data_17707 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; na3 ; _BMRB_accession_number 17707 _BMRB_flat_file_name bmr17707.str _Entry_type original _Submission_date 2011-06-15 _Accession_date 2011-06-15 _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 Daubner Gerrit . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 583 "13C chemical shifts" 268 "15N chemical shifts" 97 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-02-17 udpate BMRB 'update entry citation' 2011-10-26 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 17706 'Protein + RNA2' stop_ save_ ############################# # Citation for this entry # ############################# save_SRSF2_RRM_+_UGGAGU _Saveframe_category entry_citation _Citation_full . _Citation_title 'A syn-anti conformational difference allows SRSF2 to recognize guanines and cytosines equally well.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22002536 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Daubner Gerrit M. . 2 Clery Antoine . . 3 Jayne Sandrine . . 4 Stevenin James . . 5 Allain 'Frederic H-T' . . stop_ _Journal_abbreviation 'EMBO J.' _Journal_name_full 'The EMBO journal' _Journal_volume 31 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 162 _Page_last 174 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'SRSF2_RRM/RNA complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label SRSF2_RRM $SRSF2_RRM 'RNA (5'-R(*UP*GP*GP*AP*GP*U)-3')' $RNA_(5'-R(*UP*GP*GP*AP*GP*U)-3') 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_SRSF2_RRM _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SRSF2_RRM _Molecular_mass 11705.210 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 135 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH MASMTGGQQMGRGSMSYGRP PPDVEGMTSLKVDNLTYRTS PDTLRRVFEKYGRVGDVYIP RDRYTKESRGFAFVRFHDKR DAEDAMDAMDGAVLDGRELR VQMARYGRPPDSHHS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -33 MET 2 -32 GLY 3 -31 SER 4 -30 SER 5 -29 HIS 6 -28 HIS 7 -27 HIS 8 -26 HIS 9 -25 HIS 10 -24 HIS 11 -23 SER 12 -22 SER 13 -21 GLY 14 -20 LEU 15 -19 VAL 16 -18 PRO 17 -17 ARG 18 -16 GLY 19 -15 SER 20 -14 HIS 21 -13 MET 22 -12 ALA 23 -11 SER 24 -10 MET 25 -9 THR 26 -8 GLY 27 -7 GLY 28 -6 GLN 29 -5 GLN 30 -4 MET 31 -3 GLY 32 -2 ARG 33 -1 GLY 34 0 SER 35 1 MET 36 2 SER 37 3 TYR 38 4 GLY 39 5 ARG 40 6 PRO 41 7 PRO 42 8 PRO 43 9 ASP 44 10 VAL 45 11 GLU 46 12 GLY 47 13 MET 48 14 THR 49 15 SER 50 16 LEU 51 17 LYS 52 18 VAL 53 19 ASP 54 20 ASN 55 21 LEU 56 22 THR 57 23 TYR 58 24 ARG 59 25 THR 60 26 SER 61 27 PRO 62 28 ASP 63 29 THR 64 30 LEU 65 31 ARG 66 32 ARG 67 33 VAL 68 34 PHE 69 35 GLU 70 36 LYS 71 37 TYR 72 38 GLY 73 39 ARG 74 40 VAL 75 41 GLY 76 42 ASP 77 43 VAL 78 44 TYR 79 45 ILE 80 46 PRO 81 47 ARG 82 48 ASP 83 49 ARG 84 50 TYR 85 51 THR 86 52 LYS 87 53 GLU 88 54 SER 89 55 ARG 90 56 GLY 91 57 PHE 92 58 ALA 93 59 PHE 94 60 VAL 95 61 ARG 96 62 PHE 97 63 HIS 98 64 ASP 99 65 LYS 100 66 ARG 101 67 ASP 102 68 ALA 103 69 GLU 104 70 ASP 105 71 ALA 106 72 MET 107 73 ASP 108 74 ALA 109 75 MET 110 76 ASP 111 77 GLY 112 78 ALA 113 79 VAL 114 80 LEU 115 81 ASP 116 82 GLY 117 83 ARG 118 84 GLU 119 85 LEU 120 86 ARG 121 87 VAL 122 88 GLN 123 89 MET 124 90 ALA 125 91 ARG 126 92 TYR 127 93 GLY 128 94 ARG 129 95 PRO 130 96 PRO 131 97 ASP 132 98 SER 133 99 HIS 134 100 HIS 135 101 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 16444 SC35 68.89 158 100.00 100.00 1.79e-59 BMRB 17705 SRSF2_RRM 100.00 135 100.00 100.00 2.41e-91 BMRB 17706 SRSF2_RRM 100.00 135 100.00 100.00 2.41e-91 PDB 2KN4 "The Structure Of The Rrm Domain Of Sc35" 68.89 158 100.00 100.00 1.79e-59 PDB 2LEA "Solution Structure Of Human Srsf2 (Sc35) Rrm" 100.00 135 100.00 100.00 2.41e-91 PDB 2LEB "Solution Structure Of Human Srsf2 (Sc35) Rrm In Complex With 5'- Uccagu-3'" 100.00 135 100.00 100.00 2.41e-91 PDB 2LEC "Solution Structure Of Human Srsf2 (Sc35) Rrm In Complex With 5'- Uggagu-3'" 100.00 135 100.00 100.00 2.41e-91 DBJ BAC03903 "unnamed protein product [Homo sapiens]" 68.89 201 98.92 98.92 4.92e-61 DBJ BAC04206 "unnamed protein product [Homo sapiens]" 58.52 186 100.00 100.00 8.08e-48 DBJ BAC36346 "unnamed protein product [Mus musculus]" 74.81 254 100.00 100.00 2.29e-66 DBJ BAC39610 "unnamed protein product [Mus musculus]" 74.81 221 100.00 100.00 9.92e-68 DBJ BAC40111 "unnamed protein product [Mus musculus]" 74.81 221 100.00 100.00 9.92e-68 EMBL CAA44306 "PR 264 [Gallus gallus]" 74.81 221 100.00 100.00 4.64e-68 EMBL CAA44307 "PR 264 [Homo sapiens]" 74.81 221 100.00 100.00 9.92e-68 EMBL CAA53383 "PR264/SC35 [Homo sapiens]" 74.81 221 100.00 100.00 9.92e-68 EMBL CAA67134 "PR264/SC35 [Mus musculus]" 74.81 121 100.00 100.00 1.00e-64 EMBL CAJ82901 "splicing factor, arginine/serine-rich 2 [Xenopus (Silurana) tropicalis]" 74.07 220 99.00 100.00 6.94e-67 GB AAA60306 "splicing factor [Homo sapiens]" 74.81 221 99.01 99.01 1.30e-66 GB AAC71000 "splicing factor SC35 [Mus musculus]" 74.81 221 100.00 100.00 9.92e-68 GB AAH00339 "SFRS2 protein [Homo sapiens]" 74.81 221 100.00 100.00 9.92e-68 GB AAH01303 "SFRS2 protein [Homo sapiens]" 74.81 221 100.00 100.00 9.92e-68 GB AAH05493 "Sfrs2 protein [Mus musculus]" 74.81 221 100.00 100.00 9.92e-68 PIR A42701 "splicing factor SFRS2 - human" 74.81 221 100.00 100.00 9.92e-68 PRF 1805195A "RNA-binding protein PR264 [Gallus gallus]" 74.81 221 100.00 100.00 4.64e-68 PRF 1805195B "RNA-binding protein PR264" 74.81 221 100.00 100.00 9.92e-68 REF NP_001001305 "serine/arginine-rich splicing factor 2 [Gallus gallus]" 74.81 221 100.00 100.00 4.64e-68 REF NP_001009720 "serine/arginine-rich splicing factor 2 [Rattus norvegicus]" 74.81 221 100.00 100.00 9.92e-68 REF NP_001029290 "serine/arginine-rich splicing factor 2 [Pan troglodytes]" 74.81 221 100.00 100.00 1.37e-67 REF NP_001029490 "serine/arginine-rich splicing factor 2 [Bos taurus]" 74.81 221 100.00 100.00 9.92e-68 REF NP_001070697 "serine/arginine-rich splicing factor 2 [Sus scrofa]" 74.81 221 100.00 100.00 7.90e-68 SP P30352 "RecName: Full=Serine/arginine-rich splicing factor 2; AltName: Full=Protein PR264; AltName: Full=Splicing component, 35 kDa; Al" 74.81 221 100.00 100.00 4.64e-68 SP Q01130 "RecName: Full=Serine/arginine-rich splicing factor 2; AltName: Full=Protein PR264; AltName: Full=Splicing component, 35 kDa; Al" 74.81 221 100.00 100.00 9.92e-68 SP Q06A98 "RecName: Full=Serine/arginine-rich splicing factor 2; AltName: Full=Splicing component, 35 kDa; AltName: Full=Splicing factor S" 74.81 221 100.00 100.00 7.90e-68 SP Q3MHR5 "RecName: Full=Serine/arginine-rich splicing factor 2; AltName: Full=Splicing component, 35 kDa; AltName: Full=Splicing factor S" 74.81 221 100.00 100.00 9.92e-68 SP Q5R1W5 "RecName: Full=Serine/arginine-rich splicing factor 2; AltName: Full=Splicing component, 35 kDa; AltName: Full=Splicing factor S" 74.81 221 100.00 100.00 1.37e-67 TPG DAA18198 "TPA: splicing factor, arginine/serine-rich 2 [Bos taurus]" 74.81 221 100.00 100.00 9.92e-68 stop_ save_ save_RNA_(5'-R(*UP*GP*GP*AP*GP*U)-3') _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common RNA_(5'-R(*UP*GP*GP*AP*GP*U)-3')_ _Molecular_mass 1932.211 _Mol_thiol_state 'not present' _Details . _Residue_count 6 _Mol_residue_sequence UGGAGU loop_ _Residue_seq_code _Residue_label 1 U 2 G 3 G 4 A 5 G 6 U stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $SRSF2_RRM Human 9606 Eukaryota Metazoa . . 'SFRS2, SRSF2' $RNA_(5'-R(*UP*GP*GP*AP*GP*U)-3') . . . . . . . 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 $SRSF2_RRM 'recombinant technology' . . . BL21(DE3) pet28a $RNA_(5'-R(*UP*GP*GP*AP*GP*U)-3') 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_SRSF2_RRM_+_UGGAGU_sample_1 _Saveframe_category sample _Sample_type solution _Details '50mM L-Arg; 50mM L-Glu; 20mM NaH2PO4; ph 5.5' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SRSF2_RRM 0.75 mM [U-15N] $RNA_(5'-R(*UP*GP*GP*AP*GP*U)-3') 0.75 mM [U-15N] $SRSF2_RRM 0.75 mM '[U-13C; U-15N]' $RNA_(5'-R(*UP*GP*GP*AP*GP*U)-3') 0.75 mM '[U-13C; U-15N]' L-Arg 50 mM 'natural abundance' L-Glu 50 mM 'natural abundance' NaH2PO4 20 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_SRSF2_RRM_+_UGGAGU_D2O _Saveframe_category sample _Sample_type solution _Details '50mM L-Arg; 50mM L-Glu; 20mM NaH2PO4; ph 5.5' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SRSF2_RRM 0.75 mM [U-15N] $RNA_(5'-R(*UP*GP*GP*AP*GP*U)-3') 0.75 mM [U-15N] L-Arg 50 mM 'natural abundance' L-Glu 50 mM 'natural abundance' NaH2PO4 20 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version 9 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details cryoprobe save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details cryoprobe save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details cryoprobe save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details cryoprobe save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $SRSF2_RRM_+_UGGAGU_sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $SRSF2_RRM_+_UGGAGU_sample_1 save_ save_3D_HCACO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $SRSF2_RRM_+_UGGAGU_sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $SRSF2_RRM_+_UGGAGU_sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $SRSF2_RRM_+_UGGAGU_sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $SRSF2_RRM_+_UGGAGU_sample_1 save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $SRSF2_RRM_+_UGGAGU_sample_1 save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $SRSF2_RRM_+_UGGAGU_sample_1 save_ save_3D_H(CCO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $SRSF2_RRM_+_UGGAGU_sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $SRSF2_RRM_+_UGGAGU_sample_1 save_ save_3D_1H-13C_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $SRSF2_RRM_+_UGGAGU_sample_1 save_ save_3D_1H-13C_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $SRSF2_RRM_+_UGGAGU_sample_1 save_ save_3D_1H-15N_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $SRSF2_RRM_+_UGGAGU_sample_1 save_ save_2D_1H-1H_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $SRSF2_RRM_+_UGGAGU_D2O save_ save_2D_1H-1H_TOCSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $SRSF2_RRM_+_UGGAGU_D2O save_ ####################### # Sample conditions # ####################### save_SRSF2_RRM_+_UGGAGU_sample_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 310.8 . 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 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-13C NOESY' '3D 1H-15N NOESY' '2D 1H-1H NOESY' stop_ loop_ _Sample_label $SRSF2_RRM_+_UGGAGU_sample_1 $SRSF2_RRM_+_UGGAGU_D2O stop_ _Sample_conditions_label $SRSF2_RRM_+_UGGAGU_sample_conditions _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name SRSF2_RRM _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 2 36 SER H H 8.112 0.017 1 2 2 36 SER HA H 4.398 0.003 1 3 2 36 SER HB2 H 3.744 0.001 2 4 2 36 SER HB3 H 3.744 0.001 2 5 2 36 SER CA C 55.706 0.000 1 6 2 36 SER CB C 61.260 0.007 1 7 2 36 SER N N 116.365 0.000 1 8 3 37 TYR H H 8.155 0.000 1 9 3 37 TYR HA H 4.634 0.000 1 10 3 37 TYR HB2 H 2.919 0.004 2 11 3 37 TYR HB3 H 3.135 0.004 2 12 3 37 TYR HD1 H 7.073 0.006 3 13 3 37 TYR HD2 H 7.073 0.006 3 14 3 37 TYR HE1 H 6.726 0.003 3 15 3 37 TYR HE2 H 6.726 0.003 3 16 3 37 TYR CB C 36.183 0.005 1 17 3 37 TYR CD1 C 133.043 0.011 3 18 3 37 TYR CE1 C 118.182 0.002 3 19 3 37 TYR N N 121.885 0.002 1 20 4 38 GLY H H 8.332 0.000 1 21 4 38 GLY HA2 H 3.976 0.000 2 22 4 38 GLY HA3 H 3.976 0.000 2 23 4 38 GLY N N 109.771 0.003 1 24 5 39 ARG H H 8.224 0.000 1 25 5 39 ARG HA H 4.541 0.003 1 26 5 39 ARG HG2 H 1.636 0.000 2 27 5 39 ARG HG3 H 1.636 0.000 2 28 5 39 ARG HD2 H 3.149 0.000 2 29 5 39 ARG HD3 H 3.149 0.000 2 30 5 39 ARG CA C 51.195 0.007 1 31 5 39 ARG N N 121.087 0.015 1 32 6 40 PRO HA H 4.239 0.008 1 33 6 40 PRO HG2 H 1.659 0.009 2 34 6 40 PRO HG3 H 1.659 0.009 2 35 6 40 PRO HD2 H 3.520 0.001 2 36 6 40 PRO HD3 H 3.520 0.001 2 37 6 40 PRO CA C 58.394 0.000 1 38 6 40 PRO CD C 47.572 0.002 1 39 7 41 PRO HA H 4.384 0.002 1 40 7 41 PRO HB2 H 2.013 0.001 2 41 7 41 PRO HB3 H 2.013 0.001 2 42 7 41 PRO HG2 H 1.727 0.000 2 43 7 41 PRO HG3 H 1.727 0.000 2 44 7 41 PRO HD2 H 2.986 0.003 2 45 7 41 PRO HD3 H 3.473 0.003 2 46 7 41 PRO CA C 58.572 0.022 1 47 7 41 PRO CD C 47.079 0.008 1 48 8 42 PRO HA H 4.273 0.002 1 49 8 42 PRO HB2 H 2.178 0.003 2 50 8 42 PRO HB3 H 2.178 0.003 2 51 8 42 PRO HG2 H 1.697 0.012 2 52 8 42 PRO HG3 H 1.697 0.012 2 53 8 42 PRO HD2 H 3.302 0.002 2 54 8 42 PRO HD3 H 3.588 0.001 2 55 8 42 PRO CA C 60.131 0.016 1 56 8 42 PRO CB C 29.097 0.000 1 57 8 42 PRO CD C 47.371 0.004 1 58 9 43 ASP H H 8.425 0.004 1 59 9 43 ASP HA H 4.512 0.002 1 60 9 43 ASP HB2 H 2.634 0.001 2 61 9 43 ASP HB3 H 2.720 0.001 2 62 9 43 ASP CA C 51.541 0.005 1 63 9 43 ASP CB C 37.499 0.018 1 64 9 43 ASP N N 119.118 0.007 1 65 10 44 VAL H H 7.882 0.000 1 66 10 44 VAL HA H 4.206 0.006 1 67 10 44 VAL HB H 2.210 0.006 1 68 10 44 VAL HG1 H 0.706 0.004 2 69 10 44 VAL HG2 H 0.708 0.002 2 70 10 44 VAL CA C 59.163 0.000 1 71 10 44 VAL CB C 28.998 0.000 1 72 10 44 VAL CG1 C 16.307 0.012 2 73 10 44 VAL CG2 C 17.748 0.003 2 74 10 44 VAL N N 118.278 0.000 1 75 11 45 GLU H H 8.328 0.005 1 76 11 45 GLU HA H 4.048 0.002 1 77 11 45 GLU HB2 H 2.007 0.004 2 78 11 45 GLU HB3 H 2.007 0.004 2 79 11 45 GLU HG2 H 2.282 0.002 2 80 11 45 GLU HG3 H 2.282 0.002 2 81 11 45 GLU CA C 55.847 0.001 1 82 11 45 GLU CB C 26.447 0.006 1 83 11 45 GLU CG C 33.501 0.003 1 84 11 45 GLU N N 123.222 0.002 1 85 12 46 GLY H H 8.361 0.005 1 86 12 46 GLY HA2 H 4.032 0.006 2 87 12 46 GLY HA3 H 4.032 0.006 2 88 12 46 GLY CA C 42.699 0.000 1 89 12 46 GLY N N 108.993 0.008 1 90 13 47 MET H H 7.493 0.006 1 91 13 47 MET HA H 4.584 0.000 1 92 13 47 MET HB2 H 2.128 0.008 2 93 13 47 MET HB3 H 2.422 0.002 2 94 13 47 MET HE H 1.834 0.002 2 95 13 47 MET CB C 31.447 0.018 1 96 13 47 MET CE C 15.957 0.008 1 97 13 47 MET N N 118.074 0.009 1 98 14 48 THR H H 8.993 0.000 1 99 14 48 THR HA H 4.534 0.003 1 100 14 48 THR HB H 3.786 0.014 1 101 14 48 THR HG2 H 1.177 0.004 2 102 14 48 THR CA C 60.656 0.007 1 103 14 48 THR CB C 67.544 0.010 1 104 14 48 THR CG2 C 19.413 0.004 1 105 14 48 THR N N 118.968 0.005 1 106 15 49 SER H H 9.097 0.010 1 107 15 49 SER HA H 5.017 0.000 1 108 15 49 SER HB2 H 3.517 0.009 2 109 15 49 SER HB3 H 4.077 0.008 2 110 15 49 SER CB C 61.787 0.000 1 111 15 49 SER N N 123.365 0.002 1 112 16 50 LEU H H 9.495 0.002 1 113 16 50 LEU HA H 5.008 0.005 1 114 16 50 LEU HB2 H 1.785 0.016 2 115 16 50 LEU HB3 H 1.785 0.016 2 116 16 50 LEU HD1 H 0.831 0.003 2 117 16 50 LEU HD2 H 0.895 0.002 2 118 16 50 LEU CA C 50.359 0.000 1 119 16 50 LEU CB C 41.102 0.000 1 120 16 50 LEU CD1 C 20.444 0.003 2 121 16 50 LEU CD2 C 23.960 0.026 2 122 16 50 LEU N N 124.488 0.002 1 123 17 51 LYS H H 9.239 0.008 1 124 17 51 LYS HA H 4.881 0.006 1 125 17 51 LYS HB2 H 1.438 0.015 2 126 17 51 LYS HB3 H 1.438 0.015 2 127 17 51 LYS CA C 52.425 0.000 1 128 17 51 LYS CB C 32.331 0.000 1 129 17 51 LYS N N 123.276 0.010 1 130 18 52 VAL H H 9.136 0.003 1 131 18 52 VAL HA H 4.774 0.003 1 132 18 52 VAL HB H 1.800 0.004 1 133 18 52 VAL HG1 H 0.696 0.004 2 134 18 52 VAL HG2 H 0.972 0.008 2 135 18 52 VAL CA C 58.226 0.012 1 136 18 52 VAL CB C 30.922 0.022 1 137 18 52 VAL CG1 C 18.691 0.005 2 138 18 52 VAL CG2 C 19.976 0.006 2 139 18 52 VAL N N 130.086 0.005 1 140 19 53 ASP H H 9.312 0.004 1 141 19 53 ASP HA H 5.178 0.008 1 142 19 53 ASP HB2 H 2.461 0.007 2 143 19 53 ASP HB3 H 2.706 0.004 2 144 19 53 ASP CA C 50.614 0.001 1 145 19 53 ASP CB C 42.547 0.005 1 146 19 53 ASP N N 125.621 0.016 1 147 20 54 ASN H H 8.438 0.004 1 148 20 54 ASN HA H 4.477 0.002 1 149 20 54 ASN HB2 H 2.811 0.007 2 150 20 54 ASN HB3 H 3.518 0.002 2 151 20 54 ASN HD21 H 8.111 0.005 2 152 20 54 ASN HD22 H 6.758 0.001 2 153 20 54 ASN CA C 51.016 0.055 1 154 20 54 ASN CB C 34.619 0.028 1 155 20 54 ASN N N 112.496 0.009 1 156 20 54 ASN ND2 N 111.727 0.008 1 157 21 55 LEU H H 7.477 0.003 1 158 21 55 LEU HA H 4.363 0.003 1 159 21 55 LEU HB2 H 1.135 0.005 2 160 21 55 LEU HB3 H 1.306 0.004 2 161 21 55 LEU HG H 1.422 0.000 1 162 21 55 LEU HD1 H 0.521 0.005 2 163 21 55 LEU HD2 H 0.720 0.003 2 164 21 55 LEU CA C 51.007 0.004 1 165 21 55 LEU CB C 41.016 0.023 1 166 21 55 LEU CD1 C 24.469 0.004 2 167 21 55 LEU CD2 C 21.794 0.000 2 168 21 55 LEU N N 114.844 0.009 1 169 22 56 THR H H 8.341 0.005 1 170 22 56 THR HA H 4.361 0.003 1 171 22 56 THR HB H 4.425 0.000 1 172 22 56 THR HG2 H 1.372 0.008 2 173 22 56 THR CA C 58.212 0.004 1 174 22 56 THR CB C 68.233 0.015 1 175 22 56 THR CG2 C 20.224 0.008 1 176 22 56 THR N N 111.571 0.000 1 177 23 57 TYR H H 8.587 0.009 1 178 23 57 TYR HA H 4.310 0.023 1 179 23 57 TYR HB2 H 3.058 0.005 2 180 23 57 TYR HB3 H 3.199 0.005 2 181 23 57 TYR HD1 H 7.065 0.005 3 182 23 57 TYR HD2 H 7.065 0.005 3 183 23 57 TYR HE1 H 6.753 0.003 3 184 23 57 TYR HE2 H 6.753 0.003 3 185 23 57 TYR CA C 56.576 0.015 1 186 23 57 TYR CB C 34.185 0.013 1 187 23 57 TYR CD2 C 132.648 0.000 3 188 23 57 TYR CE2 C 118.508 0.000 3 189 23 57 TYR N N 122.008 0.004 1 190 24 58 ARG H H 7.262 0.008 1 191 24 58 ARG HA H 4.263 0.002 1 192 24 58 ARG HB2 H 1.624 0.004 2 193 24 58 ARG HB3 H 1.766 0.003 2 194 24 58 ARG HG2 H 1.205 0.005 2 195 24 58 ARG HG3 H 1.386 0.002 2 196 24 58 ARG HD2 H 3.059 0.007 2 197 24 58 ARG HD3 H 3.059 0.007 2 198 24 58 ARG HE H 7.982 0.000 1 199 24 58 ARG CA C 53.096 0.017 1 200 24 58 ARG CB C 27.404 0.021 1 201 24 58 ARG CG C 23.247 0.020 1 202 24 58 ARG CD C 41.054 0.005 1 203 24 58 ARG N N 114.767 0.005 1 204 24 58 ARG NE N 85.298 0.000 1 205 25 59 THR H H 7.348 0.003 1 206 25 59 THR HA H 4.015 0.004 1 207 25 59 THR HB H 4.021 0.006 1 208 25 59 THR HG2 H 1.093 0.002 2 209 25 59 THR CA C 62.247 0.003 1 210 25 59 THR CB C 65.785 0.004 1 211 25 59 THR CG2 C 19.218 0.012 1 212 25 59 THR N N 119.267 0.005 1 213 26 60 SER H H 8.319 0.000 1 214 26 60 SER HA H 4.861 0.007 1 215 26 60 SER HB2 H 3.947 0.002 2 216 26 60 SER HB3 H 4.368 0.012 2 217 26 60 SER CA C 52.864 0.000 1 218 26 60 SER CB C 61.783 0.011 1 219 26 60 SER N N 124.341 0.003 1 220 27 61 PRO HA H 4.010 0.000 1 221 27 61 PRO HG2 H 1.863 0.000 2 222 27 61 PRO HG3 H 2.241 0.004 2 223 27 61 PRO HD2 H 3.795 0.003 2 224 27 61 PRO HD3 H 3.992 0.001 2 225 27 61 PRO CA C 63.083 0.000 1 226 27 61 PRO CG C 25.631 0.013 1 227 27 61 PRO CD C 48.011 0.007 1 228 28 62 ASP H H 8.020 0.003 1 229 28 62 ASP HA H 4.376 0.007 1 230 28 62 ASP HB2 H 2.614 0.002 2 231 28 62 ASP HB3 H 2.614 0.002 2 232 28 62 ASP CA C 54.681 0.028 1 233 28 62 ASP CB C 38.252 0.013 1 234 28 62 ASP N N 115.615 0.016 1 235 29 63 THR H H 7.766 0.007 1 236 29 63 THR HA H 3.902 0.004 1 237 29 63 THR HB H 4.325 0.005 1 238 29 63 THR HG2 H 1.254 0.003 2 239 29 63 THR CA C 63.729 0.008 1 240 29 63 THR CB C 65.634 0.008 1 241 29 63 THR CG2 C 19.530 0.005 1 242 29 63 THR N N 118.079 0.003 1 243 30 64 LEU H H 7.495 0.005 1 244 30 64 LEU HA H 4.053 0.008 1 245 30 64 LEU HB2 H 1.373 0.005 2 246 30 64 LEU HB3 H 1.765 0.001 2 247 30 64 LEU HG H 1.580 0.000 1 248 30 64 LEU HD1 H 0.659 0.000 2 249 30 64 LEU HD2 H 0.649 0.002 2 250 30 64 LEU CA C 54.978 0.020 1 251 30 64 LEU CB C 39.831 0.010 1 252 30 64 LEU CD1 C 21.630 0.000 2 253 30 64 LEU CD2 C 23.253 0.007 2 254 30 64 LEU N N 118.985 0.002 1 255 31 65 ARG H H 8.583 0.003 1 256 31 65 ARG HA H 3.644 0.001 1 257 31 65 ARG HB2 H 1.947 0.000 2 258 31 65 ARG HB3 H 1.947 0.000 2 259 31 65 ARG HG2 H 1.391 0.006 2 260 31 65 ARG HG3 H 1.502 0.000 2 261 31 65 ARG HD2 H 3.149 0.000 2 262 31 65 ARG HD3 H 3.305 0.000 2 263 31 65 ARG HE H 7.557 0.000 1 264 31 65 ARG CA C 58.356 0.021 1 265 31 65 ARG CG C 25.260 0.000 1 266 31 65 ARG CD C 40.564 0.012 1 267 31 65 ARG N N 119.245 0.007 1 268 31 65 ARG NE N 84.308 0.001 1 269 32 66 ARG H H 7.707 0.007 1 270 32 66 ARG HA H 4.072 0.005 1 271 32 66 ARG HB2 H 1.949 0.001 2 272 32 66 ARG HB3 H 1.949 0.001 2 273 32 66 ARG HG2 H 1.691 0.002 2 274 32 66 ARG HG3 H 1.797 0.002 2 275 32 66 ARG HD2 H 3.211 0.005 2 276 32 66 ARG HD3 H 3.211 0.005 2 277 32 66 ARG CA C 56.674 0.006 1 278 32 66 ARG CB C 27.558 0.007 1 279 32 66 ARG CG C 25.041 0.011 1 280 32 66 ARG CD C 40.655 0.005 1 281 32 66 ARG N N 115.695 0.002 1 282 33 67 VAL H H 7.739 0.003 1 283 33 67 VAL HA H 3.892 0.003 1 284 33 67 VAL HB H 2.187 0.004 1 285 33 67 VAL HG1 H 0.791 0.002 2 286 33 67 VAL HG2 H 1.079 0.002 2 287 33 67 VAL CA C 62.656 0.007 1 288 33 67 VAL CB C 29.556 0.005 1 289 33 67 VAL CG1 C 18.822 0.000 2 290 33 67 VAL CG2 C 19.367 0.003 2 291 33 67 VAL N N 115.500 0.003 1 292 34 68 PHE H H 8.253 0.003 1 293 34 68 PHE HA H 4.498 0.004 1 294 34 68 PHE HB2 H 3.003 0.003 2 295 34 68 PHE HB3 H 3.177 0.010 2 296 34 68 PHE HD1 H 7.705 0.007 3 297 34 68 PHE HD2 H 7.705 0.007 3 298 34 68 PHE HE1 H 6.969 0.001 3 299 34 68 PHE HE2 H 6.969 0.001 3 300 34 68 PHE HZ H 6.951 0.005 1 301 34 68 PHE CA C 60.028 0.013 1 302 34 68 PHE CB C 36.192 0.006 1 303 34 68 PHE CD2 C 132.102 0.007 3 304 34 68 PHE CE2 C 130.488 0.000 3 305 34 68 PHE CZ C 128.785 0.000 1 306 34 68 PHE N N 116.290 0.003 1 307 35 69 GLU H H 8.583 0.004 1 308 35 69 GLU HA H 5.035 0.003 1 309 35 69 GLU HB2 H 2.093 0.002 2 310 35 69 GLU HB3 H 2.269 0.004 2 311 35 69 GLU HG2 H 2.445 0.006 2 312 35 69 GLU HG3 H 2.549 0.003 2 313 35 69 GLU CA C 54.982 0.025 1 314 35 69 GLU CB C 26.174 0.024 1 315 35 69 GLU CG C 34.381 0.019 1 316 35 69 GLU N N 119.333 0.016 1 317 36 70 LYS H H 6.871 0.001 1 318 36 70 LYS HA H 3.892 0.005 1 319 36 70 LYS HB2 H 1.111 0.003 2 320 36 70 LYS HB3 H 1.416 0.005 2 321 36 70 LYS HG2 H 0.926 0.003 2 322 36 70 LYS HG3 H 1.088 0.010 2 323 36 70 LYS HD2 H 1.516 0.007 2 324 36 70 LYS HD3 H 1.516 0.007 2 325 36 70 LYS HE2 H 2.863 0.005 2 326 36 70 LYS HE3 H 2.863 0.005 2 327 36 70 LYS CA C 55.459 0.001 1 328 36 70 LYS CB C 29.224 0.022 1 329 36 70 LYS CG C 21.654 0.029 1 330 36 70 LYS CD C 26.131 0.007 1 331 36 70 LYS CE C 39.337 0.018 1 332 36 70 LYS N N 118.341 0.003 1 333 37 71 TYR H H 7.611 0.001 1 334 37 71 TYR HA H 4.307 0.005 1 335 37 71 TYR HB2 H 2.772 0.004 2 336 37 71 TYR HB3 H 3.331 0.003 2 337 37 71 TYR HD1 H 7.212 0.006 3 338 37 71 TYR HD2 H 7.212 0.006 3 339 37 71 TYR HE1 H 6.597 0.007 3 340 37 71 TYR HE2 H 6.597 0.007 3 341 37 71 TYR CA C 56.234 0.019 1 342 37 71 TYR CB C 36.635 0.004 1 343 37 71 TYR CD2 C 132.734 0.000 3 344 37 71 TYR CE2 C 118.533 0.000 3 345 37 71 TYR N N 115.014 0.006 1 346 38 72 GLY H H 7.356 0.000 1 347 38 72 GLY HA2 H 3.821 0.001 2 348 38 72 GLY HA3 H 4.668 0.011 2 349 38 72 GLY CA C 41.629 0.000 1 350 38 72 GLY N N 104.741 0.000 1 351 39 73 ARG H H 7.990 0.003 1 352 39 73 ARG HA H 4.368 0.011 1 353 39 73 ARG HB2 H 1.929 0.007 2 354 39 73 ARG HB3 H 1.929 0.007 2 355 39 73 ARG HG2 H 1.637 0.000 2 356 39 73 ARG HG3 H 1.776 0.000 2 357 39 73 ARG HD2 H 3.163 0.003 2 358 39 73 ARG HD3 H 3.163 0.003 2 359 39 73 ARG HE H 7.554 0.000 1 360 39 73 ARG CA C 54.703 0.000 1 361 39 73 ARG CB C 27.852 0.007 1 362 39 73 ARG CD C 40.767 0.031 1 363 39 73 ARG N N 115.783 0.009 1 364 39 73 ARG NE N 84.271 0.000 1 365 40 74 VAL H H 8.846 0.001 1 366 40 74 VAL HA H 3.699 0.006 1 367 40 74 VAL HB H 1.887 0.005 1 368 40 74 VAL HG1 H 0.484 0.003 2 369 40 74 VAL HG2 H 0.560 0.004 2 370 40 74 VAL CA C 59.483 0.000 1 371 40 74 VAL CB C 30.299 0.000 1 372 40 74 VAL CG1 C 19.514 0.011 2 373 40 74 VAL CG2 C 19.752 0.002 2 374 40 74 VAL N N 130.246 0.012 1 375 41 75 GLY H H 8.943 0.001 1 376 41 75 GLY HA2 H 3.354 0.007 2 377 41 75 GLY HA3 H 4.324 0.003 2 378 41 75 GLY CA C 42.905 0.022 1 379 41 75 GLY N N 114.952 0.011 1 380 42 76 ASP H H 7.224 0.003 1 381 42 76 ASP HA H 4.712 0.005 1 382 42 76 ASP HB2 H 2.873 0.006 2 383 42 76 ASP HB3 H 2.873 0.006 2 384 42 76 ASP CA C 52.514 0.006 1 385 42 76 ASP N N 115.344 0.024 1 386 43 77 VAL H H 7.551 0.008 1 387 43 77 VAL HA H 4.723 0.000 1 388 43 77 VAL HB H 1.875 0.003 1 389 43 77 VAL HG1 H 0.810 0.002 2 390 43 77 VAL HG2 H 0.863 0.006 2 391 43 77 VAL CA C 59.347 0.000 1 392 43 77 VAL CB C 32.582 0.019 1 393 43 77 VAL CG1 C 19.385 0.012 2 394 43 77 VAL CG2 C 19.527 0.008 2 395 43 77 VAL N N 122.703 0.019 1 396 44 78 TYR H H 9.023 0.002 1 397 44 78 TYR HA H 4.971 0.006 1 398 44 78 TYR HB2 H 2.588 0.000 2 399 44 78 TYR HB3 H 2.987 0.000 2 400 44 78 TYR HD1 H 6.685 0.004 3 401 44 78 TYR HD2 H 6.685 0.004 3 402 44 78 TYR HE1 H 6.554 0.008 3 403 44 78 TYR HE2 H 6.554 0.008 3 404 44 78 TYR CA C 53.306 0.000 1 405 44 78 TYR CD2 C 131.470 0.002 3 406 44 78 TYR CE2 C 118.090 0.000 3 407 44 78 TYR N N 125.956 0.014 1 408 45 79 ILE H H 8.231 0.000 1 409 45 79 ILE HA H 4.256 0.005 1 410 45 79 ILE HB H 1.567 0.003 1 411 45 79 ILE HG12 H 1.137 0.006 2 412 45 79 ILE HG13 H 1.137 0.006 2 413 45 79 ILE HG2 H 0.611 0.005 2 414 45 79 ILE HD1 H 0.477 0.003 2 415 45 79 ILE CA C 55.398 0.000 1 416 45 79 ILE CB C 36.314 0.003 1 417 45 79 ILE CG1 C 24.505 0.017 1 418 45 79 ILE CG2 C 13.995 0.002 1 419 45 79 ILE CD1 C 10.803 0.013 1 420 45 79 ILE N N 129.856 0.014 1 421 46 80 PRO HA H 3.904 0.002 1 422 46 80 PRO HG2 H 1.612 0.013 2 423 46 80 PRO HG3 H 1.612 0.013 2 424 46 80 PRO HD2 H 2.883 0.000 2 425 46 80 PRO HD3 H 3.072 0.000 2 426 46 80 PRO CA C 59.641 0.024 1 427 46 80 PRO CD C 47.209 0.034 1 428 47 81 ARG H H 8.593 0.000 1 429 48 82 ASP H H 8.948 0.006 1 430 48 82 ASP HA H 4.382 0.004 1 431 48 82 ASP HB2 H 2.525 0.002 2 432 48 82 ASP HB3 H 2.972 0.006 2 433 48 82 ASP CA C 52.459 0.002 1 434 48 82 ASP CB C 41.308 0.002 1 435 48 82 ASP N N 125.712 0.016 1 436 49 83 ARG H H 8.688 0.006 1 437 49 83 ARG HA H 3.696 0.005 1 438 49 83 ARG HB2 H 0.769 0.003 2 439 49 83 ARG HB3 H 0.769 0.003 2 440 49 83 ARG HD2 H 2.453 0.000 2 441 49 83 ARG HD3 H 2.453 0.000 2 442 49 83 ARG CA C 55.614 0.015 1 443 49 83 ARG CD C 40.675 0.000 1 444 49 83 ARG N N 125.207 0.006 1 445 50 84 TYR H H 8.449 0.006 1 446 50 84 TYR HA H 4.594 0.008 1 447 50 84 TYR HB2 H 3.013 0.004 2 448 50 84 TYR HB3 H 3.102 0.003 2 449 50 84 TYR HD1 H 7.178 0.004 3 450 50 84 TYR HD2 H 7.178 0.004 3 451 50 84 TYR HE1 H 6.771 0.006 3 452 50 84 TYR HE2 H 6.771 0.006 3 453 50 84 TYR CA C 56.766 0.000 1 454 50 84 TYR CB C 36.187 0.025 1 455 50 84 TYR CD2 C 133.232 0.006 3 456 50 84 TYR CE2 C 118.184 0.017 3 457 50 84 TYR N N 117.911 0.009 1 458 51 85 THR H H 9.141 0.002 1 459 51 85 THR HA H 4.230 0.002 1 460 51 85 THR HB H 4.357 0.002 1 461 51 85 THR HG2 H 1.235 0.003 2 462 51 85 THR CA C 59.620 0.006 1 463 51 85 THR CB C 67.745 0.009 1 464 51 85 THR CG2 C 18.754 0.003 1 465 51 85 THR N N 110.450 0.006 1 466 52 86 LYS H H 7.821 0.006 1 467 52 86 LYS HA H 3.955 0.000 1 468 52 86 LYS HB2 H 1.964 0.000 2 469 52 86 LYS HB3 H 2.151 0.000 2 470 52 86 LYS HG2 H 1.191 0.002 2 471 52 86 LYS HG3 H 1.378 0.000 2 472 52 86 LYS HD2 H 1.594 0.004 2 473 52 86 LYS HD3 H 1.594 0.004 2 474 52 86 LYS HE2 H 2.950 0.019 2 475 52 86 LYS HE3 H 2.950 0.019 2 476 52 86 LYS CA C 54.428 0.000 1 477 52 86 LYS CG C 22.048 0.000 1 478 52 86 LYS CD C 25.946 0.000 1 479 52 86 LYS CE C 39.827 0.000 1 480 52 86 LYS N N 113.570 0.008 1 481 53 87 GLU H H 7.714 0.002 1 482 53 87 GLU HA H 4.380 0.007 1 483 53 87 GLU HB2 H 1.716 0.003 2 484 53 87 GLU HB3 H 1.977 0.002 2 485 53 87 GLU HG2 H 2.157 0.003 2 486 53 87 GLU HG3 H 2.249 0.000 2 487 53 87 GLU CA C 52.641 0.000 1 488 53 87 GLU CB C 28.841 0.026 1 489 53 87 GLU CG C 33.382 0.009 1 490 53 87 GLU N N 118.364 0.005 1 491 54 88 SER H H 8.705 0.005 1 492 54 88 SER HB2 H 3.685 0.002 2 493 54 88 SER HB3 H 3.976 0.001 2 494 54 88 SER CB C 61.369 0.022 1 495 54 88 SER N N 115.692 0.004 1 496 55 89 ARG H H 7.934 0.001 1 497 55 89 ARG HA H 4.317 0.004 1 498 55 89 ARG HB2 H 1.270 0.003 2 499 55 89 ARG HB3 H 1.270 0.003 2 500 55 89 ARG HG2 H 1.554 0.000 2 501 55 89 ARG HG3 H 1.554 0.000 2 502 55 89 ARG CA C 53.794 0.016 1 503 55 89 ARG N N 122.170 0.004 1 504 56 90 GLY H H 8.557 0.005 1 505 56 90 GLY HA2 H 3.444 0.007 2 506 56 90 GLY HA3 H 4.295 0.003 2 507 56 90 GLY CA C 43.275 0.011 1 508 56 90 GLY N N 106.948 0.001 1 509 57 91 PHE H H 6.936 0.001 1 510 57 91 PHE HA H 5.592 0.009 1 511 57 91 PHE HB2 H 2.844 0.012 2 512 57 91 PHE HB3 H 3.028 0.003 2 513 57 91 PHE HD1 H 6.472 0.003 3 514 57 91 PHE HD2 H 6.472 0.003 3 515 57 91 PHE HE1 H 6.950 0.002 3 516 57 91 PHE HE2 H 6.950 0.002 3 517 57 91 PHE HZ H 7.019 0.000 1 518 57 91 PHE CA C 51.911 0.022 1 519 57 91 PHE CB C 39.778 0.006 1 520 57 91 PHE CD1 C 132.389 0.017 3 521 57 91 PHE CE1 C 130.999 0.000 3 522 57 91 PHE CZ C 128.237 0.000 1 523 57 91 PHE N N 113.487 0.021 1 524 58 92 ALA H H 8.848 0.003 1 525 58 92 ALA HA H 4.748 0.004 1 526 58 92 ALA HB H 0.846 0.001 2 527 58 92 ALA CA C 46.535 0.034 1 528 58 92 ALA CB C 23.598 0.000 1 529 58 92 ALA N N 117.841 0.007 1 530 59 93 PHE H H 8.824 0.007 1 531 59 93 PHE HA H 5.673 0.003 1 532 59 93 PHE HB2 H 2.675 0.003 2 533 59 93 PHE HB3 H 2.791 0.003 2 534 59 93 PHE HD1 H 6.833 0.005 3 535 59 93 PHE HD2 H 6.833 0.005 3 536 59 93 PHE HZ H 6.825 0.005 1 537 59 93 PHE CA C 53.862 0.008 1 538 59 93 PHE CB C 37.898 0.000 1 539 59 93 PHE CD1 C 131.452 0.023 3 540 59 93 PHE CZ C 129.792 0.008 1 541 59 93 PHE N N 115.981 0.003 1 542 60 94 VAL H H 8.581 0.001 1 543 60 94 VAL HA H 4.304 0.003 1 544 60 94 VAL HB H 1.260 0.003 1 545 60 94 VAL HG1 H 0.257 0.005 2 546 60 94 VAL HG2 H 0.278 0.005 2 547 60 94 VAL CA C 58.931 0.014 1 548 60 94 VAL CB C 31.429 0.031 1 549 60 94 VAL CG1 C 18.282 0.007 2 550 60 94 VAL CG2 C 18.331 0.007 2 551 60 94 VAL N N 123.120 0.007 1 552 61 95 ARG H H 8.727 0.003 1 553 61 95 ARG HA H 5.552 0.006 1 554 61 95 ARG HB2 H 1.637 0.000 2 555 61 95 ARG HB3 H 1.637 0.000 2 556 61 95 ARG HG2 H 1.239 0.003 2 557 61 95 ARG HG3 H 1.239 0.003 2 558 61 95 ARG HD2 H 2.844 0.011 2 559 61 95 ARG HD3 H 2.844 0.011 2 560 61 95 ARG HE H 6.946 0.001 1 561 61 95 ARG CA C 50.515 0.000 1 562 61 95 ARG CD C 40.978 0.020 1 563 61 95 ARG N N 123.954 0.023 1 564 61 95 ARG NE N 84.375 0.029 1 565 62 96 PHE H H 9.127 0.007 1 566 62 96 PHE HA H 4.903 0.005 1 567 62 96 PHE HB2 H 2.613 0.007 2 568 62 96 PHE HB3 H 3.707 0.006 2 569 62 96 PHE HD1 H 7.150 0.010 3 570 62 96 PHE HD2 H 7.150 0.010 3 571 62 96 PHE HE1 H 7.053 0.001 3 572 62 96 PHE HE2 H 7.053 0.001 3 573 62 96 PHE HZ H 7.463 0.002 1 574 62 96 PHE CA C 54.566 0.003 1 575 62 96 PHE CB C 39.886 0.022 1 576 62 96 PHE CD1 C 131.753 0.022 3 577 62 96 PHE CE1 C 131.279 0.000 3 578 62 96 PHE CZ C 129.885 0.000 1 579 62 96 PHE N N 121.921 0.012 1 580 63 97 HIS H H 7.982 0.000 1 581 63 97 HIS HA H 4.338 0.007 1 582 63 97 HIS HB2 H 3.149 0.003 2 583 63 97 HIS HB3 H 3.309 0.010 2 584 63 97 HIS HD2 H 6.815 0.001 1 585 63 97 HIS HE1 H 8.079 0.000 1 586 63 97 HIS CA C 57.261 0.022 1 587 63 97 HIS CB C 27.288 0.022 1 588 63 97 HIS CD2 C 120.406 0.019 1 589 63 97 HIS CE1 C 138.613 0.026 1 590 63 97 HIS N N 120.064 0.007 1 591 64 98 ASP H H 9.096 0.001 1 592 64 98 ASP HA H 5.059 0.004 1 593 64 98 ASP HB2 H 2.595 0.003 2 594 64 98 ASP HB3 H 2.881 0.003 2 595 64 98 ASP CA C 50.195 0.021 1 596 64 98 ASP CB C 41.098 0.020 1 597 64 98 ASP N N 119.665 0.004 1 598 65 99 LYS H H 8.784 0.001 1 599 65 99 LYS HA H 3.845 0.005 1 600 65 99 LYS HB2 H 1.784 0.003 2 601 65 99 LYS HB3 H 1.940 0.002 2 602 65 99 LYS HG2 H 1.340 0.000 2 603 65 99 LYS HG3 H 1.419 0.002 2 604 65 99 LYS HD2 H 1.686 0.000 2 605 65 99 LYS HD3 H 1.686 0.000 2 606 65 99 LYS HE2 H 2.954 0.007 2 607 65 99 LYS HE3 H 2.954 0.007 2 608 65 99 LYS CA C 57.396 0.011 1 609 65 99 LYS CB C 30.246 0.018 1 610 65 99 LYS CG C 21.911 0.000 1 611 65 99 LYS CE C 39.391 0.007 1 612 65 99 LYS N N 127.804 0.008 1 613 66 100 ARG H H 8.600 0.004 1 614 66 100 ARG HA H 4.070 0.001 1 615 66 100 ARG HB2 H 1.831 0.005 2 616 66 100 ARG HB3 H 1.831 0.005 2 617 66 100 ARG HG2 H 1.714 0.003 2 618 66 100 ARG HG3 H 1.714 0.003 2 619 66 100 ARG HD2 H 3.212 0.007 2 620 66 100 ARG HD3 H 3.212 0.007 2 621 66 100 ARG HE H 7.474 0.000 1 622 66 100 ARG CA C 56.139 0.025 1 623 66 100 ARG CB C 26.766 0.014 1 624 66 100 ARG CG C 24.235 0.009 1 625 66 100 ARG CD C 40.649 0.000 1 626 66 100 ARG N N 118.451 0.004 1 627 66 100 ARG NE N 85.570 0.000 1 628 67 101 ASP H H 7.089 0.009 1 629 67 101 ASP HA H 4.194 0.002 1 630 67 101 ASP HB2 H 2.623 0.005 2 631 67 101 ASP HB3 H 2.926 0.007 2 632 67 101 ASP CA C 54.233 0.005 1 633 67 101 ASP CB C 37.996 0.009 1 634 67 101 ASP N N 119.627 0.004 1 635 68 102 ALA H H 6.832 0.000 1 636 68 102 ALA HA H 2.964 0.007 1 637 68 102 ALA HB H 1.307 0.004 2 638 68 102 ALA CA C 51.703 0.005 1 639 68 102 ALA CB C 15.668 0.007 1 640 68 102 ALA N N 119.421 0.007 1 641 69 103 GLU H H 8.011 0.005 1 642 69 103 GLU HA H 3.658 0.005 1 643 69 103 GLU HB2 H 1.931 0.002 2 644 69 103 GLU HB3 H 1.931 0.002 2 645 69 103 GLU HG2 H 2.087 0.000 2 646 69 103 GLU HG3 H 2.414 0.002 2 647 69 103 GLU CA C 57.162 0.000 1 648 69 103 GLU CB C 26.425 0.008 1 649 69 103 GLU CG C 34.070 0.006 1 650 69 103 GLU N N 117.506 0.005 1 651 70 104 ASP H H 8.020 0.000 1 652 70 104 ASP HA H 4.266 0.002 1 653 70 104 ASP HB2 H 2.709 0.004 2 654 70 104 ASP HB3 H 2.973 0.004 2 655 70 104 ASP CA C 54.488 0.016 1 656 70 104 ASP CB C 37.462 0.010 1 657 70 104 ASP N N 120.487 0.004 1 658 71 105 ALA H H 8.118 0.000 1 659 71 105 ALA HA H 2.775 0.004 1 660 71 105 ALA HB H 1.261 0.002 2 661 71 105 ALA CA C 51.745 0.004 1 662 71 105 ALA CB C 17.208 0.005 1 663 71 105 ALA N N 122.179 0.001 1 664 72 106 MET H H 8.279 0.000 1 665 72 106 MET HA H 3.655 0.008 1 666 72 106 MET HB2 H 1.899 0.008 2 667 72 106 MET HB3 H 2.247 0.002 2 668 72 106 MET HG2 H 2.365 0.003 2 669 72 106 MET HG3 H 2.365 0.003 2 670 72 106 MET HE H 2.115 0.005 2 671 72 106 MET CA C 57.188 0.001 1 672 72 106 MET CB C 30.409 0.012 1 673 72 106 MET CG C 28.301 0.000 1 674 72 106 MET CE C 14.627 0.000 1 675 72 106 MET N N 118.380 0.002 1 676 73 107 ASP H H 7.749 0.005 1 677 73 107 ASP HA H 4.327 0.004 1 678 73 107 ASP HB2 H 2.632 0.002 2 679 73 107 ASP HB3 H 2.731 0.002 2 680 73 107 ASP CA C 54.059 0.015 1 681 73 107 ASP CB C 38.093 0.028 1 682 73 107 ASP N N 117.030 0.002 1 683 74 108 ALA H H 7.347 0.004 1 684 74 108 ALA HA H 4.124 0.005 1 685 74 108 ALA HB H 1.080 0.004 2 686 74 108 ALA CA C 51.334 0.007 1 687 74 108 ALA CB C 17.659 0.009 1 688 74 108 ALA N N 117.995 0.000 1 689 75 109 MET H H 8.057 0.001 1 690 75 109 MET HA H 4.742 0.003 1 691 75 109 MET HB2 H 1.935 0.002 2 692 75 109 MET HB3 H 1.935 0.002 2 693 75 109 MET HG2 H 1.677 0.000 2 694 75 109 MET HG3 H 1.771 0.000 2 695 75 109 MET HE H 1.493 0.007 2 696 75 109 MET CA C 50.546 0.015 1 697 75 109 MET CE C 12.561 0.014 1 698 75 109 MET N N 112.202 0.007 1 699 76 110 ASP H H 7.825 0.001 1 700 76 110 ASP HA H 4.386 0.000 1 701 76 110 ASP HB2 H 2.773 0.003 2 702 76 110 ASP HB3 H 3.032 0.001 2 703 76 110 ASP CA C 54.945 0.000 1 704 76 110 ASP CB C 38.604 0.023 1 705 76 110 ASP N N 120.043 0.003 1 706 77 111 GLY H H 8.636 0.001 1 707 77 111 GLY HA2 H 3.682 0.004 2 708 77 111 GLY HA3 H 4.243 0.004 2 709 77 111 GLY CA C 43.016 0.021 1 710 77 111 GLY N N 117.743 0.001 1 711 78 112 ALA H H 7.909 0.005 1 712 78 112 ALA HA H 4.319 0.004 1 713 78 112 ALA HB H 1.448 0.002 2 714 78 112 ALA CA C 49.036 0.000 1 715 78 112 ALA CB C 17.448 0.008 1 716 78 112 ALA N N 123.755 0.001 1 717 79 113 VAL H H 8.083 0.003 1 718 79 113 VAL HA H 4.613 0.000 1 719 79 113 VAL HB H 1.788 0.004 1 720 79 113 VAL HG1 H 0.662 0.002 2 721 79 113 VAL HG2 H 0.837 0.004 2 722 79 113 VAL CB C 29.572 0.000 1 723 79 113 VAL CG1 C 18.415 0.007 2 724 79 113 VAL CG2 C 19.166 0.002 2 725 79 113 VAL N N 118.703 0.001 1 726 80 114 LEU H H 8.895 0.000 1 727 80 114 LEU HA H 4.543 0.007 1 728 80 114 LEU HB2 H 1.183 0.006 2 729 80 114 LEU HB3 H 1.802 0.007 2 730 80 114 LEU HG H 1.430 0.005 1 731 80 114 LEU HD1 H 0.821 0.002 2 732 80 114 LEU HD2 H 0.903 0.003 2 733 80 114 LEU CA C 51.942 0.000 1 734 80 114 LEU CB C 42.585 0.027 1 735 80 114 LEU CG C 25.134 0.000 1 736 80 114 LEU CD1 C 23.794 0.020 2 737 80 114 LEU CD2 C 21.578 0.020 2 738 80 114 LEU N N 129.473 0.004 1 739 81 115 ASP H H 9.428 0.002 1 740 81 115 ASP HA H 4.229 0.002 1 741 81 115 ASP HB2 H 2.221 0.004 2 742 81 115 ASP HB3 H 3.087 0.003 2 743 81 115 ASP CA C 52.252 0.013 1 744 81 115 ASP CB C 37.272 0.021 1 745 81 115 ASP N N 129.660 0.006 1 746 82 116 GLY H H 7.978 0.005 1 747 82 116 GLY HA2 H 3.466 0.003 2 748 82 116 GLY HA3 H 4.019 0.003 2 749 82 116 GLY CA C 42.881 0.022 1 750 82 116 GLY N N 100.557 0.003 1 751 83 117 ARG H H 7.493 0.004 1 752 83 117 ARG HA H 4.550 0.002 1 753 83 117 ARG HB2 H 1.802 0.003 2 754 83 117 ARG HB3 H 1.877 0.001 2 755 83 117 ARG HG2 H 1.430 0.002 2 756 83 117 ARG HG3 H 1.430 0.002 2 757 83 117 ARG HD2 H 3.004 0.002 2 758 83 117 ARG HD3 H 3.004 0.002 2 759 83 117 ARG HE H 6.914 0.000 1 760 83 117 ARG CA C 51.106 0.018 1 761 83 117 ARG CB C 30.645 0.002 1 762 83 117 ARG CG C 24.266 0.000 1 763 83 117 ARG CD C 40.353 0.013 1 764 83 117 ARG N N 120.104 0.003 1 765 83 117 ARG NE N 84.608 0.000 1 766 84 118 GLU H H 8.352 0.015 1 767 84 118 GLU HA H 4.303 0.002 1 768 84 118 GLU HB2 H 1.783 0.005 2 769 84 118 GLU HB3 H 1.867 0.003 2 770 84 118 GLU HG2 H 2.061 0.001 2 771 84 118 GLU HG3 H 2.138 0.001 2 772 84 118 GLU CA C 53.429 0.000 1 773 84 118 GLU CB C 27.126 0.018 1 774 84 118 GLU CG C 33.689 0.000 1 775 84 118 GLU N N 121.206 0.005 1 776 85 119 LEU H H 9.349 0.001 1 777 85 119 LEU HA H 4.562 0.000 1 778 85 119 LEU HB2 H 1.232 0.002 2 779 85 119 LEU HB3 H 2.137 0.006 2 780 85 119 LEU HG H 1.896 0.000 1 781 85 119 LEU HD1 H 0.738 0.003 2 782 85 119 LEU HD2 H 0.754 0.003 2 783 85 119 LEU CA C 52.523 0.000 1 784 85 119 LEU CB C 40.811 0.000 1 785 85 119 LEU CD1 C 19.948 0.010 2 786 85 119 LEU CD2 C 22.730 0.016 2 787 85 119 LEU N N 127.970 0.002 1 788 86 120 ARG H H 7.512 0.006 1 789 86 120 ARG HA H 5.174 0.005 1 790 86 120 ARG HB2 H 1.690 0.009 2 791 86 120 ARG HB3 H 1.851 0.005 2 792 86 120 ARG HG2 H 1.583 0.000 2 793 86 120 ARG HG3 H 1.652 0.006 2 794 86 120 ARG HD2 H 3.248 0.003 2 795 86 120 ARG HD3 H 3.248 0.003 2 796 86 120 ARG HE H 7.652 0.001 1 797 86 120 ARG CA C 51.595 0.014 1 798 86 120 ARG CB C 29.692 0.015 1 799 86 120 ARG CG C 24.226 0.015 1 800 86 120 ARG CD C 40.581 0.012 1 801 86 120 ARG N N 121.001 0.008 1 802 86 120 ARG NE N 85.083 0.004 1 803 87 121 VAL H H 9.437 0.007 1 804 87 121 VAL HA H 4.938 0.007 1 805 87 121 VAL HB H 1.938 0.002 1 806 87 121 VAL HG1 H 1.022 0.002 2 807 87 121 VAL HG2 H 0.964 0.004 2 808 87 121 VAL CA C 58.766 0.014 1 809 87 121 VAL CG1 C 19.699 0.022 2 810 87 121 VAL CG2 C 22.001 0.022 2 811 87 121 VAL N N 125.999 0.013 1 812 88 122 GLN H H 8.301 0.005 1 813 88 122 GLN HA H 4.969 0.009 1 814 88 122 GLN HB2 H 1.988 0.002 2 815 88 122 GLN HB3 H 2.091 0.001 2 816 88 122 GLN HG2 H 2.093 0.003 2 817 88 122 GLN HG3 H 2.281 0.002 2 818 88 122 GLN HE21 H 7.376 0.000 2 819 88 122 GLN HE22 H 6.809 0.000 2 820 88 122 GLN CA C 50.899 0.016 1 821 88 122 GLN CB C 31.157 0.009 1 822 88 122 GLN CG C 30.526 0.018 1 823 88 122 GLN N N 121.684 0.005 1 824 88 122 GLN NE2 N 112.425 0.010 1 825 89 123 MET H H 8.714 0.002 1 826 89 123 MET HA H 4.529 0.002 1 827 89 123 MET HB2 H 1.878 0.007 2 828 89 123 MET HB3 H 2.013 0.000 2 829 89 123 MET HG2 H 2.539 0.004 2 830 89 123 MET HG3 H 2.743 0.007 2 831 89 123 MET HE H 1.927 0.010 2 832 89 123 MET CA C 53.328 0.018 1 833 89 123 MET CB C 28.750 0.006 1 834 89 123 MET CG C 29.885 0.033 1 835 89 123 MET CE C 14.674 0.014 1 836 89 123 MET N N 121.937 0.002 1 837 90 124 ALA H H 8.437 0.004 1 838 90 124 ALA HA H 4.417 0.004 1 839 90 124 ALA HB H 1.411 0.005 2 840 90 124 ALA CA C 49.803 0.019 1 841 90 124 ALA CB C 15.252 0.021 1 842 90 124 ALA N N 126.984 0.013 1 843 91 125 ARG H H 9.886 0.010 1 844 92 126 TYR HB2 H 3.038 0.000 2 845 92 126 TYR HB3 H 3.038 0.000 2 846 92 126 TYR HD1 H 6.367 0.017 3 847 92 126 TYR HD2 H 6.367 0.017 3 848 92 126 TYR HE1 H 6.518 0.004 3 849 92 126 TYR HE2 H 6.518 0.004 3 850 92 126 TYR CD1 C 132.785 0.000 3 851 92 126 TYR CE1 C 117.698 0.022 3 852 93 127 GLY HA2 H 3.806 0.003 2 853 93 127 GLY HA3 H 4.203 0.007 2 854 93 127 GLY CA C 41.736 0.027 1 855 94 128 ARG H H 8.245 0.006 1 856 94 128 ARG N N 120.921 0.006 1 857 95 129 PRO HA H 4.593 0.001 1 858 95 129 PRO HB2 H 2.271 0.011 2 859 95 129 PRO HB3 H 2.271 0.011 2 860 95 129 PRO HG2 H 2.030 0.007 2 861 95 129 PRO HG3 H 2.030 0.007 2 862 95 129 PRO HD2 H 3.448 0.003 2 863 95 129 PRO HD3 H 3.801 0.004 2 864 95 129 PRO CA C 58.989 0.000 1 865 95 129 PRO CG C 24.735 0.000 1 866 95 129 PRO CD C 47.774 0.026 1 867 96 130 PRO HA H 4.317 0.006 1 868 96 130 PRO HB2 H 2.203 0.005 2 869 96 130 PRO HB3 H 2.203 0.005 2 870 96 130 PRO HG2 H 1.936 0.007 2 871 96 130 PRO HG3 H 1.936 0.007 2 872 96 130 PRO HD2 H 3.575 0.004 2 873 96 130 PRO HD3 H 3.699 0.003 2 874 96 130 PRO CA C 60.395 0.014 1 875 96 130 PRO CB C 29.261 0.025 1 876 96 130 PRO CG C 24.589 0.000 1 877 96 130 PRO CD C 47.764 0.015 1 878 97 131 ASP H H 8.196 0.004 1 879 97 131 ASP HA H 4.492 0.000 1 880 97 131 ASP HB2 H 2.574 0.001 2 881 97 131 ASP HB3 H 2.574 0.001 2 882 97 131 ASP CA C 51.415 0.005 1 883 97 131 ASP CB C 38.553 0.022 1 884 97 131 ASP N N 119.855 0.002 1 885 98 132 SER H H 8.070 0.003 1 886 98 132 SER HA H 4.286 0.002 1 887 98 132 SER HB2 H 3.716 0.000 2 888 98 132 SER HB3 H 3.778 0.002 2 889 98 132 SER CA C 55.729 0.003 1 890 98 132 SER CB C 61.088 0.006 1 891 98 132 SER N N 116.150 0.006 1 892 99 133 HIS H H 8.322 0.001 1 893 99 133 HIS HB2 H 3.027 0.000 2 894 99 133 HIS HB3 H 3.103 0.000 2 895 99 133 HIS HD2 H 7.089 0.001 1 896 99 133 HIS HE1 H 8.272 0.004 1 897 99 133 HIS CB C 27.067 0.006 1 898 99 133 HIS CD2 C 119.978 0.000 1 899 99 133 HIS CE1 C 137.251 0.015 1 900 99 133 HIS N N 119.771 0.007 1 901 100 134 HIS HB2 H 3.155 0.000 2 902 100 134 HIS HB3 H 3.155 0.000 2 903 100 134 HIS HD2 H 7.166 0.000 1 904 100 134 HIS CD2 C 120.218 0.000 1 905 101 135 SER H H 8.144 0.006 1 906 101 135 SER HA H 4.261 0.000 1 907 101 135 SER HB2 H 3.855 0.001 2 908 101 135 SER HB3 H 3.855 0.001 2 909 101 135 SER CA C 57.462 0.004 1 910 101 135 SER CB C 61.986 0.027 1 911 101 135 SER N N 123.049 0.002 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-13C NOESY' '3D 1H-15N NOESY' '2D 1H-1H NOESY' stop_ loop_ _Sample_label $SRSF2_RRM_+_UGGAGU_sample_1 $SRSF2_RRM_+_UGGAGU_D2O stop_ _Sample_conditions_label $SRSF2_RRM_+_UGGAGU_sample_conditions _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'RNA (5'-R(*UP*GP*GP*AP*GP*U)-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 1 102 1 U H1' H 5.884 0.001 1 2 102 1 U H2' H 4.462 0.002 1 3 102 1 U H3' H 4.574 0.002 1 4 102 1 U H4' H 4.234 0.004 1 5 102 1 U H5 H 5.885 0.000 1 6 102 1 U H6 H 7.831 0.026 1 7 102 1 U H5' H 3.848 0.004 1 8 103 2 G H1' H 6.134 0.001 1 9 103 2 G H2' H 5.510 0.004 1 10 103 2 G H3' H 4.861 0.002 1 11 103 2 G H4' H 4.408 0.002 1 12 103 2 G H5' H 3.471 0.003 1 13 103 2 G H5'' H 3.083 0.000 1 14 103 2 G H8 H 8.224 0.002 1 15 104 3 G H1' H 6.010 0.008 1 16 104 3 G H2' H 5.345 0.003 1 17 104 3 G H3' H 4.453 0.005 1 18 104 3 G H4' H 4.057 0.007 1 19 104 3 G H8 H 7.587 0.003 1 20 105 4 A H1' H 6.147 0.002 1 21 105 4 A H2 H 8.193 0.000 1 22 105 4 A H2' H 4.960 0.018 1 23 105 4 A H3' H 5.000 0.014 1 24 105 4 A H4' H 4.680 0.002 1 25 105 4 A H8 H 8.543 0.002 1 26 105 4 A H5' H 4.389 0.001 1 27 106 5 G H1' H 5.911 0.003 1 28 106 5 G H2' H 4.672 0.005 1 29 106 5 G H3' H 4.728 0.003 1 30 106 5 G H4' H 4.409 0.008 1 31 106 5 G H8 H 7.945 0.006 1 32 106 5 G H5' H 4.122 0.003 1 33 107 6 U H1' H 5.956 0.003 1 34 107 6 U H3' H 4.341 0.000 1 35 107 6 U H4' H 4.271 0.025 1 36 107 6 U H5 H 5.958 0.000 1 37 107 6 U H6 H 7.904 0.003 1 stop_ save_