data_19248 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of SRSF1 RRM2 in complex with the RNA 5'-UGAAGGAC-3' ; _BMRB_accession_number 19248 _BMRB_flat_file_name bmr19248.str _Entry_type original _Submission_date 2013-05-17 _Accession_date 2013-05-17 _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 Clery Antoine . . 2 Sinha Rahul . . 3 Anczukow Olga . . 4 Corrionero Anna . . 5 Moursy Ahmed . . 6 Daubner Gerrit . . 7 Valcarcel Juan . . 8 Krainer Adrian R. . 9 Allain Frederic HT . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 558 "13C chemical shifts" 271 "15N chemical shifts" 89 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-08-08 update BMRB 'update entry citation' 2013-07-08 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Isolated pseudo-RNA-recognition motifs of SR proteins can regulate splicing using a noncanonical mode of RNA recognition.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23836656 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Clery Antoine . . 2 Sinha Rahul . . 3 Anczukow Olga . . 4 Corrionero Anna . . 5 Moursy Ahmed . . 6 Daubner Gerrit M. . 7 Valcarcel Juan . . 8 Krainer Adrian R. . 9 Allain 'Frederic H-T' . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Journal_volume 110 _Journal_issue 30 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first E2802 _Page_last E2811 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'SRSF1 RRM2 in complex with the RNA 5'-UGAAGGAC-3'' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label RNA_5'-UGAAGGAC-3 $RNA_5'-UGAAGGAC-3 SRSF1_RRM2 $SRSF1_RRM2 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_RNA_5'-UGAAGGAC-3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common RNA_5'-UGAAGGAC-3 _Molecular_mass 2589.643 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 8 _Mol_residue_sequence UGAAGGAC loop_ _Residue_seq_code _Residue_label 1 U 2 G 3 A 4 A 5 G 6 G 7 A 8 C stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_SRSF1_RRM2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SRSF1_RRM2 _Molecular_mass 10338.676 _Mol_thiol_state . _Details . _Residue_count 91 _Mol_residue_sequence ; MAPRGRYGPPSRRSENRVVV SGLPPSGSWQDLKDHMREAG DVCYADVYRDGTGVVEFVRK EDMTYAVRKLDNTKFRSHEG ETAYIRVKVDG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 106 MET 2 107 ALA 3 108 PRO 4 109 ARG 5 110 GLY 6 111 ARG 7 112 TYR 8 113 GLY 9 114 PRO 10 115 PRO 11 116 SER 12 117 ARG 13 118 ARG 14 119 SER 15 120 GLU 16 121 ASN 17 122 ARG 18 123 VAL 19 124 VAL 20 125 VAL 21 126 SER 22 127 GLY 23 128 LEU 24 129 PRO 25 130 PRO 26 131 SER 27 132 GLY 28 133 SER 29 134 TRP 30 135 GLN 31 136 ASP 32 137 LEU 33 138 LYS 34 139 ASP 35 140 HIS 36 141 MET 37 142 ARG 38 143 GLU 39 144 ALA 40 145 GLY 41 146 ASP 42 147 VAL 43 148 CYS 44 149 TYR 45 150 ALA 46 151 ASP 47 152 VAL 48 153 TYR 49 154 ARG 50 155 ASP 51 156 GLY 52 157 THR 53 158 GLY 54 159 VAL 55 160 VAL 56 161 GLU 57 162 PHE 58 163 VAL 59 164 ARG 60 165 LYS 61 166 GLU 62 167 ASP 63 168 MET 64 169 THR 65 170 TYR 66 171 ALA 67 172 VAL 68 173 ARG 69 174 LYS 70 175 LEU 71 176 ASP 72 177 ASN 73 178 THR 74 179 LYS 75 180 PHE 76 181 ARG 77 182 SER 78 183 HIS 79 184 GLU 80 185 GLY 81 186 GLU 82 187 THR 83 188 ALA 84 189 TYR 85 190 ILE 86 191 ARG 87 192 VAL 88 193 LYS 89 194 VAL 90 195 ASP 91 196 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-04 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 19203 RRM2 97.80 90 100.00 100.00 2.69e-57 PDB 1X4C "Solution Structure Of Rrm Domain In Splicing Factor 2" 92.31 108 100.00 100.00 1.61e-53 PDB 2M7S "Nmr Structure Of Rna Recognition Motif 2 (rrm2) Of Homo Sapiens Splicing Factor, Arginine/serine-rich 1" 97.80 90 100.00 100.00 2.69e-57 PDB 2M8D "Structure Of Srsf1 Rrm2 In Complex With The Rna 5'-ugaaggac-3'" 100.00 91 100.00 100.00 4.44e-59 PDB 2O3D "Structure Of Human Sf2ASF RNA RECOGNITION MOTIF 2 (RRM2)" 100.00 113 100.00 100.00 4.16e-59 PDB 3BEG "Crystal Structure Of Sr Protein Kinase 1 Complexed To Its Substrate Asf/sf2" 98.90 115 100.00 100.00 3.22e-58 PDB 4C0O "Transportin 3 In Complex With Phosphorylated Asf/sf2" 98.90 125 100.00 100.00 3.48e-58 DBJ BAB93456 "OK/SW-cl.3 [Homo sapiens]" 98.90 248 100.00 100.00 6.00e-56 DBJ BAC37367 "unnamed protein product [Mus musculus]" 85.71 201 100.00 100.00 2.37e-47 DBJ BAE29641 "unnamed protein product [Mus musculus]" 98.90 248 100.00 100.00 6.00e-56 DBJ BAE88160 "unnamed protein product [Macaca fascicularis]" 98.90 182 100.00 100.00 5.96e-58 DBJ BAF82622 "unnamed protein product [Homo sapiens]" 98.90 248 98.89 98.89 1.75e-55 EMBL CAH92288 "hypothetical protein [Pongo abelii]" 98.90 248 100.00 100.00 6.40e-56 GB AAA03476 "SF2p33 [Homo sapiens]" 98.90 248 100.00 100.00 6.00e-56 GB AAA35564 "alternative [Homo sapiens]" 85.71 292 100.00 100.00 5.26e-47 GB AAA35565 "alternative [Homo sapiens]" 98.90 248 100.00 100.00 6.00e-56 GB AAH10264 "Splicing factor, arginine/serine-rich 1 [Homo sapiens]" 98.90 248 100.00 100.00 6.00e-56 GB AAH42354 "Sfrs1 protein, partial [Xenopus laevis]" 98.90 283 97.78 98.89 3.60e-54 REF NP_001006919 "serine/arginine-rich splicing factor 1 [Xenopus (Silurana) tropicalis]" 98.90 267 97.78 98.89 3.23e-54 REF NP_001033096 "serine/arginine-rich splicing factor 1 [Sus scrofa]" 98.90 248 100.00 100.00 6.00e-56 REF NP_001069862 "serine/arginine-rich splicing factor 1 [Bos taurus]" 98.90 248 100.00 100.00 6.00e-56 REF NP_001071635 "serine/arginine-rich splicing factor 1 isoform 2 [Mus musculus]" 85.71 201 100.00 100.00 2.37e-47 REF NP_001103022 "serine/arginine-rich splicing factor 1 [Rattus norvegicus]" 98.90 248 100.00 100.00 6.00e-56 SP Q07955 "RecName: Full=Serine/arginine-rich splicing factor 1; AltName: Full=Alternative-splicing factor 1; Short=ASF-1; AltName: Full=S" 98.90 248 100.00 100.00 6.00e-56 SP Q0VCY7 "RecName: Full=Serine/arginine-rich splicing factor 1; AltName: Full=Splicing factor, arginine/serine-rich 1" 98.90 248 100.00 100.00 6.00e-56 SP Q3YLA6 "RecName: Full=Serine/arginine-rich splicing factor 1; AltName: Full=Splicing factor, arginine/serine-rich 1" 98.90 248 100.00 100.00 6.00e-56 SP Q5R7H2 "RecName: Full=Serine/arginine-rich splicing factor 1; AltName: Full=Splicing factor, arginine/serine-rich 1" 98.90 248 100.00 100.00 6.40e-56 SP Q6DII2 "RecName: Full=Serine/arginine-rich splicing factor 1; AltName: Full=Splicing factor, arginine/serine-rich 1" 98.90 267 97.78 98.89 3.23e-54 TPG DAA19172 "TPA: splicing factor, arginine/serine-rich 1 [Bos taurus]" 98.90 248 100.00 100.00 6.00e-56 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $RNA_5'-UGAAGGAC-3 . . . . . . $SRSF1_RRM2 Human 9606 Eukaryota Metazoa . . 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 $RNA_5'-UGAAGGAC-3 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SRSF1_RRM2 0.8 mM '[U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SRSF1_RRM2 0.8 mM '[U-100% 13C; U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 273 . K pH 5.5 . pH pressure 1 . atm 'ionic strength' 120 . mM 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 water H 1 protons ppm 4.7 internal direct . . . 1.0 water C 13 protons ppm 4.7 internal direct . . . 1.0 water N 15 protons ppm 4.7 internal direct . . . 1.0 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name RNA_5'-UGAAGGAC-3 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 U H1' H 5.890 . . 2 1 1 U H2' H 4.398 . . 3 1 1 U H3' H 4.615 . . 4 1 1 U H4' H 4.250 . . 5 1 1 U H5 H 5.859 . . 6 1 1 U H5' H 3.793 . . 7 1 1 U H5'' H 4.090 . . 8 1 1 U H6 H 7.821 . . 9 2 2 G H1' H 5.809 . . 10 2 2 G H2' H 4.808 . . 11 2 2 G H3' H 4.871 . . 12 2 2 G H4' H 4.483 . . 13 2 2 G H5' H 4.205 . . 14 2 2 G H5'' H 4.226 . . 15 2 2 G H8 H 8.017 . . 16 3 3 A H1' H 6.033 . . 17 3 3 A H2 H 8.157 . . 18 3 3 A H2' H 4.831 . . 19 3 3 A H3' H 4.924 . . 20 3 3 A H4' H 4.583 . . 21 3 3 A H5' H 4.314 . . 22 3 3 A H5'' H 4.246 . . 23 3 3 A H8 H 8.382 . . 24 4 4 A H1' H 6.197 . . 25 4 4 A H2 H 8.152 . . 26 4 4 A H2' H 5.011 . . 27 4 4 A H3' H 5.043 . . 28 4 4 A H4' H 4.668 . . 29 4 4 A H5' H 4.404 . . 30 4 4 A H5'' H 4.423 . . 31 4 4 A H8 H 8.483 . . 32 5 5 G H1' H 5.933 . . 33 5 5 G H2' H 4.557 . . 34 5 5 G H3' H 5.023 . . 35 5 5 G H4' H 4.339 . . 36 5 5 G H5' H 4.389 . . 37 5 5 G H5'' H 4.394 . . 38 5 5 G H8 H 8.274 . . 39 6 6 G H1' H 5.762 . . 40 6 6 G H2' H 4.921 . . 41 6 6 G H3' H 5.071 . . 42 6 6 G H4' H 4.529 . . 43 6 6 G H5' H 4.108 . . 44 6 6 G H5'' H 4.247 . . 45 6 6 G H8 H 8.165 . . 46 7 7 A H1' H 6.121 . . 47 7 7 A H2 H 7.904 . . 48 7 7 A H2' H 4.689 . . 49 7 7 A H3' H 4.829 . . 50 7 7 A H4' H 4.626 . . 51 7 7 A H5' H 4.367 . . 52 7 7 A H5'' H 4.261 . . 53 7 7 A H8 H 8.401 . . 54 8 8 C H1' H 5.933 . . 55 8 8 C H2' H 4.338 . . 56 8 8 C H3' H 4.395 . . 57 8 8 C H4' H 4.250 . . 58 8 8 C H5 H 6.134 . . 59 8 8 C H6 H 7.947 . . stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name SRSF1_RRM2 _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 1 107 2 ALA HB H 1.414 . . 2 107 2 ALA CB C 18.280 . . 3 108 3 PRO HA H 4.503 . . 4 108 3 PRO HB2 H 1.976 . . 5 108 3 PRO HB3 H 2.337 . . 6 108 3 PRO HG2 H 2.086 . . 7 108 3 PRO HG3 H 2.086 . . 8 108 3 PRO HD2 H 3.845 . . 9 108 3 PRO HD3 H 3.677 . . 10 108 3 PRO CA C 63.296 . . 11 108 3 PRO CB C 32.066 . . 12 108 3 PRO CG C 27.447 . . 13 108 3 PRO CD C 50.286 . . 14 109 4 ARG H H 8.410 . . 15 109 4 ARG HA H 4.394 . . 16 109 4 ARG HB2 H 1.956 . . 17 109 4 ARG HB3 H 1.849 . . 18 109 4 ARG HG2 H 1.719 . . 19 109 4 ARG HD2 H 3.246 . . 20 109 4 ARG HD3 H 3.246 . . 21 109 4 ARG CA C 56.338 . . 22 109 4 ARG CB C 31.060 . . 23 109 4 ARG CG C 27.253 . . 24 109 4 ARG CD C 43.540 . . 25 109 4 ARG N N 120.741 . . 26 110 5 GLY H H 8.371 . . 27 110 5 GLY HA2 H 4.030 . . 28 110 5 GLY HA3 H 3.990 . . 29 110 5 GLY CA C 45.403 . . 30 110 5 GLY N N 109.700 . . 31 111 6 ARG H H 8.066 . . 32 111 6 ARG HA H 4.282 . . 33 111 6 ARG HB2 H 1.661 . . 34 111 6 ARG HB3 H 1.661 . . 35 111 6 ARG HG2 H 1.451 . . 36 111 6 ARG HG3 H 1.451 . . 37 111 6 ARG HD2 H 3.123 . . 38 111 6 ARG HD3 H 3.123 . . 39 111 6 ARG CA C 56.364 . . 40 111 6 ARG CB C 30.961 . . 41 111 6 ARG CG C 26.903 . . 42 111 6 ARG CD C 43.470 . . 43 111 6 ARG N N 120.579 . . 44 112 7 TYR H H 8.300 . . 45 112 7 TYR HA H 4.298 . . 46 112 7 TYR HB2 H 3.143 . . 47 112 7 TYR HB3 H 2.881 . . 48 112 7 TYR HD1 H 7.043 . . 49 112 7 TYR HD2 H 7.043 . . 50 112 7 TYR HE1 H 6.776 . . 51 112 7 TYR HE2 H 6.776 . . 52 112 7 TYR CB C 39.124 . . 53 112 7 TYR CD1 C 133.116 . . 54 112 7 TYR CE1 C 118.103 . . 55 112 7 TYR N N 120.475 . . 56 113 8 GLY H H 8.056 . . 57 113 8 GLY HA2 H 3.735 . . 58 113 8 GLY HA3 H 4.233 . . 59 113 8 GLY CA C 44.567 . . 60 113 8 GLY N N 109.803 . . 61 115 10 PRO HA H 4.573 . . 62 115 10 PRO HB3 H 2.236 . . 63 115 10 PRO HG2 H 1.982 . . 64 115 10 PRO CG C 27.459 . . 65 116 11 SER H H 8.464 . . 66 116 11 SER HA H 4.583 . . 67 116 11 SER HB2 H 3.942 . . 68 116 11 SER HB3 H 3.858 . . 69 116 11 SER CA C 58.803 . . 70 116 11 SER CB C 63.984 . . 71 116 11 SER N N 116.657 . . 72 117 12 ARG H H 8.205 . . 73 117 12 ARG HA H 4.451 . . 74 117 12 ARG HB2 H 1.958 . . 75 117 12 ARG HB3 H 1.778 . . 76 117 12 ARG HG2 H 1.623 . . 77 117 12 ARG HG3 H 1.623 . . 78 117 12 ARG HD2 H 3.164 . . 79 117 12 ARG HD3 H 3.164 . . 80 117 12 ARG CA C 55.572 . . 81 117 12 ARG CB C 31.660 . . 82 117 12 ARG CG C 26.491 . . 83 117 12 ARG CD C 43.114 . . 84 117 12 ARG N N 121.211 . . 85 118 13 ARG H H 7.837 . . 86 118 13 ARG HA H 4.745 . . 87 118 13 ARG HB2 H 1.506 . . 88 118 13 ARG HB3 H 1.958 . . 89 118 13 ARG HG2 H 1.382 . . 90 118 13 ARG HG3 H 1.168 . . 91 118 13 ARG HD2 H 2.329 . . 92 118 13 ARG HD3 H 2.329 . . 93 118 13 ARG HE H 8.703 . . 94 118 13 ARG CA C 52.854 . . 95 118 13 ARG CB C 30.855 . . 96 118 13 ARG CG C 26.318 . . 97 118 13 ARG CD C 39.483 . . 98 118 13 ARG N N 117.218 . . 99 119 14 SER H H 8.847 . . 100 119 14 SER HA H 4.733 . . 101 119 14 SER HB2 H 4.222 . . 102 119 14 SER HB3 H 3.822 . . 103 119 14 SER CA C 57.200 . . 104 119 14 SER CB C 67.159 . . 105 119 14 SER N N 117.295 . . 106 120 15 GLU H H 8.548 . . 107 120 15 GLU HA H 4.493 . . 108 120 15 GLU HB2 H 2.357 . . 109 120 15 GLU HB3 H 1.990 . . 110 120 15 GLU HG2 H 2.370 . . 111 120 15 GLU HG3 H 2.300 . . 112 120 15 GLU CA C 55.677 . . 113 120 15 GLU CB C 29.663 . . 114 120 15 GLU CG C 36.112 . . 115 120 15 GLU N N 115.362 . . 116 121 16 ASN H H 8.360 . . 117 121 16 ASN HA H 5.159 . . 118 121 16 ASN HB2 H 3.599 . . 119 121 16 ASN HB3 H 2.773 . . 120 121 16 ASN HD21 H 6.719 . . 121 121 16 ASN HD22 H 7.056 . . 122 121 16 ASN CA C 52.785 . . 123 121 16 ASN CB C 37.049 . . 124 121 16 ASN N N 120.690 . . 125 121 16 ASN ND2 N 113.658 . . 126 122 17 ARG H H 7.887 . . 127 122 17 ARG HA H 5.517 . . 128 122 17 ARG HB2 H 1.949 . . 129 122 17 ARG HB3 H 1.835 . . 130 122 17 ARG HG2 H 1.711 . . 131 122 17 ARG HG3 H 1.643 . . 132 122 17 ARG HD2 H 3.421 . . 133 122 17 ARG HD3 H 3.421 . . 134 122 17 ARG CA C 55.733 . . 135 122 17 ARG CB C 34.350 . . 136 122 17 ARG CG C 28.811 . . 137 122 17 ARG CD C 43.618 . . 138 122 17 ARG N N 123.985 . . 139 123 18 VAL H H 9.356 . . 140 123 18 VAL HA H 5.144 . . 141 123 18 VAL HB H 2.306 . . 142 123 18 VAL HG1 H 1.093 . . 143 123 18 VAL HG2 H 1.004 . . 144 123 18 VAL CA C 59.181 . . 145 123 18 VAL CB C 34.248 . . 146 123 18 VAL CG1 C 21.114 . . 147 123 18 VAL CG2 C 23.140 . . 148 123 18 VAL N N 118.617 . . 149 124 19 VAL H H 9.319 . . 150 124 19 VAL HA H 5.145 . . 151 124 19 VAL HB H 2.105 . . 152 124 19 VAL HG1 H 1.106 . . 153 124 19 VAL HG2 H 0.996 . . 154 124 19 VAL CA C 60.524 . . 155 124 19 VAL CB C 34.208 . . 156 124 19 VAL CG1 C 21.038 . . 157 124 19 VAL CG2 C 23.101 . . 158 124 19 VAL N N 120.579 . . 159 125 20 VAL H H 8.873 . . 160 125 20 VAL HA H 5.559 . . 161 125 20 VAL HB H 1.756 . . 162 125 20 VAL HG1 H 1.010 . . 163 125 20 VAL HG2 H 0.951 . . 164 125 20 VAL CA C 59.458 . . 165 125 20 VAL N N 125.776 . . 166 126 21 SER H H 9.078 . . 167 126 21 SER HA H 5.260 . . 168 126 21 SER HB2 H 3.999 . . 169 126 21 SER HB3 H 3.862 . . 170 126 21 SER CA C 57.085 . . 171 126 21 SER CB C 66.140 . . 172 126 21 SER N N 118.064 . . 173 127 22 GLY H H 8.232 . . 174 127 22 GLY HA2 H 4.525 . . 175 127 22 GLY HA3 H 3.848 . . 176 127 22 GLY N N 108.397 . . 177 128 23 LEU H H 8.532 . . 178 128 23 LEU HA H 3.660 . . 179 128 23 LEU HB2 H 1.456 . . 180 128 23 LEU HB3 H 1.077 . . 181 128 23 LEU HG H 1.140 . . 182 128 23 LEU HD1 H -0.120 . . 183 128 23 LEU HD2 H 0.519 . . 184 128 23 LEU CA C 53.752 . . 185 128 23 LEU CB C 40.915 . . 186 128 23 LEU CG C 27.214 . . 187 128 23 LEU CD1 C 23.537 . . 188 128 23 LEU CD2 C 25.959 . . 189 128 23 LEU N N 119.218 . . 190 129 24 PRO HD3 H 3.334 . . 191 130 25 PRO HA H 4.445 . . 192 130 25 PRO HB2 H 2.153 . . 193 130 25 PRO HB3 H 2.503 . . 194 130 25 PRO HG2 H 2.370 . . 195 130 25 PRO HG3 H 2.152 . . 196 130 25 PRO HD2 H 3.976 . . 197 130 25 PRO HD3 H 3.976 . . 198 130 25 PRO CA C 65.695 . . 199 130 25 PRO CB C 31.846 . . 200 130 25 PRO CG C 27.865 . . 201 130 25 PRO CD C 50.813 . . 202 131 26 SER H H 7.452 . . 203 131 26 SER HA H 4.517 . . 204 131 26 SER HB2 H 3.967 . . 205 131 26 SER HB3 H 3.880 . . 206 131 26 SER CA C 58.150 . . 207 131 26 SER CB C 63.944 . . 208 131 26 SER N N 106.337 . . 209 132 27 GLY H H 8.279 . . 210 132 27 GLY HA2 H 4.711 . . 211 132 27 GLY HA3 H 3.359 . . 212 132 27 GLY CA C 47.162 . . 213 132 27 GLY N N 107.761 . . 214 133 28 SER H H 8.760 . . 215 133 28 SER HA H 5.073 . . 216 133 28 SER HB2 H 4.257 . . 217 133 28 SER HB3 H 4.107 . . 218 133 28 SER CA C 55.741 . . 219 133 28 SER CB C 67.424 . . 220 133 28 SER N N 122.749 . . 221 134 29 TRP H H 8.888 . . 222 134 29 TRP HA H 4.080 . . 223 134 29 TRP HB2 H 3.245 . . 224 134 29 TRP HB3 H 3.153 . . 225 134 29 TRP HD1 H 7.423 . . 226 134 29 TRP HE1 H 9.749 . . 227 134 29 TRP HE3 H 6.606 . . 228 134 29 TRP HZ2 H 6.756 . . 229 134 29 TRP HZ3 H 5.957 . . 230 134 29 TRP HH2 H 5.843 . . 231 134 29 TRP CA C 60.619 . . 232 134 29 TRP CB C 27.793 . . 233 134 29 TRP CD1 C 129.418 . . 234 134 29 TRP CE3 C 119.685 . . 235 134 29 TRP CZ2 C 114.436 . . 236 134 29 TRP CZ3 C 120.086 . . 237 134 29 TRP CH2 C 121.566 . . 238 134 29 TRP N N 119.608 . . 239 134 29 TRP NE1 N 129.630 . . 240 135 30 GLN H H 7.603 . . 241 135 30 GLN HA H 2.509 . . 242 135 30 GLN HB2 H 0.944 . . 243 135 30 GLN HB3 H 0.912 . . 244 135 30 GLN HG2 H 0.529 . . 245 135 30 GLN HG3 H -1.395 . . 246 135 30 GLN CA C 61.477 . . 247 135 30 GLN CB C 26.307 . . 248 135 30 GLN CG C 31.902 . . 249 135 30 GLN N N 124.700 . . 250 136 31 ASP H H 7.501 . . 251 136 31 ASP HA H 4.266 . . 252 136 31 ASP HB2 H 3.431 . . 253 136 31 ASP HB3 H 2.973 . . 254 136 31 ASP CA C 56.666 . . 255 136 31 ASP CB C 42.236 . . 256 136 31 ASP N N 118.297 . . 257 137 32 LEU H H 8.539 . . 258 137 32 LEU HA H 4.357 . . 259 137 32 LEU HB2 H 2.013 . . 260 137 32 LEU HB3 H 1.315 . . 261 137 32 LEU HG H 0.760 . . 262 137 32 LEU HD1 H 0.928 . . 263 137 32 LEU HD2 H 0.501 . . 264 137 32 LEU CA C 58.041 . . 265 137 32 LEU CB C 42.037 . . 266 137 32 LEU CG C 26.898 . . 267 137 32 LEU CD1 C 23.628 . . 268 137 32 LEU CD2 C 25.957 . . 269 137 32 LEU N N 122.090 . . 270 138 33 LYS H H 8.806 . . 271 138 33 LYS HA H 3.599 . . 272 138 33 LYS HB2 H 2.166 . . 273 138 33 LYS HB3 H 1.991 . . 274 138 33 LYS HG2 H 1.410 . . 275 138 33 LYS HG3 H 1.410 . . 276 138 33 LYS HD2 H 1.496 . . 277 138 33 LYS HD3 H 1.395 . . 278 138 33 LYS HE2 H 3.431 . . 279 138 33 LYS HE3 H 3.431 . . 280 138 33 LYS CA C 62.299 . . 281 138 33 LYS CB C 33.292 . . 282 138 33 LYS CG C 24.080 . . 283 138 33 LYS CD C 28.093 . . 284 138 33 LYS CE C 43.768 . . 285 138 33 LYS N N 122.561 . . 286 139 34 ASP H H 8.260 . . 287 139 34 ASP HA H 4.490 . . 288 139 34 ASP HB2 H 3.026 . . 289 139 34 ASP HB3 H 2.869 . . 290 139 34 ASP CA C 57.599 . . 291 139 34 ASP CB C 40.039 . . 292 139 34 ASP N N 115.964 . . 293 140 35 HIS H H 8.077 . . 294 140 35 HIS HA H 4.342 . . 295 140 35 HIS HB2 H 3.435 . . 296 140 35 HIS HB3 H 3.398 . . 297 140 35 HIS HD2 H 6.989 . . 298 140 35 HIS HE1 H 7.927 . . 299 140 35 HIS CA C 60.328 . . 300 140 35 HIS CB C 32.864 . . 301 140 35 HIS CD2 C 117.915 . . 302 140 35 HIS CE1 C 140.075 . . 303 140 35 HIS N N 119.340 . . 304 141 36 MET H H 8.201 . . 305 141 36 MET HA H 4.713 . . 306 141 36 MET HB2 H 2.261 . . 307 141 36 MET HB3 H 2.148 . . 308 141 36 MET HG2 H 3.091 . . 309 141 36 MET HG3 H 2.878 . . 310 141 36 MET HE H 2.158 . . 311 141 36 MET CA C 55.560 . . 312 141 36 MET CB C 31.867 . . 313 141 36 MET CG C 33.954 . . 314 141 36 MET CE C 18.243 . . 315 141 36 MET N N 112.497 . . 316 142 37 ARG H H 8.079 . . 317 142 37 ARG HA H 5.008 . . 318 142 37 ARG HB2 H 2.201 . . 319 142 37 ARG HB3 H 2.031 . . 320 142 37 ARG HD2 H 3.447 . . 321 142 37 ARG HD3 H 3.447 . . 322 142 37 ARG HE H 7.540 . . 323 142 37 ARG CA C 58.428 . . 324 142 37 ARG CB C 30.114 . . 325 142 37 ARG CD C 43.871 . . 326 142 37 ARG N N 119.681 . . 327 142 37 ARG NE N 85.249 . . 328 143 38 GLU H H 7.375 . . 329 143 38 GLU HA H 4.226 . . 330 143 38 GLU HB2 H 2.252 . . 331 143 38 GLU HB3 H 2.052 . . 332 143 38 GLU HG2 H 2.496 . . 333 143 38 GLU HG3 H 2.378 . . 334 143 38 GLU CA C 58.650 . . 335 143 38 GLU CB C 30.092 . . 336 143 38 GLU CG C 36.190 . . 337 143 38 GLU N N 118.084 . . 338 144 39 ALA H H 8.178 . . 339 144 39 ALA HA H 4.445 . . 340 144 39 ALA HB H 1.608 . . 341 144 39 ALA CA C 52.576 . . 342 144 39 ALA CB C 20.587 . . 343 144 39 ALA N N 117.939 . . 344 145 40 GLY H H 7.453 . . 345 145 40 GLY HA2 H 4.595 . . 346 145 40 GLY HA3 H 3.861 . . 347 145 40 GLY CA C 44.483 . . 348 145 40 GLY N N 103.057 . . 349 146 41 ASP H H 7.980 . . 350 146 41 ASP HA H 4.737 . . 351 146 41 ASP HB2 H 2.850 . . 352 146 41 ASP HB3 H 2.811 . . 353 146 41 ASP CA C 56.040 . . 354 146 41 ASP CB C 40.855 . . 355 146 41 ASP N N 116.309 . . 356 147 42 VAL H H 8.368 . . 357 147 42 VAL HA H 4.226 . . 358 147 42 VAL HB H 1.895 . . 359 147 42 VAL HG1 H 0.791 . . 360 147 42 VAL HG2 H 0.768 . . 361 147 42 VAL CA C 61.320 . . 362 147 42 VAL CB C 34.232 . . 363 147 42 VAL CG1 C 21.792 . . 364 147 42 VAL CG2 C 24.036 . . 365 147 42 VAL N N 127.193 . . 366 148 43 CYS H H 8.992 . . 367 148 43 CYS HA H 5.027 . . 368 148 43 CYS HB2 H 3.281 . . 369 148 43 CYS HB3 H 2.700 . . 370 148 43 CYS CA C 57.647 . . 371 148 43 CYS CB C 29.449 . . 372 148 43 CYS N N 122.160 . . 373 149 44 TYR H H 7.544 . . 374 149 44 TYR HA H 4.703 . . 375 149 44 TYR HB2 H 3.345 . . 376 149 44 TYR HB3 H 2.583 . . 377 149 44 TYR HD1 H 6.545 . . 378 149 44 TYR HD2 H 6.545 . . 379 149 44 TYR HE1 H 6.213 . . 380 149 44 TYR HE2 H 6.213 . . 381 149 44 TYR CA C 58.964 . . 382 149 44 TYR CB C 43.189 . . 383 149 44 TYR CD1 C 132.509 . . 384 149 44 TYR CE1 C 117.523 . . 385 149 44 TYR N N 121.200 . . 386 150 45 ALA H H 8.102 . . 387 150 45 ALA HA H 5.349 . . 388 150 45 ALA HB H 1.419 . . 389 150 45 ALA CA C 50.448 . . 390 150 45 ALA CB C 24.101 . . 391 150 45 ALA N N 127.204 . . 392 151 46 ASP H H 9.076 . . 393 151 46 ASP HA H 5.110 . . 394 151 46 ASP HB2 H 2.395 . . 395 151 46 ASP HB3 H 2.395 . . 396 151 46 ASP CA C 53.690 . . 397 151 46 ASP CB C 45.105 . . 398 151 46 ASP N N 121.357 . . 399 152 47 VAL H H 8.129 . . 400 152 47 VAL HA H 4.503 . . 401 152 47 VAL HB H 2.010 . . 402 152 47 VAL HG1 H 0.843 . . 403 152 47 VAL HG2 H 0.879 . . 404 152 47 VAL CA C 60.890 . . 405 152 47 VAL CB C 35.165 . . 406 152 47 VAL CG1 C 21.071 . . 407 152 47 VAL CG2 C 22.084 . . 408 152 47 VAL N N 115.500 . . 409 153 48 TYR H H 8.725 . . 410 153 48 TYR HA H 5.117 . . 411 153 48 TYR HB2 H 3.395 . . 412 153 48 TYR HB3 H 3.087 . . 413 153 48 TYR HD1 H 7.214 . . 414 153 48 TYR HD2 H 7.214 . . 415 153 48 TYR HE1 H 6.801 . . 416 153 48 TYR HE2 H 6.801 . . 417 153 48 TYR CA C 56.191 . . 418 153 48 TYR CB C 38.856 . . 419 153 48 TYR CD1 C 132.904 . . 420 153 48 TYR CE1 C 118.056 . . 421 153 48 TYR N N 124.079 . . 422 154 49 ARG H H 8.615 . . 423 154 49 ARG HA H 4.364 . . 424 154 49 ARG HB2 H 2.178 . . 425 154 49 ARG HB3 H 2.099 . . 426 154 49 ARG HG2 H 1.853 . . 427 154 49 ARG HG3 H 1.853 . . 428 154 49 ARG HD2 H 3.383 . . 429 154 49 ARG HD3 H 3.383 . . 430 154 49 ARG CA C 58.000 . . 431 154 49 ARG CB C 29.265 . . 432 154 49 ARG CG C 27.422 . . 433 154 49 ARG CD C 43.507 . . 434 154 49 ARG N N 117.406 . . 435 155 50 ASP H H 8.163 . . 436 155 50 ASP HA H 4.750 . . 437 155 50 ASP HB2 H 3.193 . . 438 155 50 ASP HB3 H 2.663 . . 439 155 50 ASP CA C 53.284 . . 440 155 50 ASP CB C 40.656 . . 441 155 50 ASP N N 117.615 . . 442 156 51 GLY H H 8.261 . . 443 156 51 GLY HA2 H 4.409 . . 444 156 51 GLY HA3 H 3.883 . . 445 156 51 GLY CA C 46.189 . . 446 156 51 GLY N N 108.427 . . 447 157 52 THR H H 7.840 . . 448 157 52 THR HA H 5.650 . . 449 157 52 THR HB H 4.466 . . 450 157 52 THR HG2 H 1.248 . . 451 157 52 THR CA C 60.114 . . 452 157 52 THR CB C 72.646 . . 453 157 52 THR CG2 C 21.750 . . 454 157 52 THR N N 110.409 . . 455 158 53 GLY H H 8.901 . . 456 158 53 GLY HA2 H 4.511 . . 457 158 53 GLY HA3 H 3.807 . . 458 158 53 GLY CA C 46.059 . . 459 158 53 GLY N N 106.068 . . 460 159 54 VAL H H 8.849 . . 461 159 54 VAL HA H 5.580 . . 462 159 54 VAL HB H 2.163 . . 463 159 54 VAL HG1 H 1.124 . . 464 159 54 VAL CA C 59.766 . . 465 159 54 VAL CB C 36.315 . . 466 159 54 VAL CG1 C 20.930 . . 467 159 54 VAL N N 116.514 . . 468 160 55 VAL H H 8.766 . . 469 160 55 VAL HA H 4.882 . . 470 160 55 VAL HB H 1.927 . . 471 160 55 VAL HG1 H 0.769 . . 472 160 55 VAL HG2 H 0.610 . . 473 160 55 VAL CA C 61.434 . . 474 160 55 VAL CB C 35.118 . . 475 160 55 VAL CG1 C 24.167 . . 476 160 55 VAL CG2 C 23.110 . . 477 160 55 VAL N N 121.538 . . 478 161 56 GLU H H 9.111 . . 479 161 56 GLU HA H 5.141 . . 480 161 56 GLU HB2 H 2.131 . . 481 161 56 GLU HB3 H 2.090 . . 482 161 56 GLU HG2 H 2.247 . . 483 161 56 GLU HG3 H 2.247 . . 484 161 56 GLU CA C 54.320 . . 485 161 56 GLU CB C 30.614 . . 486 161 56 GLU CG C 35.292 . . 487 161 56 GLU N N 125.091 . . 488 162 57 PHE H H 8.806 . . 489 162 57 PHE HA H 5.099 . . 490 162 57 PHE HB2 H 3.845 . . 491 162 57 PHE HB3 H 2.756 . . 492 162 57 PHE HD1 H 7.274 . . 493 162 57 PHE HD2 H 7.274 . . 494 162 57 PHE HE1 H 7.152 . . 495 162 57 PHE HE2 H 7.152 . . 496 162 57 PHE HZ H 7.151 . . 497 162 57 PHE CA C 58.200 . . 498 162 57 PHE CB C 42.066 . . 499 162 57 PHE CD2 C 131.673 . . 500 162 57 PHE CE2 C 131.532 . . 501 162 57 PHE CZ C 129.605 . . 502 162 57 PHE N N 120.710 . . 503 163 58 VAL H H 8.265 . . 504 163 58 VAL HA H 3.763 . . 505 163 58 VAL HB H 2.353 . . 506 163 58 VAL HG1 H 1.053 . . 507 163 58 VAL HG2 H 1.128 . . 508 163 58 VAL CA C 67.190 . . 509 163 58 VAL CB C 32.158 . . 510 163 58 VAL CG1 C 23.529 . . 511 163 58 VAL CG2 C 21.361 . . 512 163 58 VAL N N 124.864 . . 513 164 59 ARG H H 9.697 . . 514 164 59 ARG HA H 4.910 . . 515 164 59 ARG HB2 H 2.157 . . 516 164 59 ARG HB3 H 1.964 . . 517 164 59 ARG HG2 H 1.866 . . 518 164 59 ARG HG3 H 1.804 . . 519 164 59 ARG HD2 H 3.435 . . 520 164 59 ARG HD3 H 3.362 . . 521 164 59 ARG HE H 8.299 . . 522 164 59 ARG CA C 54.822 . . 523 164 59 ARG CB C 32.237 . . 524 164 59 ARG CG C 27.245 . . 525 164 59 ARG CD C 43.665 . . 526 164 59 ARG N N 117.599 . . 527 164 59 ARG NE N 84.854 . . 528 165 60 LYS H H 9.031 . . 529 165 60 LYS HA H 3.815 . . 530 165 60 LYS HB2 H 2.008 . . 531 165 60 LYS HB3 H 1.889 . . 532 165 60 LYS HG2 H 1.539 . . 533 165 60 LYS HG3 H 1.539 . . 534 165 60 LYS HD2 H 1.821 . . 535 165 60 LYS HD3 H 1.821 . . 536 165 60 LYS HE2 H 3.108 . . 537 165 60 LYS HE3 H 3.108 . . 538 165 60 LYS CA C 60.223 . . 539 165 60 LYS CB C 32.430 . . 540 165 60 LYS CG C 24.944 . . 541 165 60 LYS CD C 29.471 . . 542 165 60 LYS CE C 42.362 . . 543 165 60 LYS N N 126.669 . . 544 166 61 GLU H H 9.943 . . 545 166 61 GLU HA H 4.144 . . 546 166 61 GLU HB2 H 2.070 . . 547 166 61 GLU HB3 H 2.034 . . 548 166 61 GLU HG2 H 2.511 . . 549 166 61 GLU HG3 H 2.402 . . 550 166 61 GLU CA C 59.976 . . 551 166 61 GLU CB C 28.816 . . 552 166 61 GLU CG C 36.799 . . 553 166 61 GLU N N 118.278 . . 554 167 62 ASP H H 6.941 . . 555 167 62 ASP HA H 4.601 . . 556 167 62 ASP HB2 H 2.956 . . 557 167 62 ASP HB3 H 2.601 . . 558 167 62 ASP CA C 56.621 . . 559 167 62 ASP CB C 40.072 . . 560 167 62 ASP N N 120.127 . . 561 168 63 MET H H 7.116 . . 562 168 63 MET HA H 3.142 . . 563 168 63 MET HB2 H 2.476 . . 564 168 63 MET HB3 H 1.958 . . 565 168 63 MET HG2 H 2.454 . . 566 168 63 MET HG3 H 2.160 . . 567 168 63 MET HE H 2.233 . . 568 168 63 MET CA C 59.102 . . 569 168 63 MET CB C 33.296 . . 570 168 63 MET CG C 31.317 . . 571 168 63 MET CE C 17.312 . . 572 168 63 MET N N 119.695 . . 573 169 64 THR H H 7.860 . . 574 169 64 THR HA H 3.830 . . 575 169 64 THR HB H 4.252 . . 576 169 64 THR HG2 H 1.316 . . 577 169 64 THR CA C 66.332 . . 578 169 64 THR CB C 68.512 . . 579 169 64 THR CG2 C 22.201 . . 580 169 64 THR N N 112.542 . . 581 170 65 TYR H H 7.563 . . 582 170 65 TYR HA H 4.260 . . 583 170 65 TYR HB2 H 3.290 . . 584 170 65 TYR HB3 H 3.221 . . 585 170 65 TYR HD1 H 7.237 . . 586 170 65 TYR HD2 H 7.237 . . 587 170 65 TYR HE1 H 6.869 . . 588 170 65 TYR HE2 H 6.869 . . 589 170 65 TYR CA C 60.953 . . 590 170 65 TYR CB C 38.422 . . 591 170 65 TYR CD2 C 133.277 . . 592 170 65 TYR CE2 C 117.943 . . 593 170 65 TYR N N 122.698 . . 594 171 66 ALA H H 8.324 . . 595 171 66 ALA HA H 3.781 . . 596 171 66 ALA HB H 1.405 . . 597 171 66 ALA CA C 55.758 . . 598 171 66 ALA CB C 19.144 . . 599 171 66 ALA N N 120.634 . . 600 172 67 VAL H H 7.567 . . 601 172 67 VAL HA H 3.515 . . 602 172 67 VAL HB H 2.217 . . 603 172 67 VAL HG1 H 1.109 . . 604 172 67 VAL HG2 H 0.935 . . 605 172 67 VAL CA C 66.507 . . 606 172 67 VAL CB C 31.982 . . 607 172 67 VAL CG1 C 23.150 . . 608 172 67 VAL CG2 C 21.937 . . 609 172 67 VAL N N 115.336 . . 610 173 68 ARG H H 7.520 . . 611 173 68 ARG HA H 4.234 . . 612 173 68 ARG HB2 H 1.934 . . 613 173 68 ARG HB3 H 1.934 . . 614 173 68 ARG HG2 H 1.869 . . 615 173 68 ARG HG3 H 1.748 . . 616 173 68 ARG HD2 H 3.293 . . 617 173 68 ARG HD3 H 3.293 . . 618 173 68 ARG CA C 58.720 . . 619 173 68 ARG CB C 30.944 . . 620 173 68 ARG CG C 27.591 . . 621 173 68 ARG CD C 43.702 . . 622 173 68 ARG N N 116.571 . . 623 174 69 LYS H H 8.683 . . 624 174 69 LYS HA H 4.363 . . 625 174 69 LYS HB2 H 1.464 . . 626 174 69 LYS HB3 H 1.290 . . 627 174 69 LYS HG2 H 1.154 . . 628 174 69 LYS HG3 H 1.154 . . 629 174 69 LYS HD2 H 1.639 . . 630 174 69 LYS HD3 H 1.503 . . 631 174 69 LYS HE2 H 3.024 . . 632 174 69 LYS HE3 H 3.024 . . 633 174 69 LYS CA C 56.883 . . 634 174 69 LYS CB C 33.832 . . 635 174 69 LYS CG C 24.578 . . 636 174 69 LYS CD C 28.451 . . 637 174 69 LYS CE C 42.319 . . 638 174 69 LYS N N 115.848 . . 639 175 70 LEU H H 8.311 . . 640 175 70 LEU HA H 4.970 . . 641 175 70 LEU HB2 H 2.283 . . 642 175 70 LEU HB3 H 1.660 . . 643 175 70 LEU HG H 1.286 . . 644 175 70 LEU HD1 H 0.973 . . 645 175 70 LEU HD2 H 1.149 . . 646 175 70 LEU CA C 54.445 . . 647 175 70 LEU CB C 42.277 . . 648 175 70 LEU CG C 27.737 . . 649 175 70 LEU CD1 C 23.780 . . 650 175 70 LEU CD2 C 24.550 . . 651 175 70 LEU N N 114.362 . . 652 176 71 ASP H H 7.195 . . 653 176 71 ASP HA H 4.573 . . 654 176 71 ASP HB2 H 3.380 . . 655 176 71 ASP HB3 H 2.748 . . 656 176 71 ASP CA C 57.250 . . 657 176 71 ASP CB C 42.053 . . 658 176 71 ASP N N 120.098 . . 659 177 72 ASN H H 9.245 . . 660 177 72 ASN HA H 4.837 . . 661 177 72 ASN HB2 H 3.417 . . 662 177 72 ASN HB3 H 2.665 . . 663 177 72 ASN HD21 H 7.467 . . 664 177 72 ASN HD22 H 6.383 . . 665 177 72 ASN CA C 54.545 . . 666 177 72 ASN CB C 37.933 . . 667 177 72 ASN N N 123.730 . . 668 177 72 ASN ND2 N 109.890 . . 669 178 73 THR H H 7.381 . . 670 178 73 THR HA H 4.856 . . 671 178 73 THR HB H 4.557 . . 672 178 73 THR HG2 H 1.502 . . 673 178 73 THR CA C 60.418 . . 674 178 73 THR CB C 73.248 . . 675 178 73 THR CG2 C 23.984 . . 676 178 73 THR N N 105.323 . . 677 179 74 LYS H H 8.439 . . 678 179 74 LYS HA H 3.904 . . 679 179 74 LYS HB2 H 1.782 . . 680 179 74 LYS HB3 H 1.397 . . 681 179 74 LYS HG2 H 0.982 . . 682 179 74 LYS HG3 H 0.822 . . 683 179 74 LYS HD2 H 1.647 . . 684 179 74 LYS HD3 H 1.647 . . 685 179 74 LYS HE2 H 2.921 . . 686 179 74 LYS HE3 H 2.921 . . 687 179 74 LYS CA C 56.455 . . 688 179 74 LYS CB C 32.641 . . 689 179 74 LYS CG C 25.485 . . 690 179 74 LYS CD C 29.522 . . 691 179 74 LYS CE C 41.982 . . 692 179 74 LYS N N 120.223 . . 693 180 75 PHE H H 9.339 . . 694 180 75 PHE HA H 4.510 . . 695 180 75 PHE HB2 H 2.906 . . 696 180 75 PHE HB3 H 2.340 . . 697 180 75 PHE HD1 H 6.615 . . 698 180 75 PHE HD2 H 6.615 . . 699 180 75 PHE HE1 H 6.835 . . 700 180 75 PHE HE2 H 6.835 . . 701 180 75 PHE HZ H 7.127 . . 702 180 75 PHE CA C 56.122 . . 703 180 75 PHE CB C 43.233 . . 704 180 75 PHE CD2 C 131.938 . . 705 180 75 PHE CE2 C 129.756 . . 706 180 75 PHE CZ C 128.650 . . 707 180 75 PHE N N 132.032 . . 708 181 76 ARG H H 8.288 . . 709 181 76 ARG HA H 4.981 . . 710 181 76 ARG HB2 H 1.620 . . 711 181 76 ARG HB3 H 1.417 . . 712 181 76 ARG HG2 H 1.268 . . 713 181 76 ARG HG3 H 1.268 . . 714 181 76 ARG HD2 H 3.127 . . 715 181 76 ARG HD3 H 3.127 . . 716 181 76 ARG CA C 54.126 . . 717 181 76 ARG CB C 32.920 . . 718 181 76 ARG CG C 27.676 . . 719 181 76 ARG CD C 43.475 . . 720 181 76 ARG N N 128.341 . . 721 183 78 HIS H H 10.034 . . 722 183 78 HIS HA H 4.588 . . 723 183 78 HIS HB2 H 4.239 . . 724 183 78 HIS HB3 H 3.466 . . 725 183 78 HIS HD2 H 7.296 . . 726 183 78 HIS HE1 H 9.071 . . 727 183 78 HIS CA C 58.271 . . 728 183 78 HIS CB C 26.750 . . 729 183 78 HIS CD2 C 120.714 . . 730 183 78 HIS CE1 C 137.800 . . 731 183 78 HIS N N 118.140 . . 732 184 79 GLU H H 7.144 . . 733 184 79 GLU HA H 4.515 . . 734 184 79 GLU HB2 H 2.346 . . 735 184 79 GLU HB3 H 1.313 . . 736 184 79 GLU HG2 H 1.756 . . 737 184 79 GLU HG3 H 1.617 . . 738 184 79 GLU CA C 55.670 . . 739 184 79 GLU CB C 30.021 . . 740 184 79 GLU CG C 35.912 . . 741 184 79 GLU N N 116.959 . . 742 185 80 GLY H H 7.934 . . 743 185 80 GLY HA2 H 4.254 . . 744 185 80 GLY HA3 H 3.442 . . 745 185 80 GLY CA C 45.401 . . 746 185 80 GLY N N 108.035 . . 747 186 81 GLU H H 7.208 . . 748 186 81 GLU HA H 4.525 . . 749 186 81 GLU HB2 H 2.031 . . 750 186 81 GLU HB3 H 1.752 . . 751 186 81 GLU HG2 H 2.287 . . 752 186 81 GLU HG3 H 2.199 . . 753 186 81 GLU CA C 56.700 . . 754 186 81 GLU CB C 32.112 . . 755 186 81 GLU CG C 37.921 . . 756 186 81 GLU N N 118.585 . . 757 187 82 THR H H 8.571 . . 758 187 82 THR HA H 5.908 . . 759 187 82 THR HB H 3.994 . . 760 187 82 THR HG2 H 1.154 . . 761 187 82 THR CA C 59.765 . . 762 187 82 THR CB C 72.153 . . 763 187 82 THR CG2 C 21.367 . . 764 187 82 THR N N 114.275 . . 765 188 83 ALA H H 8.833 . . 766 188 83 ALA HA H 4.636 . . 767 188 83 ALA HB H 1.548 . . 768 188 83 ALA CA C 51.900 . . 769 188 83 ALA CB C 24.254 . . 770 188 83 ALA N N 123.311 . . 771 189 84 TYR H H 8.723 . . 772 189 84 TYR HA H 5.173 . . 773 189 84 TYR HB2 H 2.906 . . 774 189 84 TYR HB3 H 2.859 . . 775 189 84 TYR HD1 H 7.075 . . 776 189 84 TYR HD2 H 7.075 . . 777 189 84 TYR HE1 H 6.914 . . 778 189 84 TYR HE2 H 6.914 . . 779 189 84 TYR CA C 58.720 . . 780 189 84 TYR CB C 38.843 . . 781 189 84 TYR CD2 C 133.208 . . 782 189 84 TYR CE2 C 118.106 . . 783 189 84 TYR N N 120.543 . . 784 190 85 ILE H H 8.286 . . 785 190 85 ILE HA H 5.024 . . 786 190 85 ILE HB H 1.900 . . 787 190 85 ILE HG12 H 1.687 . . 788 190 85 ILE HG13 H 1.271 . . 789 190 85 ILE HG2 H 0.533 . . 790 190 85 ILE HD1 H 0.611 . . 791 190 85 ILE CA C 59.920 . . 792 190 85 ILE CB C 40.951 . . 793 190 85 ILE CG1 C 24.968 . . 794 190 85 ILE CG2 C 17.943 . . 795 190 85 ILE CD1 C 14.573 . . 796 190 85 ILE N N 115.845 . . 797 191 86 ARG H H 8.412 . . 798 191 86 ARG HA H 5.428 . . 799 191 86 ARG HB2 H 1.935 . . 800 191 86 ARG HB3 H 1.935 . . 801 191 86 ARG HG2 H 1.827 . . 802 191 86 ARG HG3 H 1.671 . . 803 191 86 ARG HD2 H 3.386 . . 804 191 86 ARG HD3 H 3.228 . . 805 191 86 ARG HE H 8.920 . . 806 191 86 ARG CA C 52.165 . . 807 191 86 ARG CB C 30.310 . . 808 191 86 ARG CG C 25.824 . . 809 191 86 ARG CD C 41.269 . . 810 191 86 ARG N N 117.660 . . 811 191 86 ARG NE N 84.276 . . 812 192 87 VAL H H 9.099 . . 813 192 87 VAL HA H 4.884 . . 814 192 87 VAL HB H 1.924 . . 815 192 87 VAL HG1 H 0.988 . . 816 192 87 VAL HG2 H 0.952 . . 817 192 87 VAL CA C 61.429 . . 818 192 87 VAL CB C 35.190 . . 819 192 87 VAL CG1 C 21.958 . . 820 192 87 VAL CG2 C 22.203 . . 821 192 87 VAL N N 121.645 . . 822 193 88 LYS H H 8.834 . . 823 193 88 LYS HA H 4.909 . . 824 193 88 LYS HB2 H 1.954 . . 825 193 88 LYS HB3 H 1.825 . . 826 193 88 LYS HG2 H 1.401 . . 827 193 88 LYS HG3 H 1.401 . . 828 193 88 LYS HD2 H 1.748 . . 829 193 88 LYS HD3 H 1.748 . . 830 193 88 LYS HE2 H 2.915 . . 831 193 88 LYS HE3 H 2.915 . . 832 193 88 LYS CA C 54.716 . . 833 193 88 LYS CB C 36.680 . . 834 193 88 LYS CG C 24.182 . . 835 193 88 LYS CD C 29.496 . . 836 193 88 LYS CE C 42.009 . . 837 193 88 LYS N N 123.338 . . 838 194 89 VAL H H 8.690 . . 839 194 89 VAL HA H 4.196 . . 840 194 89 VAL HB H 2.206 . . 841 194 89 VAL HG1 H 1.206 . . 842 194 89 VAL HG2 H 1.170 . . 843 194 89 VAL CA C 64.279 . . 844 194 89 VAL CB C 32.629 . . 845 194 89 VAL CG1 C 21.713 . . 846 194 89 VAL CG2 C 22.123 . . 847 194 89 VAL N N 120.724 . . 848 195 90 ASP H H 8.342 . . 849 195 90 ASP HA H 4.865 . . 850 195 90 ASP HB2 H 2.790 . . 851 195 90 ASP HB3 H 2.461 . . 852 195 90 ASP CA C 54.247 . . 853 195 90 ASP CB C 42.672 . . 854 195 90 ASP N N 125.866 . . 855 196 91 GLY H H 8.047 . . 856 196 91 GLY HA2 H 4.315 . . 857 196 91 GLY HA3 H 4.136 . . 858 196 91 GLY CA C 44.981 . . 859 196 91 GLY N N 111.070 . . stop_ save_