 973 89 90 ALA N N 126.260 0.300 1 974 90 91 VAL H H 7.892 0.020 1 975 90 91 VAL HA H 4.182 0.020 1 976 90 91 VAL HB H 1.996 0.020 1 977 90 91 VAL HG1 H 0.853 0.020 2 978 90 91 VAL HG2 H 0.838 0.020 2 979 90 91 VAL C C 175.397 0.300 1 980 90 91 VAL CA C 61.516 0.300 1 981 90 91 VAL CB C 33.448 0.300 1 982 90 91 VAL CG1 C 21.153 0.300 1 983 90 91 VAL CG2 C 20.472 0.300 1 984 90 91 VAL N N 115.835 0.300 1 985 91 92 SER H H 8.327 0.020 1 986 91 92 SER HA H 4.420 0.020 1 987 91 92 SER HB2 H 3.825 0.020 2 988 91 92 SER HB3 H 3.873 0.020 2 989 91 92 SER CA C 57.888 0.300 1 990 91 92 SER CB C 63.788 0.300 1 991 91 92 SER N N 119.224 0.300 1 992 92 93 ARG H H 8.425 0.020 1 993 92 93 ARG HA H 4.231 0.020 1 994 92 93 ARG HB2 H 1.701 0.020 2 995 92 93 ARG HB3 H 1.802 0.020 2 996 92 93 ARG HG2 H 1.522 0.020 2 997 92 93 ARG HG3 H 1.554 0.020 2 998 92 93 ARG HD2 H 2.937 0.020 2 999 92 93 ARG HD3 H 3.080 0.020 2 1000 92 93 ARG C C 176.651 0.300 1 1001 92 93 ARG CA C 56.671 0.300 1 1002 92 93 ARG CB C 30.776 0.300 1 1003 92 93 ARG CG C 27.095 0.300 1 1004 92 93 ARG CD C 43.301 0.300 1 1005 93 94 GLU H H 8.503 0.020 1 1006 93 94 GLU HA H 4.181 0.020 1 1007 93 94 GLU HB2 H 1.868 0.020 2 1008 93 94 GLU HB3 H 1.979 0.020 2 1009 93 94 GLU HG2 H 2.194 0.020 1 1010 93 94 GLU HG3 H 2.194 0.020 1 1011 93 94 GLU C C 176.605 0.300 1 1012 93 94 GLU CA C 57.185 0.300 1 1013 93 94 GLU CB C 30.015 0.300 1 1014 93 94 GLU CG C 36.437 0.300 1 1015 93 94 GLU N N 121.483 0.300 1 1016 94 95 ASP H H 8.229 0.020 1 1017 94 95 ASP HA H 4.540 0.020 1 1018 94 95 ASP HB2 H 2.604 0.020 2 1019 94 95 ASP HB3 H 2.643 0.020 2 1020 94 95 ASP C C 176.744 0.300 1 1021 94 95 ASP CA C 54.678 0.300 1 1022 94 95 ASP CB C 41.183 0.300 1 1023 94 95 ASP N N 121.305 0.300 1 1024 95 96 SER H H 8.109 0.020 1 1025 95 96 SER HA H 4.286 0.020 1 1026 95 96 SER HB2 H 4.308 0.020 1 1027 95 96 SER HB3 H 4.308 0.020 1 1028 95 96 SER C C 174.602 0.300 1 1029 95 96 SER CA C 58.957 0.300 1 1030 95 96 SER CB C 64.524 0.300 1 1031 95 96 SER N N 115.787 0.300 1 1032 96 97 GLN H H 8.161 0.020 1 1033 96 97 GLN HA H 4.297 0.020 1 1034 96 97 GLN HB2 H 1.937 0.020 2 1035 96 97 GLN HB3 H 2.101 0.020 2 1036 96 97 GLN HG2 H 2.310 0.020 1 1037 96 97 GLN HG3 H 2.310 0.020 1 1038 96 97 GLN HE21 H 6.784 0.020 2 1039 96 97 GLN HE22 H 7.471 0.020 2 1040 96 97 GLN C C 175.742 0.300 1 1041 96 97 GLN CA C 55.721 0.300 1 1042 96 97 GLN CB C 29.313 0.300 1 1043 96 97 GLN CG C 33.874 0.300 1 1044 96 97 GLN N N 120.796 0.300 1 1045 96 97 GLN NE2 N 112.377 0.300 1 1046 97 98 ARG H H 8.029 0.020 1 1047 97 98 ARG HA H 4.552 0.020 1 1048 97 98 ARG HB2 H 1.688 0.020 2 1049 97 98 ARG HB3 H 1.784 0.020 2 1050 97 98 ARG HG2 H 1.607 0.020 1 1051 97 98 ARG HG3 H 1.607 0.020 1 1052 97 98 ARG HD2 H 3.153 0.020 1 1053 97 98 ARG HD3 H 3.153 0.020 1 1054 97 98 ARG CA C 54.096 0.300 1 1055 97 98 ARG CB C 30.115 0.300 1 1056 97 98 ARG CG C 26.914 0.300 1 1057 97 98 ARG CD C 43.407 0.300 1 1058 97 98 ARG N N 122.462 0.300 1 1059 98 99 PRO HA H 4.362 0.020 1 1060 98 99 PRO HB2 H 2.237 0.020 2 1061 98 99 PRO HB3 H 1.856 0.020 2 1062 98 99 PRO HG2 H 1.952 0.020 2 1063 98 99 PRO HG3 H 2.002 0.020 2 1064 98 99 PRO HD2 H 3.574 0.020 2 1065 98 99 PRO HD3 H 3.750 0.020 2 1066 98 99 PRO C C 177.715 0.300 1 1067 98 99 PRO CA C 63.592 0.300 1 1068 98 99 PRO CB C 31.955 0.300 1 1069 98 99 PRO CG C 27.490 0.300 1 1070 98 99 PRO CD C 50.577 0.300 1 1071 99 100 GLY H H 8.516 0.020 1 1072 99 100 GLY HA2 H 3.833 0.020 2 1073 99 100 GLY HA3 H 3.891 0.020 2 1074 99 100 GLY C C 174.356 0.300 1 1075 99 100 GLY CA C 45.395 0.300 1 1076 99 100 GLY N N 109.572 0.300 1 1077 100 101 ALA H H 8.015 0.020 1 1078 100 101 ALA HA H 4.141 0.020 1 1079 100 101 ALA HB H 1.301 0.020 1 1080 100 101 ALA CA C 53.160 0.300 1 1081 100 101 ALA CB C 19.185 0.300 1 1082 100 101 ALA N N 123.418 0.300 1 1083 101 102 HIS HA H 4.502 0.020 1 1084 101 102 HIS HB2 H 3.014 0.020 1 1085 101 102 HIS HB3 H 3.014 0.020 1 1086 101 102 HIS HD2 H 6.913 0.020 1 1087 101 102 HIS HE1 H 7.780 0.020 1 1088 101 102 HIS C C 175.102 0.300 1 1089 101 102 HIS CA C 56.309 0.300 1 1090 101 102 HIS CB C 30.450 0.300 1 1091 101 102 HIS CD2 C 119.401 0.300 1 1092 101 102 HIS CE1 C 138.486 0.300 1 1093 101 102 HIS ND1 N 226.446 0.300 1 1094 101 102 HIS NE2 N 177.745 0.300 1 1095 102 103 LEU H H 7.774 0.020 1 1096 102 103 LEU HA H 4.263 0.020 1 1097 102 103 LEU HB2 H 1.427 0.020 2 1098 102 103 LEU HB3 H 1.523 0.020 2 1099 102 103 LEU HG H 1.233 0.020 1 1100 102 103 LEU HD1 H 0.819 0.020 2 1101 102 103 LEU HD2 H 0.741 0.020 2 1102 102 103 LEU C C 177.020 0.300 1 1103 102 103 LEU CA C 54.934 0.300 1 1104 102 103 LEU CB C 42.414 0.300 1 1105 102 103 LEU CG C 26.776 0.300 1 1106 102 103 LEU CD1 C 25.139 0.300 1 1107 102 103 LEU CD2 C 23.463 0.300 1 1108 102 103 LEU N N 122.495 0.300 1 1109 103 104 THR H H 8.001 0.020 1 1110 103 104 THR HA H 4.220 0.020 1 1111 103 104 THR HB H 3.873 0.020 1 1112 103 104 THR HG2 H 0.774 0.020 1 1113 103 104 THR C C 174.185 0.300 1 1114 103 104 THR CA C 60.917 0.300 1 1115 103 104 THR CB C 69.340 0.300 1 1116 103 104 THR CG2 C 21.393 0.300 1 1117 103 104 THR N N 115.720 0.300 1 1118 104 105 VAL H H 8.191 0.020 1 1119 104 105 VAL HA H 4.330 0.020 1 1120 104 105 VAL HB H 2.149 0.020 1 1121 104 105 VAL HG1 H 1.088 0.020 2 1122 104 105 VAL HG2 H 0.984 0.020 2 1123 104 105 VAL C C 175.294 0.300 1 1124 104 105 VAL CA C 61.877 0.300 1 1125 104 105 VAL CB C 34.220 0.300 1 1126 104 105 VAL CG1 C 22.358 0.300 1 1127 104 105 VAL CG2 C 21.012 0.300 1 1128 104 105 VAL N N 122.004 0.300 1 1129 105 106 LYS H H 8.672 0.020 1 1130 105 106 LYS HA H 4.498 0.020 1 1131 105 106 LYS HB2 H 1.599 0.020 1 1132 105 106 LYS HB3 H 1.599 0.020 1 1133 105 106 LYS HG2 H 1.433 0.020 2 1134 105 106 LYS HG3 H 1.049 0.020 2 1135 105 106 LYS HD2 H 1.632 0.020 2 1136 105 106 LYS HD3 H 1.662 0.020 2 1137 105 106 LYS HE2 H 2.978 0.020 1 1138 105 106 LYS HE3 H 2.978 0.020 1 1139 105 106 LYS C C 173.482 0.300 1 1140 105 106 LYS CA C 56.433 0.300 1 1141 105 106 LYS CB C 33.245 0.300 1 1142 105 106 LYS CG C 25.770 0.300 1 1143 105 106 LYS CD C 29.500 0.300 1 1144 105 106 LYS CE C 42.204 0.300 1 1145 105 106 LYS N N 121.406 0.300 1 1146 106 107 LYS H H 7.134 0.020 1 1147 106 107 LYS HA H 5.623 0.020 1 1148 106 107 LYS HB2 H 1.603 0.020 2 1149 106 107 LYS HB3 H 1.825 0.020 2 1150 106 107 LYS HG2 H 1.228 0.020 2 1151 106 107 LYS HG3 H 1.486 0.020 2 1152 106 107 LYS HD2 H 1.351 0.020 1 1153 106 107 LYS HD3 H 1.351 0.020 1 1154 106 107 LYS HE2 H 2.492 0.020 1 1155 106 107 LYS HE3 H 2.492 0.020 1 1156 106 107 LYS C C 175.153 0.300 1 1157 106 107 LYS CA C 54.537 0.300 1 1158 106 107 LYS CB C 37.407 0.300 1 1159 106 107 LYS CG C 24.694 0.300 1 1160 106 107 LYS CD C 29.679 0.300 1 1161 106 107 LYS CE C 41.353 0.300 1 1162 106 107 LYS N N 121.756 0.300 1 1163 107 108 ILE H H 8.948 0.020 1 1164 107 108 ILE HA H 5.110 0.020 1 1165 107 108 ILE HB H 1.801 0.020 1 1166 107 108 ILE HG12 H 1.156 0.020 2 1167 107 108 ILE HG13 H 1.278 0.020 2 1168 107 108 ILE HG2 H 0.680 0.020 1 1169 107 108 ILE HD1 H 0.114 0.020 1 1170 107 108 ILE C C 174.525 0.300 1 1171 107 108 ILE CA C 59.009 0.300 1 1172 107 108 ILE CB C 40.552 0.300 1 1173 107 108 ILE CG1 C 25.953 0.300 1 1174 107 108 ILE CG2 C 19.296 0.300 1 1175 107 108 ILE CD1 C 13.834 0.300 1 1176 107 108 ILE N N 115.982 0.300 1 1177 108 109 PHE H H 9.103 0.020 1 1178 108 109 PHE HA H 4.696 0.020 1 1179 108 109 PHE HB2 H 2.709 0.020 2 1180 108 109 PHE HB3 H 2.951 0.020 2 1181 108 109 PHE HD1 H 6.758 0.020 1 1182 108 109 PHE HD2 H 6.758 0.020 1 1183 108 109 PHE HE1 H 6.649 0.020 1 1184 108 109 PHE HE2 H 6.649 0.020 1 1185 108 109 PHE HZ H 6.867 0.020 1 1186 108 109 PHE C C 173.422 0.300 1 1187 108 109 PHE CA C 56.567 0.300 1 1188 108 109 PHE CB C 41.596 0.300 1 1189 108 109 PHE CD1 C 131.466 0.300 1 1190 108 109 PHE CD2 C 131.466 0.300 1 1191 108 109 PHE CE1 C 131.279 0.300 1 1192 108 109 PHE CE2 C 131.279 0.300 1 1193 108 109 PHE CZ C 129.427 0.300 1 1194 108 109 PHE N N 124.182 0.300 1 1195 109 110 VAL H H 8.338 0.020 1 1196 109 110 VAL HA H 4.497 0.020 1 1197 109 110 VAL HB H 1.677 0.020 1 1198 109 110 VAL HG1 H 0.576 0.020 2 1199 109 110 VAL HG2 H 0.764 0.020 2 1200 109 110 VAL C C 174.097 0.300 1 1201 109 110 VAL CA C 60.493 0.300 1 1202 109 110 VAL CB C 33.266 0.300 1 1203 109 110 VAL CG1 C 21.027 0.300 1 1204 109 110 VAL CG2 C 21.242 0.300 1 1205 109 110 VAL N N 126.956 0.300 1 1206 110 111 GLY H H 9.173 0.020 1 1207 110 111 GLY HA2 H 3.744 0.020 2 1208 110 111 GLY HA3 H 4.435 0.020 2 1209 110 111 GLY C C 174.325 0.300 1 1210 110 111 GLY CA C 44.011 0.300 1 1211 110 111 GLY N N 113.617 0.300 1 1212 111 112 GLY H H 8.221 0.020 1 1213 111 112 GLY HA2 H 3.833 0.020 2 1214 111 112 GLY HA3 H 4.333 0.020 2 1215 111 112 GLY CA C 46.359 0.300 1 1216 111 112 GLY N N 106.411 0.300 1 1217 112 113 ILE HG2 H 0.739 0.020 1 1218 112 113 ILE HD1 H 0.542 0.020 1 1219 112 113 ILE CG2 C 18.550 0.300 1 1220 112 113 ILE CD1 C 13.991 0.300 1 1221 116 117 THR HA H 4.322 0.020 1 1222 116 117 THR HG2 H 1.067 0.020 1 1223 116 117 THR C C 173.380 0.300 1 1224 116 117 THR CA C 63.000 0.300 1 1225 116 117 THR CG2 C 22.513 0.300 1 1226 117 118 GLU H H 11.190 0.020 1 1227 117 118 GLU HA H 4.632 0.020 1 1228 117 118 GLU HB2 H 1.300 0.020 2 1229 117 118 GLU HB3 H 2.238 0.020 2 1230 117 118 GLU HG2 H 2.241 0.020 2 1231 117 118 GLU HG3 H 2.375 0.020 2 1232 117 118 GLU C C 177.632 0.300 1 1233 117 118 GLU CA C 53.853 0.300 1 1234 117 118 GLU CB C 32.977 0.300 1 1235 117 118 GLU CG C 35.668 0.300 1 1236 117 118 GLU N N 130.298 0.300 1 1237 118 119 GLU H H 9.339 0.020 1 1238 118 119 GLU HA H 3.627 0.020 1 1239 118 119 GLU HB2 H 2.072 0.020 2 1240 118 119 GLU HB3 H 2.135 0.020 2 1241 118 119 GLU HG2 H 2.192 0.020 1 1242 118 119 GLU HG3 H 2.192 0.020 1 1243 118 119 GLU C C 179.294 0.300 1 1244 118 119 GLU CA C 61.689 0.300 1 1245 118 119 GLU CB C 29.075 0.300 1 1246 118 119 GLU CG C 36.809 0.300 1 1247 118 119 GLU N N 122.126 0.300 1 1248 119 120 HIS H H 8.240 0.020 1 1249 119 120 HIS HA H 4.265 0.020 1 1250 119 120 HIS HB2 H 3.008 0.020 2 1251 119 120 HIS HB3 H 3.173 0.020 2 1252 119 120 HIS HD2 H 6.883 0.020 1 1253 119 120 HIS HE1 H 7.549 0.020 1 1254 119 120 HIS C C 176.566 0.300 1 1255 119 120 HIS CA C 58.917 0.300 1 1256 119 120 HIS CB C 28.187 0.300 1 1257 119 120 HIS CD2 C 119.849 0.300 1 1258 119 120 HIS CE1 C 137.914 0.300 1 1259 119 120 HIS N N 113.514 0.300 1 1260 119 120 HIS ND1 N 221.691 0.300 1 1261 119 120 HIS NE2 N 175.591 0.300 1 1262 120 121 HIS H H 6.474 0.020 1 1263 120 121 HIS HA H 4.332 0.020 1 1264 120 121 HIS HB2 H 2.833 0.020 2 1265 120 121 HIS HB3 H 3.225 0.020 2 1266 120 121 HIS HD2 H 7.058 0.020 1 1267 120 121 HIS HE1 H 7.667 0.020 1 1268 120 121 HIS C C 179.713 0.300 1 1269 120 121 HIS CA C 60.310 0.300 1 1270 120 121 HIS CB C 32.233 0.300 1 1271 120 121 HIS CD2 C 117.079 0.300 1 1272 120 121 HIS CE1 C 138.162 0.300 1 1273 120 121 HIS N N 118.629 0.300 1 1274 120 121 HIS ND1 N 254.201 0.300 1 1275 120 121 HIS NE2 N 167.702 0.300 1 1276 121 122 LEU H H 7.132 0.020 1 1277 121 122 LEU HA H 4.179 0.020 1 1278 121 122 LEU HB2 H 1.400 0.020 2 1279 121 122 LEU HB3 H 2.141 0.020 2 1280 121 122 LEU HG H 1.609 0.020 1 1281 121 122 LEU HD1 H 0.867 0.020 2 1282 121 122 LEU HD2 H 0.630 0.020 2 1283 121 122 LEU C C 178.020 0.300 1 1284 121 122 LEU CA C 57.924 0.300 1 1285 121 122 LEU CB C 42.577 0.300 1 1286 121 122 LEU CG C 27.766 0.300 1 1287 121 122 LEU CD1 C 24.715 0.300 1 1288 121 122 LEU CD2 C 26.859 0.300 1 1289 121 122 LEU N N 117.249 0.300 1 1290 122 123 ARG H H 8.759 0.020 1 1291 122 123 ARG HA H 3.741 0.020 1 1292 122 123 ARG HB2 H 1.843 0.020 2 1293 122 123 ARG HB3 H 1.754 0.020 2 1294 122 123 ARG HG2 H 1.492 0.020 2 1295 122 123 ARG HG3 H 1.557 0.020 2 1296 122 123 ARG HD2 H 3.320 0.020 2 1297 122 123 ARG HD3 H 3.143 0.020 2 1298 122 123 ARG HE H 7.704 0.020 1 1299 122 123 ARG C C 177.023 0.300 1 1300 122 123 ARG CA C 60.508 0.300 1 1301 122 123 ARG CB C 30.256 0.300 1 1302 122 123 ARG CG C 28.315 0.300 1 1303 122 123 ARG CD C 42.904 0.300 1 1304 122 123 ARG N N 121.766 0.300 1 1305 122 123 ARG NE N 83.977 0.300 1 1306 123 124 ASP H H 8.423 0.020 1 1307 123 124 ASP HA H 4.294 0.020 1 1308 123 124 ASP HB2 H 2.691 0.020 2 1309 123 124 ASP HB3 H 2.806 0.020 2 1310 123 124 ASP C C 178.057 0.300 1 1311 123 124 ASP CA C 57.076 0.300 1 1312 123 124 ASP CB C 40.572 0.300 1 1313 123 124 ASP N N 116.299 0.300 1 1314 124 125 TYR H H 7.212 0.020 1 1315 124 125 TYR HA H 4.338 0.020 1 1316 124 125 TYR HB2 H 3.157 0.020 2 1317 124 125 TYR HB3 H 2.482 0.020 2 1318 124 125 TYR HD1 H 5.886 0.020 1 1319 124 125 TYR HD2 H 5.886 0.020 1 1320 124 125 TYR HE1 H 6.584 0.020 1 1321 124 125 TYR HE2 H 6.584 0.020 1 1322 124 125 TYR C C 177.688 0.300 1 1323 124 125 TYR CA C 61.660 0.300 1 1324 124 125 TYR CB C 39.847 0.300 1 1325 124 125 TYR CD1 C 132.513 0.300 1 1326 124 125 TYR CD2 C 132.513 0.300 1 1327 124 125 TYR CE1 C 118.725 0.300 1 1328 124 125 TYR CE2 C 118.725 0.300 1 1329 124 125 TYR N N 115.172 0.300 1 1330 125 126 PHE H H 8.802 0.020 1 1331 125 126 PHE HA H 4.515 0.020 1 1332 125 126 PHE HB2 H 3.166 0.020 2 1333 125 126 PHE HB3 H 3.569 0.020 2 1334 125 126 PHE HD1 H 7.584 0.020 1 1335 125 126 PHE HD2 H 7.584 0.020 1 1336 125 126 PHE HE1 H 6.881 0.020 1 1337 125 126 PHE HE2 H 6.881 0.020 1 1338 125 126 PHE HZ H 6.751 0.020 1 1339 125 126 PHE C C 178.209 0.300 1 1340 125 126 PHE CA C 63.404 0.300 1 1341 125 126 PHE CB C 38.614 0.300 1 1342 125 126 PHE CD1 C 132.013 0.300 1 1343 125 126 PHE CD2 C 132.013 0.300 1 1344 125 126 PHE CE1 C 130.324 0.300 1 1345 125 126 PHE CE2 C 130.324 0.300 1 1346 125 126 PHE CZ C 129.523 0.300 1 1347 125 126 PHE N N 113.932 0.300 1 1348 126 127 GLU H H 8.869 0.020 1 1349 126 127 GLU HA H 4.884 0.020 1 1350 126 127 GLU HB2 H 2.128 0.020 2 1351 126 127 GLU HB3 H 2.263 0.020 2 1352 126 127 GLU HG2 H 2.475 0.020 2 1353 126 127 GLU HG3 H 2.532 0.020 2 1354 126 127 GLU C C 177.936 0.300 1 1355 126 127 GLU CA C 58.560 0.300 1 1356 126 127 GLU CB C 28.516 0.300 1 1357 126 127 GLU CG C 37.293 0.300 1 1358 126 127 GLU N N 120.515 0.300 1 1359 127 128 GLN H H 7.105 0.020 1 1360 127 128 GLN HA H 4.055 0.020 1 1361 127 128 GLN HB2 H 1.732 0.020 2 1362 127 128 GLN HB3 H 1.683 0.020 2 1363 127 128 GLN HG2 H 1.374 0.020 2 1364 127 128 GLN HG3 H 2.004 0.020 2 1365 127 128 GLN HE21 H 7.069 0.020 2 1366 127 128 GLN HE22 H 6.367 0.020 2 1367 127 128 GLN C C 176.656 0.300 1 1368 127 128 GLN CA C 57.566 0.300 1 1369 127 128 GLN CB C 29.047 0.300 1 1370 127 128 GLN CG C 33.698 0.300 1 1371 127 128 GLN N N 115.855 0.300 1 1372 127 128 GLN NE2 N 111.768 0.300 1 1373 128 129 TYR H H 7.950 0.020 1 1374 128 129 TYR HA H 4.328 0.020 1 1375 128 129 TYR HB2 H 2.952 0.020 2 1376 128 129 TYR HB3 H 2.909 0.020 2 1377 128 129 TYR HD1 H 7.147 0.020 1 1378 128 129 TYR HD2 H 7.147 0.020 1 1379 128 129 TYR HE1 H 6.544 0.020 1 1380 128 129 TYR HE2 H 6.544 0.020 1 1381 128 129 TYR C C 175.596 0.300 1 1382 128 129 TYR CA C 59.492 0.300 1 1383 128 129 TYR CB C 39.539 0.300 1 1384 128 129 TYR CD1 C 133.451 0.300 1 1385 128 129 TYR CD2 C 133.451 0.300 1 1386 128 129 TYR CE1 C 118.130 0.300 1 1387 128 129 TYR CE2 C 118.130 0.300 1 1388 128 129 TYR N N 116.626 0.300 1 1389 129 130 GLY H H 7.492 0.020 1 1390 129 130 GLY HA2 H 4.437 0.020 2 1391 129 130 GLY HA3 H 3.873 0.020 2 1392 129 130 GLY C C 170.407 0.300 1 1393 129 130 GLY CA C 44.819 0.300 1 1394 129 130 GLY N N 107.386 0.300 1 1395 130 131 LYS H H 8.135 0.020 1 1396 130 131 LYS HA H 4.315 0.020 1 1397 130 131 LYS HB2 H 1.773 0.020 1 1398 130 131 LYS HB3 H 1.773 0.020 1 1399 130 131 LYS HG2 H 1.461 0.020 2 1400 130 131 LYS HG3 H 1.319 0.020 2 1401 130 131 LYS HD2 H 1.661 0.020 1 1402 130 131 LYS HD3 H 1.661 0.020 1 1403 130 131 LYS HE2 H 2.972 0.020 1 1404 130 131 LYS HE3 H 2.972 0.020 1 1405 130 131 LYS C C 177.097 0.300 1 1406 130 131 LYS CA C 56.938 0.300 1 1407 130 131 LYS CB C 33.199 0.300 1 1408 130 131 LYS CG C 25.022 0.300 1 1409 130 131 LYS CD C 29.156 0.300 1 1410 130 131 LYS CE C 42.242 0.300 1 1411 130 131 LYS N N 117.786 0.300 1 1412 131 132 ILE H H 8.917 0.020 1 1413 131 132 ILE HA H 3.681 0.020 1 1414 131 132 ILE HB H 1.578 0.020 1 1415 131 132 ILE HG12 H 1.793 0.020 2 1416 131 132 ILE HG13 H 0.159 0.020 2 1417 131 132 ILE HG2 H 0.452 0.020 1 1418 131 132 ILE HD1 H 0.774 0.020 1 1419 131 132 ILE C C 175.841 0.300 1 1420 131 132 ILE CA C 61.625 0.300 1 1421 131 132 ILE CB C 40.441 0.300 1 1422 131 132 ILE CG1 C 28.591 0.300 1 1423 131 132 ILE CG2 C 17.389 0.300 1 1424 131 132 ILE CD1 C 15.559 0.300 1 1425 131 132 ILE N N 127.829 0.300 1 1426 132 133 GLU H H 9.136 0.020 1 1427 132 133 GLU HA H 4.320 0.020 1 1428 132 133 GLU HB2 H 1.671 0.020 1 1429 132 133 GLU HB3 H 1.671 0.020 1 1430 132 133 GLU HG2 H 2.145 0.020 2 1431 132 133 GLU HG3 H 1.949 0.020 2 1432 132 133 GLU C C 176.192 0.300 1 1433 132 133 GLU CA C 57.816 0.300 1 1434 132 133 GLU CB C 31.670 0.300 1 1435 132 133 GLU CG C 35.892 0.300 1 1436 132 133 GLU N N 128.437 0.300 1 1437 133 134 VAL H H 7.272 0.020 1 1438 133 134 VAL HA H 4.316 0.020 1 1439 133 134 VAL HB H 2.017 0.020 1 1440 133 134 VAL HG1 H 0.862 0.020 2 1441 133 134 VAL HG2 H 0.806 0.020 2 1442 133 134 VAL C C 172.860 0.300 1 1443 133 134 VAL CA C 61.258 0.300 1 1444 133 134 VAL CB C 35.526 0.300 1 1445 133 134 VAL CG1 C 21.275 0.300 1 1446 133 134 VAL CG2 C 20.490 0.300 1 1447 133 134 VAL N N 115.096 0.300 1 1448 134 135 ILE H H 8.566 0.020 1 1449 134 135 ILE HA H 4.464 0.020 1 1450 134 135 ILE HB H 1.643 0.020 1 1451 134 135 ILE HG12 H 1.579 0.020 2 1452 134 135 ILE HG13 H 0.857 0.020 2 1453 134 135 ILE HG2 H 0.802 0.020 1 1454 134 135 ILE HD1 H 0.865 0.020 1 1455 134 135 ILE C C 174.004 0.300 1 1456 134 135 ILE CA C 60.904 0.300 1 1457 134 135 ILE CB C 40.408 0.300 1 1458 134 135 ILE CG1 C 28.977 0.300 1 1459 134 135 ILE CG2 C 18.142 0.300 1 1460 134 135 ILE CD1 C 14.178 0.300 1 1461 134 135 ILE N N 126.870 0.300 1 1462 135 136 GLU H H 9.019 0.020 1 1463 135 136 GLU HA H 4.642 0.020 1 1464 135 136 GLU HB2 H 1.885 0.020 2 1465 135 136 GLU HB3 H 2.115 0.020 2 1466 135 136 GLU HG2 H 2.046 0.020 2 1467 135 136 GLU HG3 H 2.086 0.020 2 1468 135 136 GLU C C 174.883 0.300 1 1469 135 136 GLU CA C 54.640 0.300 1 1470 135 136 GLU CB C 33.259 0.300 1 1471 135 136 GLU CG C 36.511 0.300 1 1472 135 136 GLU N N 128.037 0.300 1 1473 136 137 ILE H H 8.967 0.020 1 1474 136 137 ILE HA H 3.898 0.020 1 1475 136 137 ILE HB H 1.835 0.020 1 1476 136 137 ILE HG12 H 0.760 0.020 2 1477 136 137 ILE HG13 H 1.457 0.020 2 1478 136 137 ILE HG2 H 0.736 0.020 1 1479 136 137 ILE HD1 H 0.611 0.020 1 1480 136 137 ILE C C 176.157 0.300 1 1481 136 137 ILE CA C 61.336 0.300 1 1482 136 137 ILE CB C 37.397 0.300 1 1483 136 137 ILE CG1 C 28.132 0.300 1 1484 136 137 ILE CG2 C 17.630 0.300 1 1485 136 137 ILE CD1 C 12.415 0.300 1 1486 136 137 ILE N N 126.668 0.300 1 1487 137 138 MET H H 7.656 0.020 1 1488 137 138 MET HA H 4.679 0.020 1 1489 137 138 MET HB2 H 1.038 0.020 2 1490 137 138 MET HB3 H 1.379 0.020 2 1491 137 138 MET HG2 H 2.131 0.020 2 1492 137 138 MET HG3 H 2.274 0.020 2 1493 137 138 MET HE H 2.104 0.020 1 1494 137 138 MET C C 176.723 0.300 1 1495 137 138 MET CA C 55.163 0.300 1 1496 137 138 MET CB C 30.841 0.300 1 1497 137 138 MET CG C 32.460 0.300 1 1498 137 138 MET CE C 17.257 0.300 1 1499 137 138 MET N N 126.115 0.300 1 1500 138 139 THR H H 8.551 0.020 1 1501 138 139 THR HA H 4.746 0.020 1 1502 138 139 THR HB H 3.786 0.020 1 1503 138 139 THR HG2 H 0.976 0.020 1 1504 138 139 THR C C 173.642 0.300 1 1505 138 139 THR CA C 60.385 0.300 1 1506 138 139 THR CB C 72.028 0.300 1 1507 138 139 THR CG2 C 21.585 0.300 1 1508 138 139 THR N N 116.735 0.300 1 1509 139 140 ASP H H 8.818 0.020 1 1510 139 140 ASP HA H 4.677 0.020 1 1511 139 140 ASP HB2 H 2.462 0.020 2 1512 139 140 ASP HB3 H 2.872 0.020 2 1513 139 140 ASP CA C 53.728 0.300 1 1514 139 140 ASP CB C 42.270 0.300 1 1515 139 140 ASP N N 123.899 0.300 1 1516 140 141 ARG HA H 4.037 0.020 1 1517 140 141 ARG HB2 H 1.838 0.020 1 1518 140 141 ARG HB3 H 1.838 0.020 1 1519 140 141 ARG HG2 H 1.686 0.020 1 1520 140 141 ARG HG3 H 1.686 0.020 1 1521 140 141 ARG HD2 H 3.185 0.020 1 1522 140 141 ARG HD3 H 3.185 0.020 1 1523 140 141 ARG C C 177.886 0.300 1 1524 140 141 ARG CB C 29.886 0.300 1 1525 140 141 ARG CG C 27.233 0.300 1 1526 140 141 ARG CD C 43.184 0.300 1 1527 141 142 GLY H H 8.635 0.020 1 1528 141 142 GLY HA2 H 3.908 0.020 1 1529 141 142 GLY HA3 H 3.908 0.020 1 1530 141 142 GLY C C 174.861 0.300 1 1531 141 142 GLY CA C 46.490 0.300 1 1532 141 142 GLY N N 107.951 0.300 1 1533 142 143 SER H H 8.034 0.020 1 1534 142 143 SER HA H 4.533 0.020 1 1535 142 143 SER HB2 H 3.814 0.020 2 1536 142 143 SER HB3 H 3.953 0.020 2 1537 142 143 SER C C 176.080 0.300 1 1538 142 143 SER CA C 58.429 0.300 1 1539 142 143 SER CB C 65.439 0.300 1 1540 142 143 SER N N 114.044 0.300 1 1541 143 144 GLY H H 8.363 0.020 1 1542 143 144 GLY HA2 H 4.148 0.020 2 1543 143 144 GLY HA3 H 3.766 0.020 2 1544 143 144 GLY C C 173.949 0.300 1 1545 143 144 GLY CA C 45.703 0.300 1 1546 143 144 GLY N N 112.348 0.300 1 1547 144 145 LYS H H 7.786 0.020 1 1548 144 145 LYS HA H 4.273 0.020 1 1549 144 145 LYS HB2 H 1.659 0.020 2 1550 144 145 LYS HB3 H 1.764 0.020 2 1551 144 145 LYS HG2 H 1.372 0.020 1 1552 144 145 LYS HG3 H 1.372 0.020 1 1553 144 145 LYS HD2 H 1.653 0.020 1 1554 144 145 LYS HD3 H 1.653 0.020 1 1555 144 145 LYS HE2 H 2.972 0.020 1 1556 144 145 LYS HE3 H 2.972 0.020 1 1557 144 145 LYS C C 176.969 0.300 1 1558 144 145 LYS CA C 56.145 0.300 1 1559 144 145 LYS CB C 33.378 0.300 1 1560 144 145 LYS CG C 24.864 0.300 1 1561 144 145 LYS CD C 28.944 0.300 1 1562 144 145 LYS CE C 42.383 0.300 1 1563 144 145 LYS N N 119.966 0.300 1 1564 145 146 LYS H H 8.968 0.020 1 1565 145 146 LYS HA H 4.187 0.020 1 1566 145 146 LYS HB2 H 1.681 0.020 1 1567 145 146 LYS HB3 H 1.681 0.020 1 1568 145 146 LYS HG2 H 1.377 0.020 2 1569 145 146 LYS HG3 H 1.638 0.020 2 1570 145 146 LYS HD2 H 1.639 0.020 1 1571 145 146 LYS HD3 H 1.639 0.020 1 1572 145 146 LYS HE2 H 2.969 0.020 1 1573 145 146 LYS HE3 H 2.969 0.020 1 1574 145 146 LYS C C 177.498 0.300 1 1575 145 146 LYS CA C 57.392 0.300 1 1576 145 146 LYS CB C 32.577 0.300 1 1577 145 146 LYS CG C 25.979 0.300 1 1578 145 146 LYS CD C 29.230 0.300 1 1579 145 146 LYS CE C 42.590 0.300 1 1580 145 146 LYS N N 123.668 0.300 1 1581 146 147 ARG H H 8.095 0.020 1 1582 146 147 ARG HA H 4.294 0.020 1 1583 146 147 ARG HB2 H 1.753 0.020 2 1584 146 147 ARG HB3 H 1.844 0.020 2 1585 146 147 ARG HG2 H 1.604 0.020 1 1586 146 147 ARG HG3 H 1.604 0.020 1 1587 146 147 ARG HD2 H 3.148 0.020 1 1588 146 147 ARG HD3 H 3.148 0.020 1 1589 146 147 ARG CA C 56.365 0.300 1 1590 146 147 ARG CB C 30.786 0.300 1 1591 146 147 ARG CG C 27.025 0.300 1 1592 146 147 ARG CD C 43.420 0.300 1 1593 146 147 ARG N N 119.700 0.300 1 1594 147 148 GLY H H 8.401 0.020 1 1595 147 148 GLY HA2 H 3.921 0.020 2 1596 147 148 GLY HA3 H 4.187 0.020 2 1597 147 148 GLY C C 173.384 0.300 1 1598 147 148 GLY CA C 45.440 0.300 1 1599 147 148 GLY N N 110.572 0.300 1 1600 148 149 PHE H H 7.255 0.020 1 1601 148 149 PHE HA H 5.194 0.020 1 1602 148 149 PHE HB2 H 2.424 0.020 2 1603 148 149 PHE HB3 H 3.100 0.020 2 1604 148 149 PHE HD1 H 6.690 0.020 1 1605 148 149 PHE HD2 H 6.690 0.020 1 1606 148 149 PHE HE1 H 7.282 0.020 1 1607 148 149 PHE HE2 H 7.282 0.020 1 1608 148 149 PHE HZ H 7.301 0.020 1 1609 148 149 PHE C C 172.409 0.300 1 1610 148 149 PHE CA C 55.282 0.300 1 1611 148 149 PHE CB C 41.869 0.300 1 1612 148 149 PHE CD1 C 132.998 0.300 1 1613 148 149 PHE CD2 C 132.998 0.300 1 1614 148 149 PHE CE1 C 131.387 0.300 1 1615 148 149 PHE CE2 C 131.387 0.300 1 1616 148 149 PHE CZ C 129.640 0.300 1 1617 148 149 PHE N N 114.199 0.300 1 1618 149 150 ALA H H 8.786 0.020 1 1619 149 150 ALA HA H 4.966 0.020 1 1620 149 150 ALA HB H 1.014 0.020 1 1621 149 150 ALA C C 174.084 0.300 1 1622 149 150 ALA CA C 49.755 0.300 1 1623 149 150 ALA CB C 25.094 0.300 1 1624 149 150 ALA N N 121.427 0.300 1 1625 150 151 PHE H H 8.689 0.020 1 1626 150 151 PHE HA H 5.874 0.020 1 1627 150 151 PHE HB2 H 2.902 0.020 2 1628 150 151 PHE HB3 H 2.797 0.020 2 1629 150 151 PHE HD1 H 7.261 0.020 1 1630 150 151 PHE HD2 H 7.261 0.020 1 1631 150 151 PHE HE1 H 7.571 0.020 1 1632 150 151 PHE HE2 H 7.571 0.020 1 1633 150 151 PHE HZ H 7.516 0.020 1 1634 150 151 PHE C C 176.196 0.300 1 1635 150 151 PHE CA C 56.070 0.300 1 1636 150 151 PHE CB C 43.251 0.300 1 1637 150 151 PHE CD1 C 132.307 0.300 1 1638 150 151 PHE CD2 C 132.307 0.300 1 1639 150 151 PHE CE1 C 131.572 0.300 1 1640 150 151 PHE CE2 C 131.572 0.300 1 1641 150 151 PHE CZ C 129.819 0.300 1 1642 150 151 PHE N N 114.425 0.300 1 1643 151 152 VAL H H 8.559 0.020 1 1644 151 152 VAL HA H 4.375 0.020 1 1645 151 152 VAL HB H 1.408 0.020 1 1646 151 152 VAL HG1 H 0.069 0.020 2 1647 151 152 VAL HG2 H 0.489 0.020 2 1648 151 152 VAL C C 173.932 0.300 1 1649 151 152 VAL CA C 61.454 0.300 1 1650 151 152 VAL CB C 33.869 0.300 1 1651 151 152 VAL CG1 C 22.346 0.300 1 1652 151 152 VAL CG2 C 20.507 0.300 1 1653 151 152 VAL N N 122.489 0.300 1 1654 152 153 THR H H 8.723 0.020 1 1655 152 153 THR HA H 4.995 0.020 1 1656 152 153 THR HB H 3.885 0.020 1 1657 152 153 THR HG2 H 1.159 0.020 1 1658 152 153 THR C C 174.047 0.300 1 1659 152 153 THR CA C 61.931 0.300 1 1660 152 153 THR CB C 69.689 0.300 1 1661 152 153 THR CG2 C 21.410 0.300 1 1662 152 153 THR N N 123.112 0.300 1 1663 153 154 PHE H H 9.368 0.020 1 1664 153 154 PHE HA H 4.840 0.020 1 1665 153 154 PHE HB2 H 3.590 0.020 2 1666 153 154 PHE HB3 H 2.744 0.020 2 1667 153 154 PHE HD1 H 6.993 0.020 1 1668 153 154 PHE HD2 H 6.993 0.020 1 1669 153 154 PHE HE1 H 6.885 0.020 1 1670 153 154 PHE HE2 H 6.885 0.020 1 1671 153 154 PHE HZ H 6.798 0.020 1 1672 153 154 PHE C C 174.720 0.300 1 1673 153 154 PHE CA C 58.098 0.300 1 1674 153 154 PHE CB C 41.706 0.300 1 1675 153 154 PHE CD1 C 132.205 0.300 1 1676 153 154 PHE CD2 C 132.205 0.300 1 1677 153 154 PHE CE1 C 130.581 0.300 1 1678 153 154 PHE CE2 C 130.581 0.300 1 1679 153 154 PHE CZ C 129.776 0.300 1 1680 153 154 PHE N N 127.746 0.300 1 1681 154 155 ASP H H 8.196 0.020 1 1682 154 155 ASP HA H 4.486 0.020 1 1683 154 155 ASP HB2 H 2.537 0.020 2 1684 154 155 ASP HB3 H 2.646 0.020 2 1685 154 155 ASP C C 175.668 0.300 1 1686 154 155 ASP CA C 56.114 0.300 1 1687 154 155 ASP CB C 42.576 0.300 1 1688 154 155 ASP N N 118.371 0.300 1 1689 155 156 ASP H H 8.323 0.020 1 1690 155 156 ASP HA H 4.909 0.020 1 1691 155 156 ASP HB2 H 2.622 0.020 2 1692 155 156 ASP HB3 H 2.821 0.020 2 1693 155 156 ASP C C 176.392 0.300 1 1694 155 156 ASP CA C 52.615 0.300 1 1695 155 156 ASP CB C 44.471 0.300 1 1696 155 156 ASP N N 117.144 0.300 1 1697 156 157 HIS H H 8.492 0.020 1 1698 156 157 HIS HA H 4.336 0.020 1 1699 156 157 HIS HB2 H 2.784 0.020 2 1700 156 157 HIS HB3 H 3.315 0.020 2 1701 156 157 HIS HD2 H 7.131 0.020 1 1702 156 157 HIS HE1 H 7.914 0.020 1 1703 156 157 HIS C C 176.855 0.300 1 1704 156 157 HIS CA C 58.593 0.300 1 1705 156 157 HIS CB C 29.703 0.300 1 1706 156 157 HIS CD2 C 121.650 0.300 1 1707 156 157 HIS CE1 C 138.736 0.300 1 1708 156 157 HIS N N 121.508 0.300 1 1709 156 157 HIS ND1 N 215.819 0.300 1 1710 156 157 HIS NE2 N 187.308 0.300 1 1711 157 158 ASP H H 8.345 0.020 1 1712 157 158 ASP HA H 4.254 0.020 1 1713 157 158 ASP HB2 H 2.378 0.020 2 1714 157 158 ASP HB3 H 2.455 0.020 2 1715 157 158 ASP C C 178.233 0.300 1 1716 157 158 ASP CA C 57.047 0.300 1 1717 157 158 ASP CB C 40.875 0.300 1 1718 157 158 ASP N N 122.539 0.300 1 1719 158 159 SER H H 7.424 0.020 1 1720 158 159 SER HA H 3.899 0.020 1 1721 158 159 SER HB2 H 2.833 0.020 2 1722 158 159 SER HB3 H 3.193 0.020 2 1723 158 159 SER C C 174.750 0.300 1 1724 158 159 SER CA C 61.914 0.300 1 1725 158 159 SER CB C 63.088 0.300 1 1726 158 159 SER N N 113.623 0.300 1 1727 159 160 VAL H H 6.484 0.020 1 1728 159 160 VAL HA H 2.913 0.020 1 1729 159 160 VAL HB H 2.295 0.020 1 1730 159 160 VAL HG1 H 0.700 0.020 2 1731 159 160 VAL HG2 H 0.825 0.020 2 1732 159 160 VAL C C 177.269 0.300 1 1733 159 160 VAL CA C 66.512 0.300 1 1734 159 160 VAL CB C 31.395 0.300 1 1735 159 160 VAL CG1 C 22.127 0.300 1 1736 159 160 VAL CG2 C 24.167 0.300 1 1737 159 160 VAL N N 118.448 0.300 1 1738 160 161 ASP H H 7.663 0.020 1 1739 160 161 ASP HA H 4.275 0.020 1 1740 160 161 ASP HB2 H 2.594 0.020 2 1741 160 161 ASP HB3 H 2.696 0.020 2 1742 160 161 ASP C C 178.284 0.300 1 1743 160 161 ASP CA C 57.798 0.300 1 1744 160 161 ASP CB C 40.288 0.300 1 1745 160 161 ASP N N 119.064 0.300 1 1746 161 162 LYS H H 7.465 0.020 1 1747 161 162 LYS HA H 4.030 0.020 1 1748 161 162 LYS HB2 H 1.962 0.020 1 1749 161 162 LYS HB3 H 1.962 0.020 1 1750 161 162 LYS HG2 H 1.652 0.020 2 1751 161 162 LYS HG3 H 1.486 0.020 2 1752 161 162 LYS HD2 H 1.720 0.020 2 1753 161 162 LYS HD3 H 1.793 0.020 2 1754 161 162 LYS HE2 H 2.974 0.020 1 1755 161 162 LYS HE3 H 2.974 0.020 1 1756 161 162 LYS C C 178.205 0.300 1 1757 161 162 LYS CA C 58.796 0.300 1 1758 161 162 LYS CB C 33.298 0.300 1 1759 161 162 LYS CG C 25.700 0.300 1 1760 161 162 LYS CD C 29.520 0.300 1 1761 161 162 LYS CE C 42.256 0.300 1 1762 161 162 LYS N N 116.568 0.300 1 1763 162 163 ILE H H 7.367 0.020 1 1764 162 163 ILE HA H 3.241 0.020 1 1765 162 163 ILE HB H 1.526 0.020 1 1766 162 163 ILE HG12 H -0.598 0.020 2 1767 162 163 ILE HG13 H 1.111 0.020 2 1768 162 163 ILE HG2 H 0.446 0.020 1 1769 162 163 ILE HD1 H 0.238 0.020 1 1770 162 163 ILE C C 179.129 0.300 1 1771 162 163 ILE CA C 65.201 0.300 1 1772 162 163 ILE CB C 39.170 0.300 1 1773 162 163 ILE CG1 C 28.928 0.300 1 1774 162 163 ILE CG2 C 18.497 0.300 1 1775 162 163 ILE CD1 C 17.655 0.300 1 1776 162 163 ILE N N 119.457 0.300 1 1777 163 164 VAL H H 7.814 0.020 1 1778 163 164 VAL HA H 4.093 0.020 1 1779 163 164 VAL HB H 2.515 0.020 1 1780 163 164 VAL HG1 H 0.870 0.020 2 1781 163 164 VAL HG2 H 0.962 0.020 2 1782 163 164 VAL C C 176.685 0.300 1 1783 163 164 VAL CA C 64.137 0.300 1 1784 163 164 VAL CB C 30.720 0.300 1 1785 163 164 VAL CG1 C 21.178 0.300 1 1786 163 164 VAL CG2 C 19.187 0.300 1 1787 163 164 VAL N N 109.705 0.300 1 1788 164 165 ILE H H 6.979 0.020 1 1789 164 165 ILE HA H 3.968 0.020 1 1790 164 165 ILE HB H 1.904 0.020 1 1791 164 165 ILE HG12 H 1.248 0.020 2 1792 164 165 ILE HG13 H 1.593 0.020 2 1793 164 165 ILE HG2 H 0.966 0.020 1 1794 164 165 ILE HD1 H 0.916 0.020 1 1795 164 165 ILE C C 176.006 0.300 1 1796 164 165 ILE CA C 63.328 0.300 1 1797 164 165 ILE CB C 38.136 0.300 1 1798 164 165 ILE CG1 C 28.072 0.300 1 1799 164 165 ILE CG2 C 17.712 0.300 1 1800 164 165 ILE CD1 C 13.683 0.300 1 1801 164 165 ILE N N 118.885 0.300 1 1802 165 166 GLN H H 7.490 0.020 1 1803 165 166 GLN HA H 4.472 0.020 1 1804 165 166 GLN HB2 H 1.901 0.020 1 1805 165 166 GLN HB3 H 1.901 0.020 1 1806 165 166 GLN HG2 H 2.090 0.020 2 1807 165 166 GLN HG3 H 2.202 0.020 2 1808 165 166 GLN HE21 H 6.747 0.020 2 1809 165 166 GLN HE22 H 7.364 0.020 2 1810 165 166 GLN C C 174.808 0.300 1 1811 165 166 GLN CA C 54.743 0.300 1 1812 165 166 GLN CB C 30.183 0.300 1 1813 165 166 GLN CG C 33.236 0.300 1 1814 165 166 GLN N N 120.509 0.300 1 1815 165 166 GLN NE2 N 111.834 0.300 1 1816 166 167 LYS H H 8.085 0.020 1 1817 166 167 LYS HA H 3.992 0.020 1 1818 166 167 LYS HB2 H 1.506 0.020 2 1819 166 167 LYS HB3 H 1.664 0.020 2 1820 166 167 LYS HG2 H 1.243 0.020 2 1821 166 167 LYS HG3 H 0.692 0.020 2 1822 166 167 LYS HD2 H 1.552 0.020 1 1823 166 167 LYS HD3 H 1.552 0.020 1 1824 166 167 LYS HE2 H 2.850 0.020 1 1825 166 167 LYS HE3 H 2.850 0.020 1 1826 166 167 LYS C C 175.496 0.300 1 1827 166 167 LYS CA C 59.718 0.300 1 1828 166 167 LYS CB C 33.115 0.300 1 1829 166 167 LYS CG C 25.050 0.300 1 1830 166 167 LYS CD C 29.450 0.300 1 1831 166 167 LYS CE C 42.116 0.300 1 1832 166 167 LYS N N 122.953 0.300 1 1833 167 168 TYR H H 7.740 0.020 1 1834 167 168 TYR HA H 5.457 0.020 1 1835 167 168 TYR HB2 H 2.612 0.020 2 1836 167 168 TYR HB3 H 2.924 0.020 2 1837 167 168 TYR HD1 H 6.995 0.020 1 1838 167 168 TYR HD2 H 6.995 0.020 1 1839 167 168 TYR HE1 H 6.800 0.020 1 1840 167 168 TYR HE2 H 6.800 0.020 1 1841 167 168 TYR C C 175.593 0.300 1 1842 167 168 TYR CA C 56.417 0.300 1 1843 167 168 TYR CB C 40.057 0.300 1 1844 167 168 TYR CD1 C 133.458 0.300 1 1845 167 168 TYR CD2 C 133.458 0.300 1 1846 167 168 TYR CE1 C 117.887 0.300 1 1847 167 168 TYR CE2 C 117.887 0.300 1 1848 167 168 TYR N N 114.210 0.300 1 1849 168 169 HIS H H 9.035 0.020 1 1850 168 169 HIS HA H 4.526 0.020 1 1851 168 169 HIS HB2 H 2.449 0.020 2 1852 168 169 HIS HB3 H 2.627 0.020 2 1853 168 169 HIS HD2 H 6.744 0.020 1 1854 168 169 HIS HE1 H 7.813 0.020 1 1855 168 169 HIS HE2 H 11.376 0.020 1 1856 168 169 HIS C C 174.213 0.300 1 1857 168 169 HIS CA C 55.233 0.300 1 1858 168 169 HIS CB C 34.906 0.300 1 1859 168 169 HIS CD2 C 117.921 0.300 1 1860 168 169 HIS CE1 C 136.613 0.300 1 1861 168 169 HIS N N 122.617 0.300 1 1862 168 169 HIS ND1 N 244.454 0.300 1 1863 168 169 HIS NE2 N 167.838 0.300 1 1864 169 170 THR H H 8.784 0.020 1 1865 169 170 THR HA H 4.722 0.020 1 1866 169 170 THR HB H 3.859 0.020 1 1867 169 170 THR HG2 H 0.854 0.020 1 1868 169 170 THR C C 172.973 0.300 1 1869 169 170 THR CA C 61.620 0.300 1 1870 169 170 THR CB C 68.692 0.300 1 1871 169 170 THR CG2 C 21.274 0.300 1 1872 169 170 THR N N 121.981 0.300 1 1873 170 171 VAL H H 8.268 0.020 1 1874 170 171 VAL HA H 3.751 0.020 1 1875 170 171 VAL HB H 1.945 0.020 1 1876 170 171 VAL HG1 H 0.573 0.020 2 1877 170 171 VAL HG2 H 0.083 0.020 2 1878 170 171 VAL C C 175.997 0.300 1 1879 170 171 VAL CA C 60.770 0.300 1 1880 170 171 VAL CB C 34.216 0.300 1 1881 170 171 VAL CG1 C 21.180 0.300 1 1882 170 171 VAL CG2 C 19.965 0.300 1 1883 170 171 VAL N N 125.540 0.300 1 1884 171 172 ASN H H 9.437 0.020 1 1885 171 172 ASN HA H 4.065 0.020 1 1886 171 172 ASN HB2 H 1.562 0.020 2 1887 171 172 ASN HB3 H 2.836 0.020 2 1888 171 172 ASN C C 174.266 0.300 1 1889 171 172 ASN CA C 53.184 0.300 1 1890 171 172 ASN CB C 37.436 0.300 1 1891 171 172 ASN N N 126.811 0.300 1 1892 172 173 GLY H H 8.194 0.020 1 1893 172 173 GLY HA2 H 3.264 0.020 2 1894 172 173 GLY HA3 H 3.656 0.020 2 1895 172 173 GLY C C 173.335 0.300 1 1896 172 173 GLY CA C 45.154 0.300 1 1897 172 173 GLY N N 100.629 0.300 1 1898 173 174 HIS H H 7.657 0.020 1 1899 173 174 HIS HA H 4.860 0.020 1 1900 173 174 HIS HB2 H 3.026 0.020 1 1901 173 174 HIS HB3 H 3.026 0.020 1 1902 173 174 HIS HD2 H 6.912 0.020 1 1903 173 174 HIS HE1 H 7.780 0.020 1 1904 173 174 HIS CA C 53.723 0.300 1 1905 173 174 HIS CB C 31.589 0.300 1 1906 173 174 HIS CD2 C 119.377 0.300 1 1907 173 174 HIS CE1 C 138.468 0.300 1 1908 173 174 HIS N N 119.555 0.300 1 1909 173 174 HIS ND1 N 226.101 0.300 1 1910 173 174 HIS NE2 N 178.160 0.300 1 1911 174 175 ASN H H 8.828 0.020 1 1912 174 175 ASN HA H 4.794 0.020 1 1913 174 175 ASN HB2 H 2.613 0.020 1 1914 174 175 ASN HB3 H 2.613 0.020 1 1915 174 175 ASN HD21 H 6.278 0.020 2 1916 174 175 ASN HD22 H 7.314 0.020 2 1917 174 175 ASN C C 174.918 0.300 1 1918 174 175 ASN CA C 53.748 0.300 1 1919 174 175 ASN CB C 38.185 0.300 1 1920 174 175 ASN N N 122.936 0.300 1 1921 174 175 ASN ND2 N 112.122 0.300 1 1922 175 176 CYS H H 9.078 0.020 1 1923 175 176 CYS HA H 4.872 0.020 1 1924 175 176 CYS HB2 H 2.816 0.020 2 1925 175 176 CYS HB3 H 2.911 0.020 2 1926 175 176 CYS HG H 1.976 0.020 1 1927 175 176 CYS C C 173.853 0.300 1 1928 175 176 CYS CA C 59.380 0.300 1 1929 175 176 CYS CB C 29.966 0.300 1 1930 175 176 CYS N N 126.425 0.300 1 1931 176 177 GLU H H 8.161 0.020 1 1932 176 177 GLU HA H 4.661 0.020 1 1933 176 177 GLU HB2 H 1.954 0.020 1 1934 176 177 GLU HB3 H 1.954 0.020 1 1935 176 177 GLU HG2 H 2.047 0.020 2 1936 176 177 GLU HG3 H 2.097 0.020 2 1937 176 177 GLU C C 175.343 0.300 1 1938 176 177 GLU CA C 55.296 0.300 1 1939 176 177 GLU CB C 31.550 0.300 1 1940 176 177 GLU CG C 36.461 0.300 1 1941 176 177 GLU N N 124.488 0.300 1 1942 177 178 VAL H H 8.684 0.020 1 1943 177 178 VAL HA H 5.628 0.020 1 1944 177 178 VAL HB H 1.930 0.020 1 1945 177 178 VAL HG1 H 0.808 0.020 2 1946 177 178 VAL HG2 H 0.965 0.020 2 1947 177 178 VAL C C 175.720 0.300 1 1948 177 178 VAL CA C 59.713 0.300 1 1949 177 178 VAL CB C 34.523 0.300 1 1950 177 178 VAL CG1 C 22.689 0.300 1 1951 177 178 VAL CG2 C 22.007 0.300 1 1952 177 178 VAL N N 122.521 0.300 1 1953 178 179 ARG H H 8.701 0.020 1 1954 178 179 ARG HA H 4.746 0.020 1 1955 178 179 ARG HB2 H 1.690 0.020 2 1956 178 179 ARG HB3 H 2.073 0.020 2 1957 178 179 ARG HG2 H 1.595 0.020 2 1958 178 179 ARG HG3 H 1.442 0.020 2 1959 178 179 ARG HD2 H 3.017 0.020 2 1960 178 179 ARG HD3 H 2.935 0.020 2 1961 178 179 ARG C C 175.689 0.300 1 1962 178 179 ARG CA C 54.212 0.300 1 1963 178 179 ARG CB C 34.184 0.300 1 1964 178 179 ARG CG C 26.861 0.300 1 1965 178 179 ARG CD C 43.322 0.300 1 1966 178 179 ARG N N 119.915 0.300 1 1967 179 180 LYS H H 8.990 0.020 1 1968 179 180 LYS HA H 4.098 0.020 1 1969 179 180 LYS HB2 H 1.767 0.020 2 1970 179 180 LYS HB3 H 1.665 0.020 2 1971 179 180 LYS HG2 H 1.619 0.020 2 1972 179 180 LYS HG3 H 1.132 0.020 2 1973 179 180 LYS HD2 H 1.633 0.020 2 1974 179 180 LYS HD3 H 1.750 0.020 2 1975 179 180 LYS HE2 H 2.973 0.020 1 1976 179 180 LYS HE3 H 2.973 0.020 1 1977 179 180 LYS C C 176.026 0.300 1 1978 179 180 LYS CA C 59.027 0.300 1 1979 179 180 LYS CB C 33.377 0.300 1 1980 179 180 LYS CG C 27.388 0.300 1 1981 179 180 LYS CD C 29.916 0.300 1 1982 179 180 LYS CE C 42.310 0.300 1 1983 179 180 LYS N N 121.001 0.300 1 1984 180 181 ALA H H 8.378 0.020 1 1985 180 181 ALA HA H 4.565 0.020 1 1986 180 181 ALA HB H 1.287 0.020 1 1987 180 181 ALA C C 175.318 0.300 1 1988 180 181 ALA CA C 51.432 0.300 1 1989 180 181 ALA CB C 19.201 0.300 1 1990 180 181 ALA N N 126.810 0.300 1 1991 181 182 LEU H H 8.001 0.020 1 1992 181 182 LEU HA H 4.401 0.020 1 1993 181 182 LEU HB2 H 1.546 0.020 1 1994 181 182 LEU HB3 H 1.546 0.020 1 1995 181 182 LEU HG H 1.543 0.020 1 1996 181 182 LEU HD1 H 0.820 0.020 2 1997 181 182 LEU HD2 H 0.786 0.020 2 1998 181 182 LEU CA C 54.737 0.300 1 1999 181 182 LEU CB C 43.199 0.300 1 2000 181 182 LEU CG C 27.390 0.300 1 2001 181 182 LEU CD1 C 25.203 0.300 1 2002 181 182 LEU CD2 C 23.942 0.300 1 2003 181 182 LEU N N 122.300 0.300 1 2004 182 183 SER HA H 4.406 0.020 1 2005 182 183 SER HB2 H 3.827 0.020 2 2006 182 183 SER HB3 H 3.938 0.020 2 2007 182 183 SER CA C 58.100 0.300 1 2008 182 183 SER CB C 64.440 0.300 1 2009 183 184 LYS HA H 4.101 0.020 1 2010 183 184 LYS HB2 H 1.733 0.020 1 2011 183 184 LYS HB3 H 1.733 0.020 1 2012 183 184 LYS HG2 H 1.371 0.020 1 2013 183 184 LYS HG3 H 1.371 0.020 1 2014 183 184 LYS HD2 H 1.604 0.020 1 2015 183 184 LYS HD3 H 1.604 0.020 1 2016 183 184 LYS HE2 H 2.901 0.020 1 2017 183 184 LYS HE3 H 2.901 0.020 1 2018 183 184 LYS C C 177.343 0.300 1 2019 183 184 LYS CA C 57.744 0.300 1 2020 183 184 LYS CB C 32.586 0.300 1 2021 183 184 LYS CG C 24.792 0.300 1 2022 183 184 LYS CD C 29.181 0.300 1 2023 183 184 LYS CE C 42.041 0.300 1 2024 184 185 GLN H H 8.320 0.020 1 2025 184 185 GLN HA H 4.167 0.020 1 2026 184 185 GLN HB2 H 1.955 0.020 1 2027 184 185 GLN HB3 H 1.955 0.020 1 2028 184 185 GLN HG2 H 2.299 0.020 1 2029 184 185 GLN HG3 H 2.299 0.020 1 2030 184 185 GLN HE21 H 6.774 0.020 2 2031 184 185 GLN HE22 H 7.483 0.020 2 2032 184 185 GLN C C 176.718 0.300 1 2033 184 185 GLN CA C 56.981 0.300 1 2034 184 185 GLN CB C 28.990 0.300 1 2035 184 185 GLN CG C 33.999 0.300 1 2036 184 185 GLN N N 120.056 0.300 1 2037 184 185 GLN NE2 N 112.421 0.300 1 2038 185 186 GLU H H 8.143 0.020 1 2039 185 186 GLU HA H 4.132 0.020 1 2040 185 186 GLU HB2 H 1.957 0.020 1 2041 185 186 GLU HB3 H 1.957 0.020 1 2042 185 186 GLU HG2 H 2.189 0.020 1 2043 185 186 GLU HG3 H 2.189 0.020 1 2044 185 186 GLU C C 177.117 0.300 1 2045 185 186 GLU CA C 57.234 0.300 1 2046 185 186 GLU CB C 30.235 0.300 1 2047 185 186 GLU CG C 36.560 0.300 1 2048 185 186 GLU N N 121.610 0.300 1 2049 186 187 MET H H 8.195 0.020 1 2050 186 187 MET HA H 4.289 0.020 1 2051 186 187 MET HB2 H 2.023 0.020 2 2052 186 187 MET HB3 H 1.949 0.020 2 2053 186 187 MET HG2 H 2.437 0.020 2 2054 186 187 MET HG3 H 2.535 0.020 2 2055 186 187 MET HE H 1.985 0.020 1 2056 186 187 MET C C 176.438 0.300 1 2057 186 187 MET CA C 56.069 0.300 1 2058 186 187 MET CB C 32.847 0.300 1 2059 186 187 MET CG C 32.167 0.300 1 2060 186 187 MET CE C 16.898 0.300 1 2061 186 187 MET N N 120.092 0.300 1 2062 187 188 ALA H H 8.060 0.020 1 2063 187 188 ALA HA H 4.297 0.020 1 2064 187 188 ALA HB H 1.369 0.020 1 2065 187 188 ALA C C 178.107 0.300 1 2066 187 188 ALA CA C 52.912 0.300 1 2067 187 188 ALA CB C 19.060 0.300 1 2068 187 188 ALA N N 124.104 0.300 1 2069 188 189 SER H H 8.173 0.020 1 2070 188 189 SER HA H 4.357 0.020 1 2071 188 189 SER HB2 H 3.851 0.020 1 2072 188 189 SER HB3 H 3.851 0.020 1 2073 188 189 SER C C 174.757 0.300 1 2074 188 189 SER CA C 58.598 0.300 1 2075 188 189 SER CB C 63.734 0.300 1 2076 188 189 SER N N 114.374 0.300 1 2077 189 190 ALA H H 8.207 0.020 1 2078 189 190 ALA HA H 4.246 0.020 1 2079 189 190 ALA HB H 1.363 0.020 1 2080 189 190 ALA CA C 53.015 0.300 1 2081 189 190 ALA CB C 19.069 0.300 1 2082 189 190 ALA N N 125.637 0.300 1 stop_ save_