data_4867 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; SOLUTION STRUCTURE OF NUCLEOLIN RBD12 IN COMPLEX WITH SNRE RNA ; _BMRB_accession_number 4867 _BMRB_flat_file_name bmr4867.str _Entry_type original _Submission_date 2000-10-18 _Accession_date 2000-10-18 _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 Allain F. H.T. . 2 Bouvet P. . . 3 Dieckmann T. . . 4 Feigon J. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1144 "13C chemical shifts" 628 "15N chemical shifts" 192 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-11-14 original author . stop_ _Original_release_date 2001-11-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Molecular Basis of Sequence-specific Recognition of Pre-ribosomal RNA by Nucleolin ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 11118222 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Allain F. H.T. . 2 Bouvet P. . . 3 Dieckmann T. . . 4 Feigon J. . . stop_ _Journal_abbreviation 'EMBO Journal' _Journal_volume 19 _Journal_issue 24 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 6870 _Page_last 6881 _Year 2000 _Details . loop_ _Keyword Nucleolus RBD 'RNA binding domain' 'RNA-protein complex' RNP RRM stop_ save_ ################################## # Molecular system description # ################################## save_rbd12-sNRE _Saveframe_category molecular_system _Mol_system_name 'NUCLEOLIN RBD12/RNA COMPLEX' _Abbreviation_common rbd12-sNRE _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'SNRE RNA' $sNRE 'NUCLEOLIN RBD12' $RBD12 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_sNRE _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common 'SNRE RNA' _Abbreviation_common sNRE _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 22 _Mol_residue_sequence ; GGCCGAAAUCCCGAAGUAGG CC ; loop_ _Residue_seq_code _Residue_label 1 G 2 G 3 C 4 C 5 G 6 A 7 A 8 A 9 U 10 C 11 C 12 C 13 G 14 A 15 A 16 G 17 U 18 A 19 G 20 G 21 C 22 C stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1FJE "Solution Structure Of Nucleolin Rbd12 In Complex With Snre Rna" 100.00 175 100.00 100.00 8.66e-119 PDB 1RKJ "Solution Structure Of The Complex Formed By The Two N- Terminal Rna-Binding Domains Of Nucleolin And A Pre-Rrna Target" 100.00 175 100.00 100.00 8.66e-119 GB EGW00584 "Nucleolin [Cricetulus griseus]" 98.86 479 98.84 98.84 5.87e-115 stop_ save_ save_RBD12 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'NUCLEOLIN RBD12' _Abbreviation_common RBD12 _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 175 _Mol_residue_sequence ; GSHMVEGSESTTPFNLFIGN LNPNKSVAELKVAISELFAK NDLAVVDVRTGTNRKFGYVD FESAEDLEKALELTGLKVFG NEIKLEKPKGRDSKKVRAAR TLLAKNLSFNITEDELKEVF EDALEIRLVSQDGKSKGIAY IEFKSEADAEKNLEEKQGAE IDGRSVSLYYTGEKG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 HIS 4 MET 5 VAL 6 GLU 7 GLY 8 SER 9 GLU 10 SER 11 THR 12 THR 13 PRO 14 PHE 15 ASN 16 LEU 17 PHE 18 ILE 19 GLY 20 ASN 21 LEU 22 ASN 23 PRO 24 ASN 25 LYS 26 SER 27 VAL 28 ALA 29 GLU 30 LEU 31 LYS 32 VAL 33 ALA 34 ILE 35 SER 36 GLU 37 LEU 38 PHE 39 ALA 40 LYS 41 ASN 42 ASP 43 LEU 44 ALA 45 VAL 46 VAL 47 ASP 48 VAL 49 ARG 50 THR 51 GLY 52 THR 53 ASN 54 ARG 55 LYS 56 PHE 57 GLY 58 TYR 59 VAL 60 ASP 61 PHE 62 GLU 63 SER 64 ALA 65 GLU 66 ASP 67 LEU 68 GLU 69 LYS 70 ALA 71 LEU 72 GLU 73 LEU 74 THR 75 GLY 76 LEU 77 LYS 78 VAL 79 PHE 80 GLY 81 ASN 82 GLU 83 ILE 84 LYS 85 LEU 86 GLU 87 LYS 88 PRO 89 LYS 90 GLY 91 ARG 92 ASP 93 SER 94 LYS 95 LYS 96 VAL 97 ARG 98 ALA 99 ALA 100 ARG 101 THR 102 LEU 103 LEU 104 ALA 105 LYS 106 ASN 107 LEU 108 SER 109 PHE 110 ASN 111 ILE 112 THR 113 GLU 114 ASP 115 GLU 116 LEU 117 LYS 118 GLU 119 VAL 120 PHE 121 GLU 122 ASP 123 ALA 124 LEU 125 GLU 126 ILE 127 ARG 128 LEU 129 VAL 130 SER 131 GLN 132 ASP 133 GLY 134 LYS 135 SER 136 LYS 137 GLY 138 ILE 139 ALA 140 TYR 141 ILE 142 GLU 143 PHE 144 LYS 145 SER 146 GLU 147 ALA 148 ASP 149 ALA 150 GLU 151 LYS 152 ASN 153 LEU 154 GLU 155 GLU 156 LYS 157 GLN 158 GLY 159 ALA 160 GLU 161 ILE 162 ASP 163 GLY 164 ARG 165 SER 166 VAL 167 SER 168 LEU 169 TYR 170 TYR 171 THR 172 GLY 173 GLU 174 LYS 175 GLY stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1FJE 'Solution Structure Of Nucleolin Rbd12 In Complex With Snre Rna' 100.00 175 100.00 100.00 6.16e-94 PDB 1RKJ 'Solution Structure Of The Complex Formed By The Two N- Terminal Rna-Binding Domains Of Nucleolin And A Pre-Rrna Target' 100.00 175 100.00 100.00 6.16e-94 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Details $sNRE . . unclassified . . . 'in vitro selected RNA by SELEX' $RBD12 'Golden Hamster' 10036 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 _Details $sNRE 'enzymatic semisynthesis' . . . . PET15-B 'RNA transcribed by T7 RNA polymerase' $RBD12 'recombinant technology' . . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $sNRE 1 mM . $RBD12 1 mM '[U-15N; U-13C]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $sNRE 1 mM '[U-15N; U-13C]' $RBD12 1 mM [U-15N] D2O 100 % . stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR _Saveframe_category software _Name X-PLOR _Version 3.841 loop_ _Task 'data refinement' 'structure solution' stop_ _Details BRUNGER save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label . save_ save_13C-12C_filtered_3D_2 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-12C filtered 3D' _Sample_label . save_ save_3D_15N-separated_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label . save_ save_2D_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-12C filtered 3D' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 150 . mM pH 6.2 0.1 n/a temperature 303 1.0 K stop_ save_ save_sample_cond_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 150 . mM pH 6.2 0.1 n/a temperature 318 1.0 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'NUCLEOLIN RBD12' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 5 VAL H H 8.09 0.02 1 2 . 5 VAL HA H 4.05 0.02 1 3 . 5 VAL HB H 1.95 0.02 1 4 . 5 VAL HG1 H 0.84 0.02 1 5 . 5 VAL HG2 H 0.84 0.02 1 6 . 5 VAL CA C 59.6 0.1 1 7 . 5 VAL CB C 29.9 0.1 1 8 . 5 VAL CG1 C 18.4 0.1 1 9 . 5 VAL CG2 C 18.4 0.1 1 10 . 6 GLU H H 8.50 0.02 1 11 . 6 GLU HA H 4.24 0.02 1 12 . 6 GLU HB2 H 1.92 0.02 1 13 . 6 GLU HB3 H 1.92 0.02 1 14 . 6 GLU HG2 H 2.22 0.02 1 15 . 6 GLU HG3 H 2.22 0.02 1 16 . 6 GLU CA C 54.5 0.1 1 17 . 6 GLU CB C 27.4 0.1 1 18 . 6 GLU CG C 33.9 0.1 1 19 . 6 GLU N N 124.7 0.1 1 20 . 7 GLY H H 8.46 0.02 1 21 . 7 GLY HA2 H 4.00 0.02 2 22 . 7 GLY HA3 H 3.85 0.02 2 23 . 7 GLY CA C 42.7 0.1 1 24 . 7 GLY N N 110.8 0.1 1 25 . 8 SER H H 8.00 0.02 1 26 . 8 SER HA H 4.31 0.02 1 27 . 8 SER HB2 H 3.65 0.02 1 28 . 8 SER HB3 H 3.65 0.02 1 29 . 8 SER CA C 55.0 0.1 1 30 . 8 SER CB C 61.7 0.1 1 31 . 8 SER N N 114.7 0.1 1 32 . 9 GLU H H 8.30 0.02 1 33 . 9 GLU HA H 4.04 0.02 1 34 . 9 GLU HB2 H 2.02 0.02 1 35 . 9 GLU HB3 H 2.02 0.02 1 36 . 9 GLU HG2 H 2.30 0.02 2 37 . 9 GLU HG3 H 1.91 0.02 2 38 . 9 GLU CA C 54.3 0.1 1 39 . 9 GLU CB C 26.4 0.1 1 40 . 9 GLU CG C 33.0 0.1 1 41 . 9 GLU N N 121.5 0.1 1 42 . 10 SER H H 7.84 0.02 1 43 . 10 SER HA H 4.46 0.02 1 44 . 10 SER HB2 H 3.74 0.02 1 45 . 10 SER HB3 H 3.74 0.02 1 46 . 10 SER CA C 54.3 0.1 1 47 . 10 SER CB C 62.1 0.1 1 48 . 10 SER N N 112.9 0.1 1 49 . 11 THR H H 9.10 0.02 1 50 . 11 THR HA H 4.28 0.02 1 51 . 11 THR HB H 4.17 0.02 1 52 . 11 THR HG2 H 1.10 0.02 1 53 . 11 THR CA C 60.0 0.1 1 54 . 11 THR CB C 67.6 0.1 1 55 . 11 THR CG2 C 19.0 0.1 1 56 . 11 THR N N 114.9 0.1 1 57 . 12 THR H H 7.49 0.02 1 58 . 12 THR HA H 4.75 0.02 1 59 . 12 THR HB H 4.50 0.02 1 60 . 12 THR HG2 H 1.20 0.02 1 61 . 12 THR CA C 55.8 0.1 1 62 . 12 THR CB C 67.5 0.1 1 63 . 12 THR CG2 C 19.5 0.1 1 64 . 12 THR N N 112.9 0.1 1 65 . 13 PRO HA H 4.35 0.02 1 66 . 13 PRO HB2 H 1.93 0.02 1 67 . 13 PRO HB3 H 1.93 0.02 1 68 . 13 PRO HG2 H 1.54 0.02 2 69 . 13 PRO HG3 H 0.83 0.02 2 70 . 13 PRO HD2 H 3.56 0.02 2 71 . 13 PRO HD3 H 3.15 0.02 2 72 . 13 PRO CA C 60.0 0.1 1 73 . 13 PRO CB C 28.7 0.1 1 74 . 13 PRO CG C 23.3 0.1 1 75 . 13 PRO CD C 48.1 0.1 1 76 . 14 PHE H H 7.72 0.02 1 77 . 14 PHE HA H 4.84 0.02 1 78 . 14 PHE HB2 H 3.11 0.02 2 79 . 14 PHE HB3 H 2.95 0.02 2 80 . 14 PHE HD1 H 7.11 0.02 1 81 . 14 PHE HD2 H 7.11 0.02 1 82 . 14 PHE HE1 H 7.36 0.02 1 83 . 14 PHE HE2 H 7.36 0.02 1 84 . 14 PHE CA C 52.6 0.1 1 85 . 14 PHE CB C 34.5 0.1 1 86 . 14 PHE N N 120.3 0.1 1 87 . 15 ASN H H 7.85 0.02 1 88 . 15 ASN HA H 6.11 0.02 1 89 . 15 ASN HB2 H 3.00 0.02 2 90 . 15 ASN HB3 H 2.60 0.02 2 91 . 15 ASN HD21 H 7.32 0.02 1 92 . 15 ASN HD22 H 6.55 0.02 1 93 . 15 ASN CA C 48.9 0.1 1 94 . 15 ASN CB C 40.0 0.1 1 95 . 15 ASN N N 120.5 0.1 1 96 . 15 ASN ND2 N 110.8 0.1 1 97 . 16 LEU H H 9.07 0.02 1 98 . 16 LEU HA H 4.72 0.02 1 99 . 16 LEU HB2 H 1.88 0.02 2 100 . 16 LEU HB3 H 1.58 0.02 2 101 . 16 LEU HG H 1.73 0.02 1 102 . 16 LEU HD1 H 0.91 0.02 1 103 . 16 LEU HD2 H 0.91 0.02 1 104 . 16 LEU CA C 51.6 0.1 1 105 . 16 LEU CB C 43.4 0.1 1 106 . 16 LEU CG C 23.6 0.1 1 107 . 16 LEU CD1 C 22.9 0.1 1 108 . 16 LEU CD2 C 22.9 0.1 1 109 . 16 LEU N N 119.0 0.1 1 110 . 17 PHE H H 8.65 0.02 1 111 . 17 PHE HA H 4.26 0.02 1 112 . 17 PHE HB2 H 2.52 0.02 1 113 . 17 PHE HB3 H 2.42 0.02 1 114 . 17 PHE HD1 H 6.24 0.02 1 115 . 17 PHE HD2 H 6.24 0.02 1 116 . 17 PHE HE1 H 6.64 0.02 1 117 . 17 PHE HE2 H 6.64 0.02 1 118 . 17 PHE HZ H 6.81 0.02 1 119 . 17 PHE CA C 53.7 0.1 1 120 . 17 PHE CB C 37.6 0.1 1 121 . 17 PHE N N 121.8 0.1 1 122 . 18 ILE H H 7.88 0.02 1 123 . 18 ILE HA H 4.66 0.02 1 124 . 18 ILE HB H 1.03 0.02 1 125 . 18 ILE HG12 H 1.30 0.02 1 126 . 18 ILE HG13 H 1.30 0.02 1 127 . 18 ILE HG2 H 0.48 0.02 1 128 . 18 ILE HD1 H 0.60 0.02 1 129 . 18 ILE CA C 55.9 0.1 1 130 . 18 ILE CB C 38.0 0.1 1 131 . 18 ILE CG1 C 24.0 0.1 1 132 . 18 ILE CG2 C 14.2 0.1 1 133 . 18 ILE CD1 C 11.4 0.1 1 134 . 18 ILE N N 125.3 0.1 1 135 . 19 GLY H H 8.87 0.02 1 136 . 19 GLY HA2 H 4.36 0.02 2 137 . 19 GLY HA3 H 3.55 0.02 2 138 . 19 GLY CA C 40.8 0.1 1 139 . 19 GLY N N 111.2 0.1 1 140 . 20 ASN H H 8.41 0.02 1 141 . 20 ASN HA H 4.47 0.02 1 142 . 20 ASN HB2 H 3.61 0.02 2 143 . 20 ASN HB3 H 2.47 0.02 2 144 . 20 ASN HD21 H 7.82 0.02 1 145 . 20 ASN HD22 H 6.72 0.02 1 146 . 20 ASN CA C 51.4 0.1 1 147 . 20 ASN CB C 34.6 0.1 1 148 . 20 ASN N N 113.7 0.1 1 149 . 20 ASN ND2 N 109.9 0.1 1 150 . 21 LEU H H 7.50 0.02 1 151 . 21 LEU HA H 3.98 0.02 1 152 . 21 LEU HB2 H 1.55 0.02 2 153 . 21 LEU HB3 H 0.99 0.02 2 154 . 21 LEU HG H 1.08 0.02 1 155 . 21 LEU HD1 H 0.48 0.02 1 156 . 21 LEU HD2 H 0.27 0.02 1 157 . 21 LEU CA C 51.1 0.1 1 158 . 21 LEU CB C 38.8 0.1 1 159 . 21 LEU CG C 24.0 0.1 1 160 . 21 LEU CD1 C 19.8 0.1 2 161 . 21 LEU CD2 C 21.9 0.1 2 162 . 21 LEU N N 114.1 0.1 1 163 . 22 ASN H H 6.37 0.02 1 164 . 22 ASN HA H 4.82 0.02 1 165 . 22 ASN HB2 H 2.91 0.02 2 166 . 22 ASN HB3 H 2.50 0.02 2 167 . 22 ASN HD21 H 7.48 0.02 1 168 . 22 ASN HD22 H 7.13 0.02 1 169 . 22 ASN CA C 46.9 0.1 1 170 . 22 ASN CB C 36.5 0.1 1 171 . 22 ASN N N 116.6 0.1 1 172 . 22 ASN ND2 N 109.7 0.1 1 173 . 23 PRO HA H 4.54 0.02 1 174 . 23 PRO HB2 H 1.99 0.02 2 175 . 23 PRO HB3 H 1.77 0.02 2 176 . 23 PRO HG2 H 1.75 0.02 1 177 . 23 PRO HG3 H 1.75 0.02 1 178 . 23 PRO HD2 H 3.98 0.02 2 179 . 23 PRO HD3 H 3.81 0.02 2 180 . 23 PRO CA C 60.8 0.1 1 181 . 23 PRO CB C 29.6 0.1 1 182 . 23 PRO CG C 23.6 0.1 1 183 . 23 PRO CD C 47.8 0.1 1 184 . 24 ASN H H 8.07 0.02 1 185 . 24 ASN HA H 4.67 0.02 1 186 . 24 ASN HB2 H 2.77 0.02 2 187 . 24 ASN HB3 H 2.59 0.02 2 188 . 24 ASN HD21 H 7.54 0.02 1 189 . 24 ASN HD22 H 6.97 0.02 1 190 . 24 ASN CA C 51.1 0.1 1 191 . 24 ASN CB C 36.0 0.1 1 192 . 24 ASN N N 118.2 0.1 1 193 . 24 ASN ND2 N 113.1 0.1 1 194 . 25 LYS H H 7.18 0.02 1 195 . 25 LYS HA H 4.37 0.02 1 196 . 25 LYS HB2 H 1.53 0.02 2 197 . 25 LYS HB3 H 1.76 0.02 2 198 . 25 LYS HG2 H 0.38 0.02 1 199 . 25 LYS HG3 H 0.38 0.02 1 200 . 25 LYS HD2 H 1.14 0.02 2 201 . 25 LYS HD3 H 0.97 0.02 2 202 . 25 LYS HE2 H 1.98 0.02 1 203 . 25 LYS HE3 H 1.98 0.02 1 204 . 25 LYS CA C 49.2 0.1 1 205 . 25 LYS CB C 29.8 0.1 1 206 . 25 LYS CG C 21.9 0.1 1 207 . 25 LYS CD C 24.1 0.1 1 208 . 25 LYS N N 118.9 0.1 1 209 . 26 SER H H 8.59 0.02 1 210 . 26 SER HA H 4.50 0.02 1 211 . 26 SER HB2 H 4.00 0.02 2 212 . 26 SER HB3 H 4.05 0.02 2 213 . 26 SER CA C 55.4 0.1 1 214 . 26 SER CB C 60.9 0.1 1 215 . 26 SER N N 115.0 0.1 1 216 . 27 VAL H H 8.83 0.02 1 217 . 27 VAL HA H 3.29 0.02 1 218 . 27 VAL HB H 2.17 0.02 1 219 . 27 VAL HG1 H 0.90 0.02 2 220 . 27 VAL HG2 H 0.77 0.02 2 221 . 27 VAL CA C 65.5 0.1 1 222 . 27 VAL CB C 28.8 0.1 1 223 . 27 VAL CG1 C 18.2 0.1 2 224 . 27 VAL CG2 C 20.0 0.1 2 225 . 27 VAL N N 119.3 0.1 1 226 . 28 ALA H H 8.37 0.02 1 227 . 28 ALA HA H 4.05 0.02 1 228 . 28 ALA HB H 1.44 0.02 1 229 . 28 ALA CA C 52.6 0.1 1 230 . 28 ALA CB C 15.4 0.1 1 231 . 28 ALA N N 119.9 0.1 1 232 . 29 GLU H H 7.83 0.02 1 233 . 29 GLU HA H 4.00 0.02 1 234 . 29 GLU HB2 H 1.93 0.02 1 235 . 29 GLU HB3 H 1.93 0.02 1 236 . 29 GLU HG2 H 2.30 0.02 1 237 . 29 GLU HG3 H 2.30 0.02 1 238 . 29 GLU CA C 56.3 0.1 1 239 . 29 GLU CB C 26.4 0.1 1 240 . 29 GLU CG C 32.9 0.1 1 241 . 29 GLU N N 116.2 0.1 1 242 . 30 LEU H H 8.51 0.02 1 243 . 30 LEU HA H 4.03 0.02 1 244 . 30 LEU HB2 H 2.08 0.02 2 245 . 30 LEU HB3 H 0.99 0.02 2 246 . 30 LEU HG H 1.72 0.02 1 247 . 30 LEU HD1 H 0.97 0.02 2 248 . 30 LEU HD2 H 0.73 0.02 2 249 . 30 LEU CA C 56.6 0.1 1 250 . 30 LEU CB C 39.8 0.1 1 251 . 30 LEU CG C 24.4 0.1 1 252 . 30 LEU CD1 C 19.9 0.1 1 253 . 30 LEU CD2 C 23.1 0.1 1 254 . 30 LEU N N 120.7 0.1 1 255 . 31 LYS H H 8.63 0.02 1 256 . 31 LYS HA H 3.64 0.02 1 257 . 31 LYS HB2 H 1.80 0.02 1 258 . 31 LYS HB3 H 1.80 0.02 1 259 . 31 LYS HG2 H 1.70 0.02 1 260 . 31 LYS HG3 H 1.70 0.02 1 261 . 31 LYS HE2 H 2.94 0.02 1 262 . 31 LYS HE3 H 2.94 0.02 1 263 . 31 LYS CA C 58.8 0.1 1 264 . 31 LYS CB C 29.6 0.1 1 265 . 31 LYS N N 117.7 0.1 1 266 . 32 VAL H H 7.76 0.02 1 267 . 32 VAL HA H 3.68 0.02 1 268 . 32 VAL HB H 2.05 0.02 1 269 . 32 VAL HG1 H 1.08 0.02 1 270 . 32 VAL HG2 H 0.92 0.02 1 271 . 32 VAL CA C 63.9 0.1 1 272 . 32 VAL CB C 29.2 0.1 1 273 . 32 VAL CG1 C 20.1 0.1 1 274 . 32 VAL CG2 C 18.2 0.1 1 275 . 32 VAL N N 119.0 0.1 1 276 . 33 ALA H H 8.03 0.02 1 277 . 33 ALA HA H 4.05 0.02 1 278 . 33 ALA HB H 1.23 0.02 1 279 . 33 ALA CA C 52.8 0.1 1 280 . 33 ALA CB C 16.8 0.1 1 281 . 33 ALA N N 121.4 0.1 1 282 . 34 ILE H H 8.54 0.02 1 283 . 34 ILE HA H 3.40 0.02 1 284 . 34 ILE HB H 1.80 0.02 1 285 . 34 ILE HG12 H 1.70 0.02 2 286 . 34 ILE HG13 H 0.70 0.02 2 287 . 34 ILE HG2 H 0.84 0.02 1 288 . 34 ILE HD1 H 0.56 0.02 1 289 . 34 ILE CA C 62.7 0.1 1 290 . 34 ILE CB C 34.3 0.1 1 291 . 34 ILE CG1 C 27.0 0.1 1 292 . 34 ILE CG2 C 16.0 0.1 1 293 . 34 ILE CD1 C 10.6 0.1 1 294 . 34 ILE N N 118.2 0.1 1 295 . 35 SER H H 7.96 0.02 1 296 . 35 SER HA H 4.01 0.02 1 297 . 35 SER HB2 H 3.95 0.02 1 298 . 35 SER HB3 H 3.95 0.02 1 299 . 35 SER CA C 59.8 0.1 1 300 . 35 SER CB C 60.0 0.1 1 301 . 35 SER N N 114.1 0.1 1 302 . 36 GLU H H 8.63 0.02 1 303 . 36 GLU HA H 4.02 0.02 1 304 . 36 GLU HB2 H 2.07 0.02 2 305 . 36 GLU HB3 H 1.91 0.02 2 306 . 36 GLU HG2 H 2.46 0.02 2 307 . 36 GLU HG3 H 2.13 0.02 2 308 . 36 GLU CA C 56.6 0.1 1 309 . 36 GLU CB C 26.8 0.1 1 310 . 36 GLU CG C 34.0 0.1 1 311 . 36 GLU N N 121.1 0.1 1 312 . 37 LEU H H 7.74 0.02 1 313 . 37 LEU HA H 3.94 0.02 1 314 . 37 LEU HB2 H 1.65 0.02 2 315 . 37 LEU HB3 H 1.42 0.02 2 316 . 37 LEU HG H 0.87 0.02 1 317 . 37 LEU HD1 H 0.68 0.02 2 318 . 37 LEU HD2 H 0.34 0.02 2 319 . 37 LEU CA C 55.3 0.1 1 320 . 37 LEU CB C 39.0 0.1 1 321 . 37 LEU CG C 23.0 0.1 1 322 . 37 LEU CD1 C 21.0 0.1 1 323 . 37 LEU CD2 C 23.0 0.1 1 324 . 37 LEU N N 121.0 0.1 1 325 . 38 PHE H H 7.62 0.02 1 326 . 38 PHE HA H 4.16 0.02 1 327 . 38 PHE HB2 H 3.42 0.02 2 328 . 38 PHE HB3 H 2.79 0.02 2 329 . 38 PHE HD1 H 7.26 0.02 1 330 . 38 PHE HD2 H 7.26 0.02 1 331 . 38 PHE HE1 H 7.08 0.02 1 332 . 38 PHE HE2 H 7.08 0.02 1 333 . 38 PHE CA C 60.8 0.1 1 334 . 38 PHE CB C 35.1 0.1 1 335 . 38 PHE N N 115.7 0.1 1 336 . 39 ALA H H 8.51 0.02 1 337 . 39 ALA HA H 4.24 0.02 1 338 . 39 ALA HB H 1.58 0.02 1 339 . 39 ALA CA C 53.4 0.1 1 340 . 39 ALA CB C 15.2 0.1 1 341 . 39 ALA N N 125.0 0.1 1 342 . 40 LYS H H 8.17 0.02 1 343 . 40 LYS HA H 4.17 0.02 1 344 . 40 LYS HB2 H 1.93 0.02 1 345 . 40 LYS HB3 H 1.93 0.02 1 346 . 40 LYS HG2 H 1.58 0.02 1 347 . 40 LYS HG3 H 1.58 0.02 1 348 . 40 LYS HE2 H 2.98 0.02 1 349 . 40 LYS HE3 H 2.98 0.02 1 350 . 40 LYS CA C 55.5 0.1 1 351 . 40 LYS CB C 29.7 0.1 1 352 . 40 LYS CG C 22.3 0.1 1 353 . 40 LYS N N 118.8 0.1 1 354 . 41 ASN H H 7.52 0.02 1 355 . 41 ASN HA H 4.70 0.02 1 356 . 41 ASN HB2 H 2.99 0.02 2 357 . 41 ASN HB3 H 2.36 0.02 2 358 . 41 ASN HD21 H 7.28 0.02 1 359 . 41 ASN HD22 H 7.28 0.02 1 360 . 41 ASN CA C 51.1 0.1 1 361 . 41 ASN CB C 37.8 0.1 1 362 . 41 ASN N N 117.0 0.1 1 363 . 41 ASN ND2 N 114.5 0.1 1 364 . 42 ASP H H 7.86 0.02 1 365 . 42 ASP HA H 4.27 0.02 1 366 . 42 ASP HB2 H 2.97 0.02 2 367 . 42 ASP HB3 H 2.67 0.02 2 368 . 42 ASP CA C 53.5 0.1 1 369 . 42 ASP CB C 36.3 0.1 1 370 . 42 ASP N N 113.1 0.1 1 371 . 43 LEU H H 7.90 0.02 1 372 . 43 LEU HA H 4.70 0.02 1 373 . 43 LEU HB2 H 1.84 0.02 2 374 . 43 LEU HB3 H 1.10 0.02 2 375 . 43 LEU HG H 1.61 0.02 1 376 . 43 LEU HD1 H 0.80 0.02 1 377 . 43 LEU HD2 H 0.80 0.02 1 378 . 43 LEU CA C 51.2 0.1 1 379 . 43 LEU CB C 42.6 0.1 1 380 . 43 LEU CG C 23.1 0.1 1 381 . 43 LEU CD1 C 21.6 0.1 2 382 . 43 LEU CD2 C 23.8 0.1 2 383 . 43 LEU N N 118.5 0.1 1 384 . 44 ALA H H 8.73 0.02 1 385 . 44 ALA HA H 4.34 0.02 1 386 . 44 ALA HB H 1.30 0.02 1 387 . 44 ALA CA C 48.7 0.1 1 388 . 44 ALA CB C 15.8 0.1 1 389 . 44 ALA N N 127.1 0.1 1 390 . 45 VAL H H 7.89 0.02 1 391 . 45 VAL HA H 4.00 0.02 1 392 . 45 VAL HB H 1.82 0.02 1 393 . 45 VAL HG1 H 0.72 0.02 2 394 . 45 VAL HG2 H 0.47 0.02 2 395 . 45 VAL CA C 57.8 0.1 1 396 . 45 VAL CB C 29.8 0.1 1 397 . 45 VAL CG1 C 17.4 0.1 2 398 . 45 VAL CG2 C 20.2 0.1 2 399 . 45 VAL N N 119.4 0.1 1 400 . 46 VAL H H 8.74 0.02 1 401 . 46 VAL HA H 3.98 0.02 1 402 . 46 VAL HB H 1.60 0.02 1 403 . 46 VAL HG1 H 0.80 0.02 2 404 . 46 VAL HG2 H 0.86 0.02 2 405 . 46 VAL CA C 61.0 0.1 1 406 . 46 VAL CB C 30.1 0.1 1 407 . 46 VAL CG1 C 18.8 0.1 1 408 . 46 VAL CG2 C 18.8 0.1 1 409 . 46 VAL N N 122.6 0.1 1 410 . 47 ASP H H 7.14 0.02 1 411 . 47 ASP HA H 4.76 0.02 1 412 . 47 ASP HB2 H 2.75 0.02 2 413 . 47 ASP HB3 H 2.30 0.02 2 414 . 47 ASP CA C 51.5 0.1 1 415 . 47 ASP CB C 42.1 0.1 1 416 . 47 ASP N N 114.9 0.1 1 417 . 48 VAL H H 7.69 0.02 1 418 . 48 VAL HA H 4.80 0.02 1 419 . 48 VAL HB H 1.73 0.02 1 420 . 48 VAL HG1 H 0.83 0.02 1 421 . 48 VAL HG2 H 0.78 0.02 1 422 . 48 VAL CA C 58.6 0.1 1 423 . 48 VAL CB C 32.6 0.1 1 424 . 48 VAL CG1 C 18.5 0.1 1 425 . 48 VAL CG2 C 18.0 0.1 1 426 . 48 VAL N N 120.3 0.1 1 427 . 49 ARG H H 8.97 0.02 1 428 . 49 ARG HA H 4.72 0.02 1 429 . 49 ARG HB2 H 1.71 0.02 2 430 . 49 ARG HB3 H 1.95 0.02 2 431 . 49 ARG HG2 H 1.54 0.02 1 432 . 49 ARG HG3 H 1.54 0.02 1 433 . 49 ARG HD2 H 2.96 0.02 2 434 . 49 ARG HD3 H 3.33 0.02 2 435 . 49 ARG HE H 9.70 0.02 1 436 . 49 ARG CA C 51.5 0.1 1 437 . 49 ARG CB C 31.0 0.1 1 438 . 49 ARG CD C 39.2 0.1 1 439 . 49 ARG N N 124.6 0.1 1 440 . 49 ARG NE N 83.6 0.1 1 441 . 50 THR H H 8.45 0.02 1 442 . 50 THR HA H 4.65 0.02 1 443 . 50 THR HB H 4.01 0.02 1 444 . 50 THR HG2 H 0.73 0.02 1 445 . 50 THR CA C 57.4 0.1 1 446 . 50 THR CB C 68.1 0.1 1 447 . 50 THR CG2 C 18.3 0.1 1 448 . 50 THR N N 108.8 0.1 1 449 . 51 GLY H H 7.71 0.02 1 450 . 51 GLY HA2 H 2.70 0.02 2 451 . 51 GLY HA3 H 3.90 0.02 2 452 . 51 GLY CA C 41.7 0.1 1 453 . 51 GLY N N 106.5 0.1 1 454 . 52 THR H H 9.00 0.02 1 455 . 52 THR HA H 3.30 0.02 1 456 . 52 THR HB H 3.83 0.02 1 457 . 52 THR HG2 H -0.09 0.02 1 458 . 52 THR CA C 65.4 0.1 1 459 . 52 THR CB C 65.2 0.1 1 460 . 52 THR CG2 C 15.9 0.1 1 461 . 52 THR N N 121.6 0.1 1 462 . 53 ASN H H 8.05 0.02 1 463 . 53 ASN HA H 4.19 0.02 1 464 . 53 ASN HB2 H 3.09 0.02 2 465 . 53 ASN HB3 H 2.72 0.02 2 466 . 53 ASN HD21 H 7.50 0.02 1 467 . 53 ASN HD22 H 6.81 0.02 1 468 . 53 ASN CA C 49.8 0.1 1 469 . 53 ASN CB C 34.7 0.1 1 470 . 53 ASN N N 115.4 0.1 1 471 . 53 ASN ND2 N 106.7 0.1 1 472 . 54 ARG H H 7.37 0.02 1 473 . 54 ARG HA H 3.07 0.02 1 474 . 54 ARG HB2 H 2.07 0.02 1 475 . 54 ARG HB3 H 2.07 0.02 1 476 . 54 ARG HG2 H 1.77 0.02 2 477 . 54 ARG HG3 H 1.63 0.02 2 478 . 54 ARG HD2 H 3.30 0.02 1 479 . 54 ARG HD3 H 3.30 0.02 1 480 . 54 ARG HE H 7.15 0.02 1 481 . 54 ARG CA C 56.3 0.1 1 482 . 54 ARG CB C 28.1 0.1 1 483 . 54 ARG CG C 24.2 0.1 1 484 . 54 ARG CD C 40.1 0.1 1 485 . 54 ARG N N 109.0 0.1 1 486 . 54 ARG NE N 81.5 0.1 1 487 . 55 LYS H H 7.84 0.02 1 488 . 55 LYS HA H 4.16 0.02 1 489 . 55 LYS HB2 H 1.70 0.02 1 490 . 55 LYS HB3 H 1.70 0.02 1 491 . 55 LYS HG2 H 1.08 0.02 2 492 . 55 LYS HG3 H 0.70 0.02 2 493 . 55 LYS CA C 54.0 0.1 1 494 . 55 LYS CB C 30.1 0.1 1 495 . 55 LYS CG C 23.1 0.1 1 496 . 55 LYS N N 110.1 0.1 1 497 . 56 PHE H H 7.28 0.02 1 498 . 56 PHE HA H 4.74 0.02 1 499 . 56 PHE HB2 H 2.97 0.02 1 500 . 56 PHE HB3 H 2.97 0.02 1 501 . 56 PHE HD1 H 6.85 0.02 1 502 . 56 PHE HD2 H 6.85 0.02 1 503 . 56 PHE HE1 H 7.37 0.02 1 504 . 56 PHE HE2 H 7.37 0.02 1 505 . 56 PHE HZ H 7.12 0.02 1 506 . 56 PHE CA C 52.0 0.1 1 507 . 56 PHE CB C 39.0 0.1 1 508 . 56 PHE N N 114.6 0.1 1 509 . 57 GLY H H 8.82 0.02 1 510 . 57 GLY HA2 H 3.74 0.02 1 511 . 57 GLY HA3 H 3.74 0.02 1 512 . 57 GLY CA C 43.3 0.1 1 513 . 57 GLY N N 108.4 0.1 1 514 . 58 TYR H H 8.91 0.02 1 515 . 58 TYR HA H 5.35 0.02 1 516 . 58 TYR HB2 H 2.64 0.02 2 517 . 58 TYR HB3 H 2.18 0.02 2 518 . 58 TYR HD1 H 6.19 0.02 1 519 . 58 TYR HD2 H 6.19 0.02 1 520 . 58 TYR HE1 H 6.50 0.02 1 521 . 58 TYR HE2 H 6.50 0.02 1 522 . 58 TYR CA C 54.2 0.1 1 523 . 58 TYR CB C 41.7 0.1 1 524 . 58 TYR N N 115.7 0.1 1 525 . 59 VAL H H 8.68 0.02 1 526 . 59 VAL HA H 4.73 0.02 1 527 . 59 VAL HB H 1.58 0.02 1 528 . 59 VAL HG1 H 0.44 0.02 2 529 . 59 VAL HG2 H 0.68 0.02 2 530 . 59 VAL CA C 56.0 0.1 1 531 . 59 VAL CB C 32.5 0.1 1 532 . 59 VAL CG1 C 18.8 0.1 2 533 . 59 VAL CG2 C 18.2 0.1 2 534 . 59 VAL N N 116.3 0.1 1 535 . 60 ASP H H 7.84 0.02 1 536 . 60 ASP HA H 5.34 0.02 1 537 . 60 ASP HB2 H 2.80 0.02 2 538 . 60 ASP HB3 H 2.27 0.02 2 539 . 60 ASP CA C 49.2 0.1 1 540 . 60 ASP CB C 40.3 0.1 1 541 . 60 ASP N N 123.1 0.1 1 542 . 61 PHE H H 9.04 0.02 1 543 . 61 PHE HA H 4.93 0.02 1 544 . 61 PHE HB2 H 3.50 0.02 2 545 . 61 PHE HB3 H 2.71 0.02 2 546 . 61 PHE HD1 H 7.18 0.02 1 547 . 61 PHE HD2 H 7.18 0.02 1 548 . 61 PHE HE1 H 6.53 0.02 1 549 . 61 PHE HE2 H 6.53 0.02 1 550 . 61 PHE HZ H 5.73 0.02 1 551 . 61 PHE CA C 54.2 0.1 1 552 . 61 PHE CB C 39.6 0.1 1 553 . 61 PHE N N 119.0 0.1 1 554 . 62 GLU H H 10.07 0.02 1 555 . 62 GLU HA H 4.25 0.02 1 556 . 62 GLU HB2 H 2.07 0.02 1 557 . 62 GLU HB3 H 2.07 0.02 1 558 . 62 GLU HG2 H 2.33 0.02 1 559 . 62 GLU HG3 H 2.33 0.02 1 560 . 62 GLU CA C 55.5 0.1 1 561 . 62 GLU CB C 28.1 0.1 1 562 . 62 GLU CG C 33.7 0.1 1 563 . 62 GLU N N 119.3 0.1 1 564 . 63 SER H H 7.30 0.02 1 565 . 63 SER HA H 4.11 0.02 1 566 . 63 SER HB2 H 3.97 0.02 2 567 . 63 SER HB3 H 3.65 0.02 2 568 . 63 SER CA C 53.6 0.1 1 569 . 63 SER CB C 64.5 0.1 1 570 . 63 SER N N 108.2 0.1 1 571 . 64 ALA H H 7.74 0.02 1 572 . 64 ALA HA H 3.43 0.02 1 573 . 64 ALA HB H 1.19 0.02 1 574 . 64 ALA CA C 51.6 0.1 1 575 . 64 ALA CB C 15.1 0.1 1 576 . 64 ALA N N 122.8 0.1 1 577 . 65 GLU H H 8.32 0.02 1 578 . 65 GLU HA H 3.81 0.02 1 579 . 65 GLU HB2 H 1.90 0.02 2 580 . 65 GLU HB3 H 1.70 0.02 2 581 . 65 GLU HG2 H 2.28 0.02 2 582 . 65 GLU HG3 H 2.13 0.02 2 583 . 65 GLU CA C 57.7 0.1 1 584 . 65 GLU CB C 26.1 0.1 1 585 . 65 GLU CG C 34.2 0.1 1 586 . 65 GLU N N 117.5 0.1 1 587 . 66 ASP H H 7.54 0.02 1 588 . 66 ASP HA H 4.08 0.02 1 589 . 66 ASP HB2 H 2.62 0.02 2 590 . 66 ASP HB3 H 2.35 0.02 2 591 . 66 ASP CA C 54.9 0.1 1 592 . 66 ASP CB C 37.6 0.1 1 593 . 66 ASP N N 121.1 0.1 1 594 . 67 LEU H H 6.85 0.02 1 595 . 67 LEU HA H 2.89 0.02 1 596 . 67 LEU HB2 H 1.84 0.02 2 597 . 67 LEU HB3 H 1.39 0.02 2 598 . 67 LEU HG H 1.22 0.02 1 599 . 67 LEU HD1 H 0.93 0.02 2 600 . 67 LEU HD2 H 0.86 0.02 2 601 . 67 LEU CA C 56.1 0.1 1 602 . 67 LEU CB C 39.5 0.1 1 603 . 67 LEU CG C 23.0 0.1 1 604 . 67 LEU CD1 C 24.0 0.1 1 605 . 67 LEU CD2 C 23.3 0.1 1 606 . 67 LEU N N 119.8 0.1 1 607 . 68 GLU H H 7.88 0.02 1 608 . 68 GLU HA H 3.77 0.02 1 609 . 68 GLU HB2 H 1.90 0.02 1 610 . 68 GLU HB3 H 1.90 0.02 1 611 . 68 GLU HG2 H 2.28 0.02 2 612 . 68 GLU HG3 H 2.19 0.02 2 613 . 68 GLU CA C 56.7 0.1 1 614 . 68 GLU CB C 26.1 0.1 1 615 . 68 GLU CG C 33.0 0.1 1 616 . 68 GLU N N 116.5 0.1 1 617 . 69 LYS H H 7.54 0.02 1 618 . 69 LYS HA H 3.88 0.02 1 619 . 69 LYS HB2 H 1.83 0.02 1 620 . 69 LYS HB3 H 1.83 0.02 1 621 . 69 LYS HG2 H 1.55 0.02 1 622 . 69 LYS HG3 H 1.55 0.02 1 623 . 69 LYS HE2 H 2.80 0.02 1 624 . 69 LYS HE3 H 2.80 0.02 1 625 . 69 LYS CA C 56.5 0.1 1 626 . 69 LYS CB C 29.6 0.1 1 627 . 69 LYS CG C 23.6 0.1 1 628 . 69 LYS N N 118.6 0.1 1 629 . 70 ALA H H 7.98 0.02 1 630 . 70 ALA HA H 3.74 0.02 1 631 . 70 ALA HB H 0.96 0.02 1 632 . 70 ALA CA C 52.4 0.1 1 633 . 70 ALA CB C 16.1 0.1 1 634 . 70 ALA N N 122.3 0.1 1 635 . 71 LEU H H 7.37 0.02 1 636 . 71 LEU HA H 3.90 0.02 1 637 . 71 LEU HB2 H 1.75 0.02 2 638 . 71 LEU HB3 H 1.54 0.02 2 639 . 71 LEU HG H 1.75 0.02 1 640 . 71 LEU HD1 H 0.90 0.02 2 641 . 71 LEU HD2 H 0.81 0.02 2 642 . 71 LEU CA C 54.1 0.1 1 643 . 71 LEU CB C 39.5 0.1 1 644 . 71 LEU CG C 24.3 0.1 1 645 . 71 LEU CD1 C 23.6 0.1 2 646 . 71 LEU CD2 C 20.0 0.1 2 647 . 71 LEU N N 113.5 0.1 1 648 . 72 GLU H H 7.28 0.02 1 649 . 72 GLU HA H 4.30 0.02 1 650 . 72 GLU HB2 H 2.15 0.02 2 651 . 72 GLU HB3 H 1.99 0.02 2 652 . 72 GLU HG2 H 2.45 0.02 2 653 . 72 GLU HG3 H 2.20 0.02 2 654 . 72 GLU CA C 53.3 0.1 1 655 . 72 GLU CB C 27.6 0.1 1 656 . 72 GLU CG C 33.0 0.1 1 657 . 72 GLU N N 115.9 0.1 1 658 . 73 LEU H H 7.37 0.02 1 659 . 73 LEU HA H 4.27 0.02 1 660 . 73 LEU HB2 H 2.00 0.02 2 661 . 73 LEU HB3 H 1.28 0.02 2 662 . 73 LEU HG H 1.13 0.02 1 663 . 73 LEU HD1 H 0.90 0.02 2 664 . 73 LEU HD2 H 0.85 0.02 2 665 . 73 LEU CA C 53.2 0.1 1 666 . 73 LEU CB C 39.3 0.1 1 667 . 73 LEU CG C 23.4 0.1 1 668 . 73 LEU CD1 C 23.4 0.1 1 669 . 73 LEU CD2 C 23.4 0.1 1 670 . 73 LEU N N 120.0 0.1 1 671 . 74 THR H H 8.05 0.02 1 672 . 74 THR HA H 4.66 0.02 1 673 . 74 THR HB H 4.15 0.02 1 674 . 74 THR HG2 H 1.17 0.02 1 675 . 74 THR CA C 57.6 0.1 1 676 . 74 THR CB C 68.8 0.1 1 677 . 74 THR CG2 C 18.2 0.1 1 678 . 74 THR N N 111.9 0.1 1 679 . 75 GLY H H 8.60 0.02 1 680 . 75 GLY HA2 H 3.86 0.02 2 681 . 75 GLY HA3 H 3.73 0.02 2 682 . 75 GLY CA C 43.7 0.1 1 683 . 75 GLY N N 109.5 0.1 1 684 . 76 LEU H H 8.05 0.02 1 685 . 76 LEU HA H 4.12 0.02 1 686 . 76 LEU HB2 H 1.75 0.02 2 687 . 76 LEU HB3 H 1.00 0.02 2 688 . 76 LEU HG H 1.37 0.02 1 689 . 76 LEU HD1 H 0.71 0.02 2 690 . 76 LEU HD2 H 0.60 0.02 2 691 . 76 LEU CA C 52.4 0.1 1 692 . 76 LEU CB C 38.9 0.1 1 693 . 76 LEU CG C 23.5 0.1 1 694 . 76 LEU CD1 C 22.9 0.1 2 695 . 76 LEU CD2 C 19.1 0.1 2 696 . 76 LEU N N 119.5 0.1 1 697 . 77 LYS H H 7.89 0.02 1 698 . 77 LYS HA H 5.21 0.02 1 699 . 77 LYS HB2 H 1.48 0.02 2 700 . 77 LYS HB3 H 1.23 0.02 2 701 . 77 LYS HG2 H 1.32 0.02 2 702 . 77 LYS HG3 H 0.95 0.02 2 703 . 77 LYS CA C 52.1 0.1 1 704 . 77 LYS CB C 33.9 0.1 1 705 . 77 LYS CG C 22.6 0.1 1 706 . 77 LYS N N 121.0 0.1 1 707 . 78 VAL H H 8.38 0.02 1 708 . 78 VAL HA H 3.82 0.02 1 709 . 78 VAL HB H 1.55 0.02 1 710 . 78 VAL HG1 H 0.61 0.02 2 711 . 78 VAL HG2 H 0.58 0.02 2 712 . 78 VAL CA C 58.8 0.1 1 713 . 78 VAL CB C 31.3 0.1 1 714 . 78 VAL CG1 C 19.6 0.1 2 715 . 78 VAL CG2 C 20.0 0.1 2 716 . 78 VAL N N 118.9 0.1 1 717 . 79 PHE H H 9.22 0.02 1 718 . 79 PHE HA H 4.27 0.02 1 719 . 79 PHE HB2 H 3.41 0.02 2 720 . 79 PHE HB3 H 2.80 0.02 2 721 . 79 PHE HD1 H 7.15 0.02 1 722 . 79 PHE HD2 H 7.15 0.02 1 723 . 79 PHE CA C 56.4 0.1 1 724 . 79 PHE CB C 35.4 0.1 1 725 . 79 PHE N N 126.1 0.1 1 726 . 80 GLY H H 8.50 0.02 1 727 . 80 GLY HA2 H 4.25 0.02 2 728 . 80 GLY HA3 H 3.46 0.02 2 729 . 80 GLY CA C 43.2 0.1 1 730 . 80 GLY N N 102.7 0.1 1 731 . 81 ASN H H 7.77 0.02 1 732 . 81 ASN HA H 4.81 0.02 1 733 . 81 ASN HB2 H 2.85 0.02 1 734 . 81 ASN HB3 H 2.85 0.02 1 735 . 81 ASN HD21 H 6.91 0.02 1 736 . 81 ASN HD22 H 6.56 0.02 1 737 . 81 ASN CA C 49.1 0.1 1 738 . 81 ASN CB C 36.4 0.1 1 739 . 81 ASN N N 120.8 0.1 1 740 . 81 ASN ND2 N 108.5 0.1 1 741 . 82 GLU H H 8.84 0.02 1 742 . 82 GLU HA H 4.50 0.02 1 743 . 82 GLU HB2 H 1.92 0.02 2 744 . 82 GLU HB3 H 1.80 0.02 2 745 . 82 GLU HG2 H 2.15 0.02 1 746 . 82 GLU HG3 H 2.15 0.02 1 747 . 82 GLU CA C 53.6 0.1 1 748 . 82 GLU CB C 26.6 0.1 1 749 . 82 GLU CG C 33.6 0.1 1 750 . 82 GLU N N 122.7 0.1 1 751 . 83 ILE H H 7.84 0.02 1 752 . 83 ILE HA H 4.63 0.02 1 753 . 83 ILE HB H 1.90 0.02 1 754 . 83 ILE HG2 H 0.65 0.02 1 755 . 83 ILE HD1 H 0.55 0.02 1 756 . 83 ILE CA C 57.9 0.1 1 757 . 83 ILE CB C 36.5 0.1 1 758 . 83 ILE CG2 C 17.0 0.1 1 759 . 83 ILE CD1 C 11.5 0.1 1 760 . 83 ILE N N 122.1 0.1 1 761 . 84 LYS H H 7.65 0.02 1 762 . 84 LYS HA H 4.65 0.02 1 763 . 84 LYS HB2 H 1.71 0.02 2 764 . 84 LYS HB3 H 1.58 0.02 2 765 . 84 LYS HG2 H 1.31 0.02 1 766 . 84 LYS HG3 H 1.31 0.02 1 767 . 84 LYS HE2 H 2.92 0.02 1 768 . 84 LYS HE3 H 2.92 0.02 1 769 . 84 LYS CA C 51.5 0.1 1 770 . 84 LYS CB C 32.6 0.1 1 771 . 84 LYS CG C 22.0 0.1 1 772 . 84 LYS N N 120.3 0.1 1 773 . 85 LEU H H 8.57 0.02 1 774 . 85 LEU HA H 5.50 0.02 1 775 . 85 LEU HB2 H 1.80 0.02 2 776 . 85 LEU HB3 H 1.35 0.02 2 777 . 85 LEU HG H 1.56 0.02 1 778 . 85 LEU HD1 H 0.93 0.02 1 779 . 85 LEU HD2 H 0.93 0.02 1 780 . 85 LEU CA C 50.8 0.1 1 781 . 85 LEU CB C 41.0 0.1 1 782 . 85 LEU CG C 24.4 0.1 1 783 . 85 LEU CD1 C 23.1 0.1 1 784 . 85 LEU CD2 C 23.1 0.1 1 785 . 85 LEU N N 125.0 0.1 1 786 . 86 GLU H H 9.14 0.02 1 787 . 86 GLU HA H 4.70 0.02 1 788 . 86 GLU HB2 H 1.75 0.02 2 789 . 86 GLU HB3 H 1.56 0.02 2 790 . 86 GLU HG2 H 2.33 0.02 2 791 . 86 GLU HG3 H 2.09 0.02 2 792 . 86 GLU CA C 51.9 0.1 1 793 . 86 GLU CB C 31.9 0.1 1 794 . 86 GLU CG C 33.3 0.1 1 795 . 86 GLU N N 119.3 0.1 1 796 . 87 LYS H H 8.84 0.02 1 797 . 87 LYS HA H 4.56 0.02 1 798 . 87 LYS HB2 H 1.72 0.02 1 799 . 87 LYS HB3 H 1.72 0.02 1 800 . 87 LYS HG2 H 1.45 0.02 1 801 . 87 LYS HG3 H 1.45 0.02 1 802 . 87 LYS HE2 H 2.92 0.02 1 803 . 87 LYS HE3 H 2.92 0.02 1 804 . 87 LYS CA C 53.4 0.1 1 805 . 87 LYS CB C 28.3 0.1 1 806 . 87 LYS CG C 24.0 0.1 1 807 . 87 LYS N N 121.8 0.1 1 808 . 88 PRO HA H 5.44 0.02 1 809 . 88 PRO HB2 H 2.50 0.02 2 810 . 88 PRO HB3 H 2.30 0.02 2 811 . 88 PRO HG2 H 2.26 0.02 1 812 . 88 PRO HG3 H 2.26 0.02 1 813 . 88 PRO HD2 H 3.89 0.02 2 814 . 88 PRO HD3 H 4.27 0.02 2 815 . 88 PRO CA C 59.7 0.1 1 816 . 88 PRO CB C 30.5 0.1 1 817 . 88 PRO CG C 25.6 0.1 1 818 . 88 PRO CD C 49.1 0.1 1 819 . 89 LYS H H 9.12 0.02 1 820 . 89 LYS HA H 4.09 0.02 1 821 . 89 LYS HB2 H 1.55 0.02 1 822 . 89 LYS HB3 H 1.55 0.02 1 823 . 89 LYS HG2 H 1.08 0.02 2 824 . 89 LYS HG3 H 1.20 0.02 2 825 . 89 LYS HE2 H 2.52 0.02 1 826 . 89 LYS HE3 H 2.52 0.02 1 827 . 89 LYS CA C 55.4 0.1 1 828 . 89 LYS CB C 32.1 0.1 1 829 . 89 LYS CG C 23.8 0.1 1 830 . 89 LYS CE C 39.5 0.1 1 831 . 89 LYS N N 122.1 0.1 1 832 . 90 GLY H H 8.65 0.02 1 833 . 90 GLY HA2 H 3.65 0.02 2 834 . 90 GLY HA3 H 4.02 0.02 2 835 . 90 GLY CA C 44.0 0.1 1 836 . 90 GLY N N 108.2 0.1 1 837 . 91 ARG H H 7.50 0.02 1 838 . 91 ARG HA H 4.11 0.02 1 839 . 91 ARG HB2 H 1.95 0.02 1 840 . 91 ARG HB3 H 1.95 0.02 1 841 . 91 ARG HG2 H 1.50 0.02 1 842 . 91 ARG HG3 H 1.50 0.02 1 843 . 91 ARG HD2 H 3.05 0.02 1 844 . 91 ARG HD3 H 3.05 0.02 1 845 . 91 ARG HE H 7.79 0.02 1 846 . 91 ARG CA C 55.0 0.1 1 847 . 91 ARG CB C 29.6 0.1 1 848 . 91 ARG CD C 41.5 0.1 1 849 . 91 ARG N N 118.3 0.1 1 850 . 91 ARG NE N 84.3 0.1 1 851 . 92 ASP H H 8.44 0.02 1 852 . 92 ASP HA H 4.45 0.02 1 853 . 92 ASP HB2 H 2.61 0.02 2 854 . 92 ASP HB3 H 2.20 0.02 2 855 . 92 ASP CA C 51.4 0.1 1 856 . 92 ASP CB C 39.6 0.1 1 857 . 92 ASP N N 120.8 0.1 1 858 . 93 SER H H 8.42 0.02 1 859 . 93 SER HA H 4.08 0.02 1 860 . 93 SER HB2 H 3.95 0.02 2 861 . 93 SER HB3 H 4.31 0.02 2 862 . 93 SER CA C 53.0 0.1 1 863 . 93 SER CB C 61.3 0.1 1 864 . 93 SER N N 113.9 0.1 1 865 . 94 LYS H H 8.55 0.02 1 866 . 94 LYS HA H 3.43 0.02 1 867 . 94 LYS HB2 H 1.40 0.02 2 868 . 94 LYS HB3 H 1.04 0.02 2 869 . 94 LYS HG2 H -0.16 0.02 1 870 . 94 LYS HG3 H -0.16 0.02 1 871 . 94 LYS HD2 H 1.70 0.02 1 872 . 94 LYS HD3 H 1.70 0.02 1 873 . 94 LYS HE2 H 2.05 0.02 1 874 . 94 LYS HE3 H 2.05 0.02 1 875 . 94 LYS CA C 58.6 0.1 1 876 . 94 LYS CB C 27.3 0.1 1 877 . 94 LYS CG C 25.6 0.1 1 878 . 94 LYS N N 118.9 0.1 1 879 . 95 LYS H H 8.08 0.02 1 880 . 95 LYS HA H 3.94 0.02 1 881 . 95 LYS HB2 H 1.83 0.02 2 882 . 95 LYS HB3 H 1.70 0.02 2 883 . 95 LYS HG2 H 1.43 0.02 1 884 . 95 LYS HG3 H 1.43 0.02 1 885 . 95 LYS HD2 H 1.70 0.02 1 886 . 95 LYS HD3 H 1.70 0.02 1 887 . 95 LYS HE2 H 3.02 0.02 1 888 . 95 LYS HE3 H 3.02 0.02 1 889 . 95 LYS CA C 55.9 0.1 1 890 . 95 LYS CB C 29.7 0.1 1 891 . 95 LYS CG C 22.1 0.1 1 892 . 95 LYS N N 117.5 0.1 1 893 . 96 VAL H H 7.21 0.02 1 894 . 96 VAL HA H 3.66 0.02 1 895 . 96 VAL HB H 1.96 0.02 1 896 . 96 VAL HG1 H 0.87 0.02 1 897 . 96 VAL HG2 H 0.87 0.02 1 898 . 96 VAL CA C 63.0 0.1 1 899 . 96 VAL CB C 29.1 0.1 1 900 . 96 VAL CG1 C 18.5 0.1 1 901 . 96 VAL CG2 C 18.5 0.1 1 902 . 96 VAL N N 121.1 0.1 1 903 . 97 ARG H H 8.54 0.02 1 904 . 97 ARG HA H 3.70 0.02 1 905 . 97 ARG HB2 H 1.70 0.02 2 906 . 97 ARG HB3 H 1.42 0.02 2 907 . 97 ARG HG2 H 1.13 0.02 1 908 . 97 ARG HG3 H 1.13 0.02 1 909 . 97 ARG HD2 H 3.36 0.02 2 910 . 97 ARG HD3 H 2.67 0.02 2 911 . 97 ARG HE H 7.20 0.02 1 912 . 97 ARG CA C 58.4 0.1 1 913 . 97 ARG CB C 26.9 0.1 1 914 . 97 ARG N N 116.7 0.1 1 915 . 97 ARG NE N 81.1 0.1 1 916 . 98 ALA H H 8.46 0.02 1 917 . 98 ALA HA H 3.86 0.02 1 918 . 98 ALA HB H 1.43 0.02 1 919 . 98 ALA CA C 52.6 0.1 1 920 . 98 ALA CB C 15.5 0.1 1 921 . 98 ALA N N 123.9 0.1 1 922 . 99 ALA H H 6.87 0.02 1 923 . 99 ALA HA H 4.22 0.02 1 924 . 99 ALA HB H 1.48 0.02 1 925 . 99 ALA CA C 51.0 0.1 1 926 . 99 ALA CB C 15.5 0.1 1 927 . 99 ALA N N 115.8 0.1 1 928 . 100 ARG H H 7.65 0.02 1 929 . 100 ARG HA H 4.71 0.02 1 930 . 100 ARG HB2 H 1.90 0.02 2 931 . 100 ARG HB3 H 1.76 0.02 2 932 . 100 ARG HG2 H 1.45 0.02 1 933 . 100 ARG HG3 H 1.45 0.02 1 934 . 100 ARG HD2 H 2.92 0.02 1 935 . 100 ARG HD3 H 2.92 0.02 1 936 . 100 ARG HE H 7.10 0.02 1 937 . 100 ARG CA C 51.5 0.1 1 938 . 100 ARG CB C 29.7 0.1 1 939 . 100 ARG N N 112.5 0.1 1 940 . 100 ARG NE N 83.6 0.1 1 941 . 101 THR H H 7.47 0.02 1 942 . 101 THR HA H 5.57 0.02 1 943 . 101 THR HB H 3.96 0.02 1 944 . 101 THR HG2 H 1.20 0.02 1 945 . 101 THR CA C 59.4 0.1 1 946 . 101 THR CB C 68.5 0.1 1 947 . 101 THR CG2 C 19.0 0.1 1 948 . 101 THR N N 117.2 0.1 1 949 . 102 LEU H H 9.25 0.02 1 950 . 102 LEU HA H 5.26 0.02 1 951 . 102 LEU HB2 H 1.52 0.02 2 952 . 102 LEU HB3 H 1.41 0.02 2 953 . 102 LEU HG H 1.83 0.02 1 954 . 102 LEU HD1 H 0.79 0.02 2 955 . 102 LEU HD2 H 0.84 0.02 2 956 . 102 LEU CA C 49.8 0.1 1 957 . 102 LEU CB C 41.7 0.1 1 958 . 102 LEU CG C 24.2 0.1 1 959 . 102 LEU CD1 C 24.2 0.1 1 960 . 102 LEU CD2 C 20.4 0.1 1 961 . 102 LEU N N 123.8 0.1 1 962 . 103 LEU H H 9.05 0.02 1 963 . 103 LEU HA H 4.40 0.02 1 964 . 103 LEU HB2 H 1.48 0.02 2 965 . 103 LEU HB3 H 1.00 0.02 2 966 . 103 LEU HG H 1.03 0.02 1 967 . 103 LEU HD1 H 0.57 0.02 2 968 . 103 LEU HD2 H 0.01 0.02 2 969 . 103 LEU CA C 50.7 0.1 1 970 . 103 LEU CB C 41.4 0.1 1 971 . 103 LEU CG C 24.5 0.1 1 972 . 103 LEU CD1 C 23.9 0.1 1 973 . 103 LEU CD2 C 19.2 0.1 1 974 . 103 LEU N N 123.9 0.1 1 975 . 104 ALA H H 9.22 0.02 1 976 . 104 ALA HA H 5.30 0.02 1 977 . 104 ALA HB H 0.96 0.02 1 978 . 104 ALA CA C 47.0 0.1 1 979 . 104 ALA CB C 17.8 0.1 1 980 . 104 ALA N N 129.0 0.1 1 981 . 105 LYS H H 9.18 0.02 1 982 . 105 LYS HA H 5.02 0.02 1 983 . 105 LYS HB2 H 2.03 0.02 2 984 . 105 LYS HB3 H 1.80 0.02 2 985 . 105 LYS HG2 H 1.21 0.02 1 986 . 105 LYS HG3 H 1.21 0.02 1 987 . 105 LYS HD2 H 1.50 0.02 1 988 . 105 LYS HD3 H 1.50 0.02 1 989 . 105 LYS HE2 H 2.80 0.02 2 990 . 105 LYS HE3 H 2.54 0.02 2 991 . 105 LYS CA C 51.3 0.1 1 992 . 105 LYS CB C 32.8 0.1 1 993 . 105 LYS CG C 22.8 0.1 1 994 . 105 LYS CD C 26.7 0.1 1 995 . 105 LYS CE C 38.9 0.1 1 996 . 105 LYS N N 118.2 0.1 1 997 . 106 ASN H H 8.70 0.02 1 998 . 106 ASN HA H 4.37 0.02 1 999 . 106 ASN HB2 H 3.66 0.02 2 1000 . 106 ASN HB3 H 2.55 0.02 2 1001 . 106 ASN HD21 H 8.17 0.02 1 1002 . 106 ASN HD22 H 6.88 0.02 1 1003 . 106 ASN CA C 51.7 0.1 1 1004 . 106 ASN CB C 35.8 0.1 1 1005 . 106 ASN N N 114.5 0.1 1 1006 . 106 ASN ND2 N 112.6 0.1 1 1007 . 107 LEU H H 7.49 0.02 1 1008 . 107 LEU HA H 4.17 0.02 1 1009 . 107 LEU HB2 H 1.23 0.02 1 1010 . 107 LEU HB3 H 1.23 0.02 1 1011 . 107 LEU HD1 H 0.76 0.02 2 1012 . 107 LEU HD2 H 0.49 0.02 2 1013 . 107 LEU CA C 50.8 0.1 1 1014 . 107 LEU CB C 39.4 0.1 1 1015 . 107 LEU CD1 C 20.8 0.1 2 1016 . 107 LEU CD2 C 24.2 0.1 2 1017 . 107 LEU N N 114.6 0.1 1 1018 . 108 SER H H 8.86 0.02 1 1019 . 108 SER HA H 4.08 0.02 1 1020 . 108 SER HB2 H 4.04 0.02 2 1021 . 108 SER HB3 H 3.75 0.02 2 1022 . 108 SER CA C 55.0 0.1 1 1023 . 108 SER CB C 61.0 0.1 1 1024 . 108 SER N N 115.6 0.1 1 1025 . 109 PHE H H 8.56 0.02 1 1026 . 109 PHE HA H 4.45 0.02 1 1027 . 109 PHE HB2 H 3.33 0.02 2 1028 . 109 PHE HB3 H 2.95 0.02 2 1029 . 109 PHE HD1 H 7.23 0.02 1 1030 . 109 PHE HD2 H 7.23 0.02 1 1031 . 109 PHE CA C 55.6 0.1 1 1032 . 109 PHE CB C 35.2 0.1 1 1033 . 109 PHE N N 123.4 0.1 1 1034 . 110 ASN H H 8.07 0.02 1 1035 . 110 ASN HA H 4.80 0.02 1 1036 . 110 ASN HB2 H 2.80 0.02 2 1037 . 110 ASN HB3 H 2.60 0.02 2 1038 . 110 ASN HD21 H 7.78 0.02 1 1039 . 110 ASN HD22 H 6.92 0.02 1 1040 . 110 ASN CA C 49.9 0.1 1 1041 . 110 ASN CB C 35.9 0.1 1 1042 . 110 ASN N N 114.6 0.1 1 1043 . 110 ASN ND2 N 113.6 0.1 1 1044 . 111 ILE H H 6.93 0.02 1 1045 . 111 ILE HA H 4.26 0.02 1 1046 . 111 ILE HB H 1.90 0.02 1 1047 . 111 ILE HG12 H 1.50 0.02 2 1048 . 111 ILE HG13 H 1.32 0.02 2 1049 . 111 ILE HG2 H 0.82 0.02 1 1050 . 111 ILE HD1 H 0.82 0.02 1 1051 . 111 ILE CA C 57.8 0.1 1 1052 . 111 ILE CB C 35.8 0.1 1 1053 . 111 ILE CG1 C 25.4 0.1 1 1054 . 111 ILE CG2 C 15.6 0.1 1 1055 . 111 ILE CD1 C 11.6 0.1 1 1056 . 111 ILE N N 119.8 0.1 1 1057 . 112 THR H H 7.77 0.02 1 1058 . 112 THR HA H 4.67 0.02 1 1059 . 112 THR HB H 4.55 0.02 1 1060 . 112 THR HG2 H 1.25 0.02 1 1061 . 112 THR CA C 56.8 0.1 1 1062 . 112 THR CB C 70.0 0.1 1 1063 . 112 THR CG2 C 18.7 0.1 1 1064 . 112 THR N N 114.6 0.1 1 1065 . 113 GLU H H 9.41 0.02 1 1066 . 113 GLU HA H 3.67 0.02 1 1067 . 113 GLU HB2 H 2.04 0.02 2 1068 . 113 GLU HB3 H 1.95 0.02 2 1069 . 113 GLU HG2 H 2.19 0.02 1 1070 . 113 GLU HG3 H 2.19 0.02 1 1071 . 113 GLU CA C 57.9 0.1 1 1072 . 113 GLU CB C 26.3 0.1 1 1073 . 113 GLU CG C 34.1 0.1 1 1074 . 113 GLU N N 120.3 0.1 1 1075 . 114 ASP H H 8.17 0.02 1 1076 . 114 ASP HA H 4.24 0.02 1 1077 . 114 ASP HB2 H 2.53 0.02 2 1078 . 114 ASP HB3 H 2.45 0.02 2 1079 . 114 ASP CA C 54.4 0.1 1 1080 . 114 ASP CB C 37.4 0.1 1 1081 . 114 ASP N N 116.8 0.1 1 1082 . 115 GLU H H 7.60 0.02 1 1083 . 115 GLU HA H 4.00 0.02 1 1084 . 115 GLU HB2 H 1.86 0.02 1 1085 . 115 GLU HB3 H 1.86 0.02 1 1086 . 115 GLU HG2 H 2.23 0.02 1 1087 . 115 GLU HG3 H 2.23 0.02 1 1088 . 115 GLU CA C 56.3 0.1 1 1089 . 115 GLU CB C 26.4 0.1 1 1090 . 115 GLU CG C 33.3 0.1 1 1091 . 115 GLU N N 119.0 0.1 1 1092 . 116 LEU H H 7.56 0.02 1 1093 . 116 LEU HA H 4.06 0.02 1 1094 . 116 LEU HB2 H 2.02 0.02 2 1095 . 116 LEU HB3 H 1.32 0.02 2 1096 . 116 LEU HG H 1.74 0.02 1 1097 . 116 LEU HD1 H 0.64 0.02 2 1098 . 116 LEU HD2 H 0.79 0.02 2 1099 . 116 LEU CA C 55.5 0.1 1 1100 . 116 LEU CB C 40.0 0.1 1 1101 . 116 LEU CD1 C 23.1 0.1 2 1102 . 116 LEU CD2 C 21.3 0.1 2 1103 . 116 LEU N N 118.1 0.1 1 1104 . 117 LYS H H 8.29 0.02 1 1105 . 117 LYS HA H 3.75 0.02 1 1106 . 117 LYS HB2 H 1.95 0.02 2 1107 . 117 LYS HB3 H 1.82 0.02 2 1108 . 117 LYS HG2 H 1.44 0.02 1 1109 . 117 LYS HG3 H 1.44 0.02 1 1110 . 117 LYS HD2 H 1.55 0.02 1 1111 . 117 LYS HD3 H 1.55 0.02 1 1112 . 117 LYS HE2 H 2.90 0.02 1 1113 . 117 LYS HE3 H 2.90 0.02 1 1114 . 117 LYS CA C 56.0 0.1 1 1115 . 117 LYS CB C 29.3 0.1 1 1116 . 117 LYS CG C 22.2 0.1 1 1117 . 117 LYS CD C 27.5 0.1 1 1118 . 117 LYS N N 121.3 0.1 1 1119 . 118 GLU H H 7.03 0.02 1 1120 . 118 GLU HA H 3.98 0.02 1 1121 . 118 GLU HB2 H 2.04 0.02 1 1122 . 118 GLU HB3 H 2.04 0.02 1 1123 . 118 GLU HG2 H 2.39 0.02 2 1124 . 118 GLU HG3 H 2.18 0.02 2 1125 . 118 GLU CA C 55.6 0.1 1 1126 . 118 GLU CB C 26.7 0.1 1 1127 . 118 GLU CG C 33.1 0.1 1 1128 . 118 GLU N N 114.5 0.1 1 1129 . 119 VAL H H 6.86 0.02 1 1130 . 119 VAL HA H 3.64 0.02 1 1131 . 119 VAL HB H 1.66 0.02 1 1132 . 119 VAL HG1 H 0.83 0.02 2 1133 . 119 VAL HG2 H 0.02 0.02 2 1134 . 119 VAL CA C 62.0 0.1 1 1135 . 119 VAL CB C 26.7 0.1 1 1136 . 119 VAL CG1 C 18.1 0.1 1 1137 . 119 VAL CG2 C 17.1 0.1 1 1138 . 119 VAL N N 116.9 0.1 1 1139 . 120 PHE H H 8.18 0.02 1 1140 . 120 PHE HA H 4.98 0.02 1 1141 . 120 PHE HB2 H 2.76 0.02 1 1142 . 120 PHE HB3 H 2.76 0.02 1 1143 . 120 PHE HD1 H 7.46 0.02 1 1144 . 120 PHE HD2 H 7.46 0.02 1 1145 . 120 PHE CA C 53.1 0.1 1 1146 . 120 PHE CB C 34.9 0.1 1 1147 . 120 PHE N N 119.3 0.1 1 1148 . 121 GLU H H 7.46 0.02 1 1149 . 121 GLU HA H 4.19 0.02 1 1150 . 121 GLU HB2 H 1.97 0.02 1 1151 . 121 GLU HB3 H 1.97 0.02 1 1152 . 121 GLU HG2 H 2.21 0.02 1 1153 . 121 GLU HG3 H 2.21 0.02 1 1154 . 121 GLU CA C 56.2 0.1 1 1155 . 121 GLU CB C 26.9 0.1 1 1156 . 121 GLU CG C 32.9 0.1 1 1157 . 121 GLU N N 120.9 0.1 1 1158 . 122 ASP H H 8.92 0.02 1 1159 . 122 ASP HA H 4.68 0.02 1 1160 . 122 ASP HB2 H 2.93 0.02 2 1161 . 122 ASP HB3 H 2.73 0.02 2 1162 . 122 ASP CA C 51.9 0.1 1 1163 . 122 ASP CB C 37.8 0.1 1 1164 . 122 ASP N N 115.8 0.1 1 1165 . 123 ALA H H 7.64 0.02 1 1166 . 123 ALA HA H 3.40 0.02 1 1167 . 123 ALA HB H 0.78 0.02 1 1168 . 123 ALA CA C 50.9 0.1 1 1169 . 123 ALA CB C 15.6 0.1 1 1170 . 123 ALA N N 121.6 0.1 1 1171 . 124 LEU H H 9.04 0.02 1 1172 . 124 LEU HA H 4.19 0.02 1 1173 . 124 LEU HB2 H 1.39 0.02 2 1174 . 124 LEU HB3 H 1.21 0.02 2 1175 . 124 LEU HG H 1.40 0.02 1 1176 . 124 LEU HD1 H 0.79 0.02 1 1177 . 124 LEU HD2 H 0.79 0.02 1 1178 . 124 LEU CA C 53.6 0.1 1 1179 . 124 LEU CB C 41.3 0.1 1 1180 . 124 LEU CG C 24.0 0.1 1 1181 . 124 LEU CD1 C 21.5 0.1 1 1182 . 124 LEU CD2 C 21.5 0.1 1 1183 . 124 LEU N N 122.5 0.1 1 1184 . 125 GLU H H 7.57 0.02 1 1185 . 125 GLU HA H 4.31 0.02 1 1186 . 125 GLU HB2 H 1.72 0.02 1 1187 . 125 GLU HB3 H 1.72 0.02 1 1188 . 125 GLU HG2 H 1.94 0.02 1 1189 . 125 GLU HG3 H 1.94 0.02 1 1190 . 125 GLU CA C 53.4 0.1 1 1191 . 125 GLU CB C 30.3 0.1 1 1192 . 125 GLU CG C 33.9 0.1 1 1193 . 125 GLU N N 115.1 0.1 1 1194 . 126 ILE H H 8.44 0.02 1 1195 . 126 ILE HA H 4.44 0.02 1 1196 . 126 ILE HB H 1.59 0.02 1 1197 . 126 ILE HG12 H 1.35 0.02 2 1198 . 126 ILE HG13 H 0.76 0.02 2 1199 . 126 ILE HG2 H 0.62 0.02 1 1200 . 126 ILE HD1 H 0.71 0.02 1 1201 . 126 ILE CA C 57.3 0.1 1 1202 . 126 ILE CB C 37.2 0.1 1 1203 . 126 ILE CG1 C 25.3 0.1 1 1204 . 126 ILE CG2 C 15.0 0.1 1 1205 . 126 ILE CD1 C 10.9 0.1 1 1206 . 126 ILE N N 124.0 0.1 1 1207 . 127 ARG H H 9.14 0.02 1 1208 . 127 ARG HA H 4.70 0.02 1 1209 . 127 ARG HB2 H 1.70 0.02 2 1210 . 127 ARG HB3 H 1.94 0.02 2 1211 . 127 ARG HG2 H 1.31 0.02 2 1212 . 127 ARG HG3 H 1.40 0.02 2 1213 . 127 ARG HD2 H 3.37 0.02 2 1214 . 127 ARG HD3 H 2.98 0.02 2 1215 . 127 ARG HE H 9.32 0.02 1 1216 . 127 ARG CA C 51.9 0.1 1 1217 . 127 ARG CB C 32.5 0.1 1 1218 . 127 ARG CG C 24.7 0.1 1 1219 . 127 ARG CD C 38 0.1 1 1220 . 127 ARG N N 127.1 0.1 1 1221 . 127 ARG NE N 115.4 0.1 1 1222 . 128 LEU H H 8.90 0.02 1 1223 . 128 LEU HA H 4.32 0.02 1 1224 . 128 LEU HB2 H 1.70 0.02 2 1225 . 128 LEU HB3 H 1.31 0.02 2 1226 . 128 LEU HG H 1.43 0.02 1 1227 . 128 LEU HD1 H 0.74 0.02 1 1228 . 128 LEU HD2 H 0.74 0.02 1 1229 . 128 LEU CA C 52.2 0.1 1 1230 . 128 LEU CB C 40.4 0.1 1 1231 . 128 LEU CG C 24.5 0.1 1 1232 . 128 LEU CD1 C 22.2 0.1 1 1233 . 128 LEU CD2 C 22.2 0.1 1 1234 . 128 LEU N N 125.8 0.1 1 1235 . 129 VAL H H 8.03 0.02 1 1236 . 129 VAL HA H 4.07 0.02 1 1237 . 129 VAL HB H 1.87 0.02 1 1238 . 129 VAL HG1 H 0.98 0.02 2 1239 . 129 VAL HG2 H 1.03 0.02 2 1240 . 129 VAL CA C 60.6 0.1 1 1241 . 129 VAL CB C 29.7 0.1 1 1242 . 129 VAL CG1 C 18.7 0.1 2 1243 . 129 VAL CG2 C 19.1 0.1 2 1244 . 129 VAL N N 126.7 0.1 1 1245 . 130 SER H H 8.55 0.02 1 1246 . 130 SER HA H 5.02 0.02 1 1247 . 130 SER HB2 H 3.50 0.02 1 1248 . 130 SER HB3 H 3.50 0.02 1 1249 . 130 SER CA C 54.5 0.1 1 1250 . 130 SER CB C 63.1 0.1 1 1251 . 130 SER N N 122.2 0.1 1 1252 . 131 GLN H H 8.76 0.02 1 1253 . 131 GLN HA H 4.50 0.02 1 1254 . 131 GLN HB2 H 1.90 0.02 1 1255 . 131 GLN HB3 H 1.90 0.02 1 1256 . 131 GLN HG2 H 2.26 0.02 1 1257 . 131 GLN HG3 H 2.26 0.02 1 1258 . 131 GLN HE21 H 7.57 0.02 1 1259 . 131 GLN HE22 H 6.88 0.02 1 1260 . 131 GLN CA C 52.6 0.1 1 1261 . 131 GLN CB C 28.7 0.1 1 1262 . 131 GLN CG C 30.6 0.1 1 1263 . 131 GLN N N 121.6 0.1 1 1264 . 131 GLN NE2 N 112.1 0.1 1 1265 . 132 ASP H H 9.43 0.02 1 1266 . 132 ASP HA H 4.30 0.02 1 1267 . 132 ASP HB2 H 2.92 0.02 2 1268 . 132 ASP HB3 H 2.64 0.02 2 1269 . 132 ASP CA C 52.8 0.1 1 1270 . 132 ASP CB C 37.3 0.1 1 1271 . 132 ASP N N 126.7 0.1 1 1272 . 133 GLY H H 8.58 0.02 1 1273 . 133 GLY HA2 H 4.11 0.02 2 1274 . 133 GLY HA3 H 3.58 0.02 2 1275 . 133 GLY CA C 42.6 0.1 1 1276 . 133 GLY N N 103.6 0.1 1 1277 . 134 LYS H H 7.70 0.02 1 1278 . 134 LYS HA H 4.56 0.02 1 1279 . 134 LYS HB2 H 1.78 0.02 1 1280 . 134 LYS HB3 H 1.78 0.02 1 1281 . 134 LYS HG2 H 1.36 0.02 1 1282 . 134 LYS HG3 H 1.36 0.02 1 1283 . 134 LYS HD2 H 1.63 0.02 1 1284 . 134 LYS HD3 H 1.63 0.02 1 1285 . 134 LYS HE2 H 2.99 0.02 1 1286 . 134 LYS HE3 H 2.99 0.02 1 1287 . 134 LYS CA C 51.9 0.1 1 1288 . 134 LYS CB C 31.6 0.1 1 1289 . 134 LYS CG C 21.3 0.1 1 1290 . 134 LYS CD C 26.5 0.1 1 1291 . 134 LYS N N 119.8 0.1 1 1292 . 135 SER H H 8.58 0.02 1 1293 . 135 SER HA H 4.43 0.02 1 1294 . 135 SER HB2 H 4.06 0.02 2 1295 . 135 SER HB3 H 3.91 0.02 2 1296 . 135 SER CA C 55.4 0.1 1 1297 . 135 SER CB C 61.5 0.1 1 1298 . 135 SER N N 118.0 0.1 1 1299 . 136 LYS H H 8.78 0.02 1 1300 . 136 LYS HA H 4.44 0.02 1 1301 . 136 LYS HB2 H 1.90 0.02 2 1302 . 136 LYS HB3 H 1.56 0.02 2 1303 . 136 LYS HG2 H 1.50 0.02 1 1304 . 136 LYS HG3 H 1.50 0.02 1 1305 . 136 LYS HE2 H 2.97 0.02 1 1306 . 136 LYS HE3 H 2.97 0.02 1 1307 . 136 LYS CA C 53.5 0.1 1 1308 . 136 LYS CB C 30.2 0.1 1 1309 . 136 LYS CG C 23.1 0.1 1 1310 . 136 LYS N N 122.6 0.1 1 1311 . 137 GLY H H 9.05 0.02 1 1312 . 137 GLY HA2 H 3.96 0.02 2 1313 . 137 GLY HA3 H 3.42 0.02 2 1314 . 137 GLY CA C 44.0 0.1 1 1315 . 137 GLY N N 108.5 0.1 1 1316 . 138 ILE H H 6.86 0.02 1 1317 . 138 ILE HA H 5.31 0.02 1 1318 . 138 ILE HB H 1.51 0.02 1 1319 . 138 ILE HG12 H 1.92 0.02 1 1320 . 138 ILE HG13 H 1.92 0.02 1 1321 . 138 ILE HG2 H 0.77 0.02 1 1322 . 138 ILE HD1 H 0.61 0.02 1 1323 . 138 ILE CA C 55.7 0.1 1 1324 . 138 ILE CB C 39.5 0.1 1 1325 . 138 ILE CG2 C 15.2 0.1 1 1326 . 138 ILE CD1 C 10.0 0.1 1 1327 . 138 ILE N N 109.8 0.1 1 1328 . 139 ALA H H 8.71 0.02 1 1329 . 139 ALA HA H 5.05 0.02 1 1330 . 139 ALA HB H 0.90 0.02 1 1331 . 139 ALA CA C 47.9 0.1 1 1332 . 139 ALA CB C 20.9 0.1 1 1333 . 139 ALA N N 121.8 0.1 1 1334 . 140 TYR H H 8.68 0.02 1 1335 . 140 TYR HA H 4.76 0.02 1 1336 . 140 TYR HB2 H 2.58 0.02 2 1337 . 140 TYR HB3 H 2.39 0.02 2 1338 . 140 TYR HD1 H 6.47 0.02 1 1339 . 140 TYR HD2 H 6.47 0.02 1 1340 . 140 TYR HE1 H 6.29 0.02 1 1341 . 140 TYR HE2 H 6.29 0.02 1 1342 . 140 TYR CA C 55.1 0.1 1 1343 . 140 TYR CB C 38.5 0.1 1 1344 . 140 TYR N N 119.5 0.1 1 1345 . 141 ILE H H 9.17 0.02 1 1346 . 141 ILE HA H 4.16 0.02 1 1347 . 141 ILE HB H 1.44 0.02 1 1348 . 141 ILE HG12 H 0.83 0.02 1 1349 . 141 ILE HG13 H 0.83 0.02 1 1350 . 141 ILE HG2 H -0.12 0.02 1 1351 . 141 ILE HD1 H -0.12 0.02 1 1352 . 141 ILE CA C 57.5 0.1 1 1353 . 141 ILE CB C 35.9 0.1 1 1354 . 141 ILE CG1 C 21.6 0.1 1 1355 . 141 ILE CG2 C 17.8 0.1 1 1356 . 141 ILE CD1 C 11.0 0.1 1 1357 . 141 ILE N N 122.3 0.1 1 1358 . 142 GLU H H 8.80 0.02 1 1359 . 142 GLU HA H 4.70 0.02 1 1360 . 142 GLU HB2 H 1.72 0.02 1 1361 . 142 GLU HB3 H 1.72 0.02 1 1362 . 142 GLU HG2 H 1.85 0.02 2 1363 . 142 GLU HG3 H 2.17 0.02 2 1364 . 142 GLU CA C 52.0 0.1 1 1365 . 142 GLU CB C 30.3 0.1 1 1366 . 142 GLU CG C 33.9 0.1 1 1367 . 142 GLU N N 128.3 0.1 1 1368 . 143 PHE H H 9.13 0.02 1 1369 . 143 PHE HA H 4.52 0.02 1 1370 . 143 PHE HB2 H 3.69 0.02 2 1371 . 143 PHE HB3 H 3.21 0.02 2 1372 . 143 PHE HD1 H 7.42 0.02 1 1373 . 143 PHE HD2 H 7.42 0.02 1 1374 . 143 PHE HE1 H 6.98 0.02 1 1375 . 143 PHE HE2 H 6.98 0.02 1 1376 . 143 PHE CA C 56.0 0.1 1 1377 . 143 PHE CB C 37.9 0.1 1 1378 . 143 PHE N N 125.1 0.1 1 1379 . 144 LYS H H 10.40 0.02 1 1380 . 144 LYS HA H 4.14 0.02 1 1381 . 144 LYS HB2 H 1.97 0.02 1 1382 . 144 LYS HB3 H 1.97 0.02 1 1383 . 144 LYS HG2 H 1.57 0.02 2 1384 . 144 LYS HG3 H 1.50 0.02 2 1385 . 144 LYS HD2 H 1.75 0.02 1 1386 . 144 LYS HD3 H 1.75 0.02 1 1387 . 144 LYS HE2 H 2.98 0.02 1 1388 . 144 LYS HE3 H 2.98 0.02 1 1389 . 144 LYS CA C 55.4 0.1 1 1390 . 144 LYS CB C 30.5 0.1 1 1391 . 144 LYS CG C 23.5 0.1 1 1392 . 144 LYS CD C 26.8 0.1 1 1393 . 144 LYS CE C 39.6 0.1 1 1394 . 144 LYS N N 117.5 0.1 1 1395 . 145 SER H H 7.49 0.02 1 1396 . 145 SER HA H 4.71 0.02 1 1397 . 145 SER HB2 H 4.22 0.02 2 1398 . 145 SER HB3 H 3.88 0.02 2 1399 . 145 SER CA C 51.3 0.1 1 1400 . 145 SER CB C 64.3 0.1 1 1401 . 145 SER N N 107.5 0.1 1 1402 . 146 GLU H H 9.46 0.02 1 1403 . 146 GLU HA H 4.10 0.02 1 1404 . 146 GLU HB2 H 2.04 0.02 1 1405 . 146 GLU HB3 H 2.04 0.02 1 1406 . 146 GLU HG2 H 2.32 0.02 1 1407 . 146 GLU HG3 H 2.32 0.02 1 1408 . 146 GLU CA C 57.2 0.1 1 1409 . 146 GLU CB C 26.2 0.1 1 1410 . 146 GLU CG C 33.1 0.1 1 1411 . 146 GLU N N 124.6 0.1 1 1412 . 147 ALA H H 8.38 0.02 1 1413 . 147 ALA HA H 4.10 0.02 1 1414 . 147 ALA HB H 1.37 0.02 1 1415 . 147 ALA CA C 52.1 0.1 1 1416 . 147 ALA CB C 15.2 0.1 1 1417 . 147 ALA N N 120.8 0.1 1 1418 . 148 ASP H H 7.88 0.02 1 1419 . 148 ASP HA H 4.29 0.02 1 1420 . 148 ASP HB2 H 2.73 0.02 1 1421 . 148 ASP HB3 H 2.51 0.02 1 1422 . 148 ASP CA C 53.4 0.1 1 1423 . 148 ASP CB C 36.8 0.1 1 1424 . 148 ASP N N 118.6 0.1 1 1425 . 149 ALA H H 7.62 0.02 1 1426 . 149 ALA HA H 2.95 0.02 1 1427 . 149 ALA HB H 1.43 0.02 1 1428 . 149 ALA CA C 52.8 0.1 1 1429 . 149 ALA CB C 14.0 0.1 1 1430 . 149 ALA N N 125.0 0.1 1 1431 . 150 GLU H H 8.25 0.02 1 1432 . 150 GLU HA H 4.04 0.02 1 1433 . 150 GLU HB2 H 2.01 0.02 1 1434 . 150 GLU HB3 H 2.01 0.02 1 1435 . 150 GLU HG2 H 2.36 0.02 2 1436 . 150 GLU HG3 H 2.25 0.02 2 1437 . 150 GLU CA C 56.3 0.1 1 1438 . 150 GLU CB C 26.8 0.1 1 1439 . 150 GLU CG C 33.0 0.1 1 1440 . 150 GLU N N 116.7 0.1 1 1441 . 151 LYS H H 7.94 0.02 1 1442 . 151 LYS HA H 4.03 0.02 1 1443 . 151 LYS HB2 H 1.85 0.02 2 1444 . 151 LYS HB3 H 1.75 0.02 2 1445 . 151 LYS HG2 H 1.40 0.02 1 1446 . 151 LYS HG3 H 1.40 0.02 1 1447 . 151 LYS HE2 H 2.87 0.02 1 1448 . 151 LYS HE3 H 2.87 0.02 1 1449 . 151 LYS CA C 56.5 0.1 1 1450 . 151 LYS CB C 29.8 0.1 1 1451 . 151 LYS CG C 21.1 0.1 1 1452 . 151 LYS CE C 39.0 0.1 1 1453 . 151 LYS N N 119.3 0.1 1 1454 . 152 ASN H H 7.63 0.02 1 1455 . 152 ASN HA H 4.22 0.02 1 1456 . 152 ASN HB2 H 2.11 0.02 2 1457 . 152 ASN HB3 H 2.01 0.02 2 1458 . 152 ASN HD21 H 7.94 0.02 1 1459 . 152 ASN HD22 H 7.19 0.02 1 1460 . 152 ASN CA C 55.8 0.1 1 1461 . 152 ASN CB C 38.4 0.1 1 1462 . 152 ASN N N 116.4 0.1 1 1463 . 152 ASN ND2 N 113.6 0.1 1 1464 . 153 LEU H H 8.12 0.02 1 1465 . 153 LEU HA H 3.74 0.02 1 1466 . 153 LEU HB2 H 1.80 0.02 2 1467 . 153 LEU HB3 H 1.36 0.02 2 1468 . 153 LEU HG H 1.33 0.02 1 1469 . 153 LEU HD1 H 0.63 0.02 2 1470 . 153 LEU HD2 H 0.40 0.02 2 1471 . 153 LEU CA C 55.8 0.1 1 1472 . 153 LEU CB C 38.4 0.1 1 1473 . 153 LEU CG C 23.9 0.1 1 1474 . 153 LEU CD1 C 22.8 0.1 2 1475 . 153 LEU CD2 C 21.9 0.1 2 1476 . 153 LEU N N 121.2 0.1 1 1477 . 154 GLU H H 7.50 0.02 1 1478 . 154 GLU HA H 4.00 0.02 1 1479 . 154 GLU HB2 H 2.00 0.02 1 1480 . 154 GLU HB3 H 2.00 0.02 1 1481 . 154 GLU HG2 H 2.28 0.02 1 1482 . 154 GLU HG3 H 2.28 0.02 1 1483 . 154 GLU CA C 56.0 0.1 1 1484 . 154 GLU CB C 27.0 0.1 1 1485 . 154 GLU CG C 32.6 0.1 1 1486 . 154 GLU N N 114.6 0.1 1 1487 . 155 GLU H H 8.21 0.02 1 1488 . 155 GLU HA H 4.11 0.02 1 1489 . 155 GLU HB2 H 2.05 0.02 1 1490 . 155 GLU HB3 H 2.05 0.02 1 1491 . 155 GLU HG2 H 2.55 0.02 2 1492 . 155 GLU HG3 H 2.20 0.02 2 1493 . 155 GLU CA C 55.8 0.1 1 1494 . 155 GLU CB C 27.1 0.1 1 1495 . 155 GLU CG C 33.9 0.1 1 1496 . 155 GLU N N 114.7 0.1 1 1497 . 156 LYS H H 8.26 0.02 1 1498 . 156 LYS HA H 4.33 0.02 1 1499 . 156 LYS HB2 H 1.96 0.02 1 1500 . 156 LYS HB3 H 1.96 0.02 1 1501 . 156 LYS HG2 H 1.28 0.02 1 1502 . 156 LYS HG3 H 1.28 0.02 1 1503 . 156 LYS HE2 H 2.87 0.02 1 1504 . 156 LYS HE3 H 2.87 0.02 1 1505 . 156 LYS CA C 52.8 0.1 1 1506 . 156 LYS CB C 28.1 0.1 1 1507 . 156 LYS CG C 23.0 0.1 1 1508 . 156 LYS CE C 40.2 0.1 1 1509 . 156 LYS N N 114.4 0.1 1 1510 . 157 GLN H H 6.80 0.02 1 1511 . 157 GLN HA H 4.00 0.02 1 1512 . 157 GLN HB2 H 2.54 0.02 2 1513 . 157 GLN HB3 H 1.98 0.02 2 1514 . 157 GLN HG2 H 2.54 0.02 2 1515 . 157 GLN HG3 H 1.96 0.02 2 1516 . 157 GLN HE21 H 7.54 0.02 1 1517 . 157 GLN HE22 H 7.35 0.02 1 1518 . 157 GLN CA C 55.2 0.1 1 1519 . 157 GLN CB C 27.0 0.1 1 1520 . 157 GLN CG C 30.7 0.1 1 1521 . 157 GLN N N 119.2 0.1 1 1522 . 157 GLN NE2 N 111.2 0.1 1 1523 . 158 GLY H H 8.06 0.02 1 1524 . 158 GLY HA2 H 4.00 0.02 1 1525 . 158 GLY HA3 H 4.00 0.02 1 1526 . 158 GLY CA C 42.8 0.1 1 1527 . 158 GLY N N 117.7 0.1 1 1528 . 159 ALA H H 8.08 0.02 1 1529 . 159 ALA HA H 4.00 0.02 1 1530 . 159 ALA HB H 1.22 0.02 1 1531 . 159 ALA CA C 50.5 0.1 1 1532 . 159 ALA CB C 15.5 0.1 1 1533 . 159 ALA N N 124.6 0.1 1 1534 . 160 GLU H H 8.34 0.02 1 1535 . 160 GLU HA H 4.31 0.02 1 1536 . 160 GLU HB2 H 1.85 0.02 2 1537 . 160 GLU HB3 H 1.80 0.02 2 1538 . 160 GLU HG2 H 1.85 0.02 2 1539 . 160 GLU HG3 H 2.02 0.02 2 1540 . 160 GLU CA C 54.3 0.1 1 1541 . 160 GLU CB C 26.8 0.1 1 1542 . 160 GLU CG C 34.0 0.1 1 1543 . 160 GLU N N 120.8 0.1 1 1544 . 161 ILE H H 8.55 0.02 1 1545 . 161 ILE HA H 4.13 0.02 1 1546 . 161 ILE HB H 1.70 0.02 1 1547 . 161 ILE HG2 H 0.75 0.02 1 1548 . 161 ILE HD1 H 0.73 0.02 1 1549 . 161 ILE CA C 58.4 0.1 1 1550 . 161 ILE CB C 36.8 0.1 1 1551 . 161 ILE CG2 C 14.7 0.1 1 1552 . 161 ILE CD1 C 11.8 0.1 1 1553 . 161 ILE N N 125.6 0.1 1 1554 . 162 ASP H H 9.53 0.02 1 1555 . 162 ASP HA H 4.24 0.02 1 1556 . 162 ASP HB2 H 2.95 0.02 2 1557 . 162 ASP HB3 H 2.30 0.02 2 1558 . 162 ASP CA C 52.4 0.1 1 1559 . 162 ASP CB C 36.9 0.1 1 1560 . 162 ASP N N 130.3 0.1 1 1561 . 163 GLY H H 8.50 0.02 1 1562 . 163 GLY HA2 H 4.01 0.02 2 1563 . 163 GLY HA3 H 3.60 0.02 2 1564 . 163 GLY CA C 42.6 0.1 1 1565 . 163 GLY N N 101.4 0.1 1 1566 . 164 ARG H H 7.57 0.02 1 1567 . 164 ARG HA H 4.67 0.02 1 1568 . 164 ARG HB2 H 1.88 0.02 2 1569 . 164 ARG HB3 H 1.80 0.02 2 1570 . 164 ARG HG2 H 1.50 0.02 1 1571 . 164 ARG HG3 H 1.50 0.02 1 1572 . 164 ARG HD2 H 2.99 0.02 2 1573 . 164 ARG HD3 H 2.93 0.02 2 1574 . 164 ARG HE H 6.54 0.02 1 1575 . 164 ARG CA C 51.4 0.1 1 1576 . 164 ARG CB C 29.5 0.1 1 1577 . 164 ARG CG C 23.3 0.1 1 1578 . 164 ARG CD C 40.0 0.1 1 1579 . 164 ARG N N 119.0 0.1 1 1580 . 164 ARG NE N 83.1 0.1 1 1581 . 165 SER H H 8.77 0.02 1 1582 . 165 SER HA H 4.40 0.02 1 1583 . 165 SER HB2 H 3.68 0.02 1 1584 . 165 SER HB3 H 3.68 0.02 1 1585 . 165 SER CA C 55.4 0.1 1 1586 . 165 SER CB C 60.9 0.1 1 1587 . 165 SER N N 121.8 0.1 1 1588 . 166 VAL H H 9.06 0.02 1 1589 . 166 VAL HA H 4.28 0.02 1 1590 . 166 VAL HB H 2.18 0.02 1 1591 . 166 VAL HG1 H 1.13 0.02 2 1592 . 166 VAL HG2 H 1.07 0.02 2 1593 . 166 VAL CA C 59.7 0.1 1 1594 . 166 VAL CB C 30.5 0.1 1 1595 . 166 VAL CG1 C 18.5 0.1 2 1596 . 166 VAL CG2 C 20.5 0.1 2 1597 . 166 VAL N N 131.0 0.1 1 1598 . 167 SER H H 7.88 0.02 1 1599 . 167 SER HA H 4.90 0.02 1 1600 . 167 SER HB2 H 3.72 0.02 2 1601 . 167 SER HB3 H 3.60 0.02 2 1602 . 167 SER CA C 53.4 0.1 1 1603 . 167 SER CB C 62.6 0.1 1 1604 . 167 SER N N 121.1 0.1 1 1605 . 168 LEU H H 9.40 0.02 1 1606 . 168 LEU HA H 5.41 0.02 1 1607 . 168 LEU HB2 H 1.59 0.02 2 1608 . 168 LEU HB3 H 1.07 0.02 2 1609 . 168 LEU HD1 H 0.79 0.02 1 1610 . 168 LEU HD2 H 0.79 0.02 1 1611 . 168 LEU CA C 50.6 0.1 1 1612 . 168 LEU CB C 43.5 0.1 1 1613 . 168 LEU CD1 C 21.7 0.1 1 1614 . 168 LEU CD2 C 23.6 0.1 1 1615 . 168 LEU N N 124.7 0.1 1 1616 . 169 TYR H H 9.10 0.02 1 1617 . 169 TYR HA H 4.56 0.02 1 1618 . 169 TYR HB2 H 2.59 0.02 2 1619 . 169 TYR HB3 H 3.22 0.02 2 1620 . 169 TYR HD1 H 7.11 0.02 1 1621 . 169 TYR HD2 H 7.11 0.02 1 1622 . 169 TYR HE1 H 6.68 0.02 1 1623 . 169 TYR HE2 H 6.68 0.02 1 1624 . 169 TYR CA C 53.3 0.1 1 1625 . 169 TYR CB C 39.5 0.1 1 1626 . 169 TYR N N 119.0 0.1 1 1627 . 170 TYR H H 8.71 0.02 1 1628 . 170 TYR HA H 4.89 0.02 1 1629 . 170 TYR HB2 H 2.74 0.02 2 1630 . 170 TYR HB3 H 3.21 0.02 2 1631 . 170 TYR HD1 H 7.18 0.02 1 1632 . 170 TYR HD2 H 7.18 0.02 1 1633 . 170 TYR HE1 H 6.70 0.02 1 1634 . 170 TYR HE2 H 6.70 0.02 1 1635 . 170 TYR CA C 55.4 0.1 1 1636 . 170 TYR CB C 36.8 0.1 1 1637 . 170 TYR N N 120.8 0.1 1 1638 . 171 THR H H 8.45 0.02 1 1639 . 171 THR HA H 4.56 0.02 1 1640 . 171 THR HB H 4.37 0.02 1 1641 . 171 THR HG2 H 1.24 0.02 1 1642 . 171 THR CA C 59.0 0.1 1 1643 . 171 THR CB C 67.4 0.1 1 1644 . 171 THR CG2 C 19.7 0.1 1 1645 . 171 THR N N 111.5 0.1 1 1646 . 172 GLY H H 7.52 0.02 1 1647 . 172 GLY HA2 H 3.97 0.02 2 1648 . 172 GLY HA3 H 3.67 0.02 2 1649 . 172 GLY CA C 42.9 0.1 1 1650 . 172 GLY N N 107.8 0.1 1 1651 . 173 GLU H H 8.40 0.02 1 1652 . 173 GLU HA H 4.30 0.02 1 1653 . 173 GLU HB2 H 2.03 0.02 1 1654 . 173 GLU HB3 H 2.03 0.02 1 1655 . 173 GLU HG2 H 1.80 0.02 2 1656 . 173 GLU HG3 H 1.50 0.02 2 1657 . 173 GLU CA C 54.3 0.1 1 1658 . 173 GLU CB C 27.1 0.1 1 1659 . 173 GLU CG C 33.9 0.1 1 1660 . 173 GLU N N 121.6 0.1 1 1661 . 174 LYS H H 8.13 0.02 1 1662 . 174 LYS HA H 4.24 0.02 1 1663 . 174 LYS HB2 H 1.68 0.02 1 1664 . 174 LYS HB3 H 1.68 0.02 1 1665 . 174 LYS CA C 54.3 0.1 1 1666 . 174 LYS CB C 30.1 0.1 1 1667 . 174 LYS N N 121.3 0.1 1 1668 . 175 GLY H H 7.85 0.02 1 1669 . 175 GLY HA2 H 3.82 0.02 2 1670 . 175 GLY HA3 H 3.60 0.02 2 1671 . 175 GLY CA C 44.0 0.1 1 1672 . 175 GLY N N 114.9 0.1 1 stop_ save_ save_chemical_shift_set_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'SNRE RNA' _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 G H1 H 13.20 0.02 1 2 . 1 G H8 H 7.99 0.02 1 3 . 1 G C8 C 136.1 0.1 1 4 . 1 G N1 N 149.0 0.1 1 5 . 1 G H1' H 5.78 0.02 1 6 . 1 G H2' H 4.89 0.02 1 7 . 1 G H3' H 4.66 0.02 1 8 . 1 G H4' H 4.54 0.02 1 9 . 1 G H5' H 4.23 0.02 2 10 . 1 G H5'' H 4.23 0.02 2 11 . 1 G C1' C 89.0 0.1 1 12 . 1 G C2' C 72.2 0.1 1 13 . 1 G C3' C 72.7 0.1 1 14 . 1 G C4' C 79.6 0.1 1 15 . 1 G C5' C 64.2 0.1 1 16 . 2 G H1 H 13.4 0.02 1 17 . 2 G H8 H 7.67 0.02 1 18 . 2 G C8 C 134.3 0.1 1 19 . 2 G N1 N 149.1 0.1 1 20 . 2 G H1' H 5.86 0.02 1 21 . 2 G H2' H 4.51 0.02 1 22 . 2 G H3' H 4.95 0.02 1 23 . 2 G H4' H 4.54 0.02 1 24 . 2 G C1' C 90.1 0.1 1 25 . 2 G C2' C 74.3 0.1 1 26 . 2 G C3' C 71.9 0.1 1 27 . 2 G C4' C 79.5 0.1 1 28 . 3 C H41 H 8.44 0.02 2 29 . 3 C H42 H 7.70 0.02 2 30 . 3 C H5 H 5.12 0.02 1 31 . 3 C H6 H 7.60 0.02 1 32 . 3 C C5 C 94.3 0.1 1 33 . 3 C C6 C 138.8 0.1 1 34 . 3 C H1' H 5.52 0.02 1 35 . 3 C H2' H 4.43 0.02 1 36 . 3 C H3' H 4.53 0.02 1 37 . 3 C H4' H 4.35 0.02 1 38 . 3 C C1' C 91.1 0.1 1 39 . 3 C C2' C 72.8 0.1 1 40 . 3 C C3' C 70.0 0.1 1 41 . 3 C C4' C 79.3 0.1 1 42 . 4 C H41 H 8.15 0.02 2 43 . 4 C H42 H 6.05 0.02 2 44 . 4 C H5 H 4.99 0.02 1 45 . 4 C H6 H 7.13 0.02 1 46 . 4 C C5 C 95.0 0.1 1 47 . 4 C C6 C 137.9 0.1 1 48 . 4 C H1' H 5.36 0.02 1 49 . 4 C H2' H 4.66 0.02 1 50 . 4 C H3' H 4.11 0.02 1 51 . 4 C H4' H 4.38 0.02 1 52 . 4 C H5' H 4.06 0.02 2 53 . 4 C H5'' H 4.34 0.02 2 54 . 4 C C1' C 92.5 0.1 1 55 . 4 C C2' C 74.1 0.1 1 56 . 4 C C3' C 70.9 0.1 1 57 . 4 C C4' C 79.4 0.1 1 58 . 4 C C5' C 65.0 0.1 1 59 . 5 G H1 H 12.00 0.02 1 60 . 5 G H8 H 7.82 0.02 1 61 . 5 G C8 C 134.2 0.1 1 62 . 5 G N1 N 147.0 0.1 1 63 . 5 G H1' H 5.59 0.02 1 64 . 5 G H2' H 4.93 0.02 1 65 . 5 G H3' H 4.26 0.02 1 66 . 5 G H4' H 4.38 0.02 1 67 . 5 G C1' C 87.6 0.1 1 68 . 5 G C2' C 70.5 0.1 1 69 . 5 G C3' C 73.5 0.1 1 70 . 5 G C4' C 79.4 0.1 1 71 . 6 A H2 H 7.54 0.02 1 72 . 6 A H8 H 7.41 0.02 1 73 . 6 A C2 C 151.3 0.1 1 74 . 6 A C8 C 136.9 0.1 1 75 . 6 A H1' H 5.89 0.02 1 76 . 6 A H2' H 4.96 0.02 1 77 . 6 A H3' H 4.26 0.02 1 78 . 6 A H4' H 4.82 0.02 1 79 . 6 A C1' C 92.1 0.1 1 80 . 6 A C2' C 71.8 0.1 1 81 . 6 A C3' C 73.3 0.1 1 82 . 6 A C4' C 81.0 0.1 1 83 . 7 A H2 H 7.80 0.02 1 84 . 7 A H8 H 7.75 0.02 1 85 . 7 A C2 C 152.5 0.1 1 86 . 7 A C8 C 136.4 0.1 1 87 . 7 A H1' H 5.61 0.02 1 88 . 7 A H2' H 4.50 0.02 1 89 . 7 A H3' H 4.99 0.02 1 90 . 7 A H4' H 4.36 0.02 1 91 . 7 A C1' C 90.9 0.1 1 92 . 7 A C2' C 74.4 0.1 1 93 . 7 A C3' C 76.6 0.1 1 94 . 7 A C4' C 79.4 0.1 1 95 . 8 A H2 H 7.67 0.02 1 96 . 8 A H8 H 8.08 0.02 1 97 . 8 A C2 C 152.4 0.1 1 98 . 8 A C8 C 138.0 0.1 1 99 . 8 A H1' H 5.83 0.02 1 100 . 8 A H2' H 4.51 0.02 1 101 . 8 A H3' H 4.07 0.02 1 102 . 8 A H4' H 4.44 0.02 1 103 . 8 A C1' C 88.3 0.1 1 104 . 8 A C2' C 74.5 0.1 1 105 . 8 A C3' C 73.4 0.1 1 106 . 8 A C4' C 79.4 0.1 1 107 . 9 U H5 H 5.73 0.02 1 108 . 9 U H6 H 7.71 0.02 1 109 . 9 U C5 C 102.9 0.1 1 110 . 9 U C6 C 141.8 0.1 1 111 . 9 U H1' H 6.16 0.02 1 112 . 9 U H2' H 4.70 0.02 1 113 . 9 U H3' H 4.50 0.02 1 114 . 9 U H4' H 4.57 0.02 1 115 . 9 U H5' H 4.24 0.02 2 116 . 9 U H5'' H 4.12 0.02 2 117 . 9 U C1' C 86.1 0.1 1 118 . 9 U C2' C 72.9 0.1 1 119 . 9 U C3' C 74.6 0.1 1 120 . 9 U C4' C 84.3 0.1 1 121 . 9 U C5' C 65.0 0.1 1 122 . 10 C H5 H 5.17 0.02 1 123 . 10 C H6 H 5.62 0.02 1 124 . 10 C C5 C 95.3 0.1 1 125 . 10 C C6 C 139.1 0.1 1 126 . 10 C H1' H 5.17 0.02 1 127 . 10 C H2' H 4.40 0.02 1 128 . 10 C H3' H 4.53 0.02 1 129 . 10 C H4' H 4.40 0.02 1 130 . 10 C C1' C 92.0 0.1 1 131 . 10 C C2' C 69.2 0.1 1 132 . 10 C C3' C 73.0 0.1 1 133 . 10 C C4' C 79.4 0.1 1 134 . 11 C H5 H 5.61 0.02 1 135 . 11 C H6 H 7.61 0.02 1 136 . 11 C C5 C 95.5 0.1 1 137 . 11 C C6 C 139.1 0.1 1 138 . 11 C H1' H 5.48 0.02 1 139 . 11 C H2' H 3.82 0.02 1 140 . 11 C H3' H 3.97 0.02 1 141 . 11 C H4' H 4.40 0.02 1 142 . 11 C C1' C 91.1 0.1 1 143 . 11 C C2' C 74.8 0.1 1 144 . 11 C C3' C 74.3 0.1 1 145 . 11 C C4' C 80.3 0.1 1 146 . 12 C H5 H 4.82 0.02 1 147 . 12 C H6 H 6.92 0.02 1 148 . 12 C C5 C 96.9 0.1 1 149 . 12 C C6 C 141.6 0.1 1 150 . 12 C H1' H 6.00 0.02 1 151 . 12 C H2' H 3.80 0.02 1 152 . 12 C H3' H 4.07 0.02 1 153 . 12 C H4' H 3.60 0.02 1 154 . 12 C H5' H 3.09 0.02 2 155 . 12 C H5'' H 2.41 0.02 2 156 . 12 C C1' C 84.0 0.1 1 157 . 12 C C2' C 73.3 0.1 1 158 . 12 C C3' C 76.3 0.1 1 159 . 12 C C4' C 79.6 0.1 1 160 . 12 C C5' C 64.8 0.1 1 161 . 13 G H8 H 7.70 0.02 1 162 . 13 G C8 C 139.1 0.1 1 163 . 13 G H1' H 5.77 0.02 1 164 . 13 G H2' H 5.61 0.02 1 165 . 13 G H3' H 5.00 0.02 1 166 . 13 G H4' H 4.60 0.02 1 167 . 13 G H5' H 4.04 0.02 2 168 . 13 G H5'' H 4.04 0.02 2 169 . 13 G C1' C 88.3 0.1 1 170 . 13 G C2' C 68.6 0.1 1 171 . 13 G C3' C 78.0 0.1 1 172 . 13 G C4' C 84.7 0.1 1 173 . 14 A H2 H 7.57 0.02 1 174 . 14 A H8 H 7.92 0.02 1 175 . 14 A C2 C 152.6 0.1 1 176 . 14 A C8 C 138.5 0.1 1 177 . 14 A H1' H 6.00 0.02 1 178 . 14 A H2' H 5.23 0.02 1 179 . 14 A H3' H 4.60 0.02 1 180 . 14 A H4' H 4.42 0.02 1 181 . 14 A C1' C 85.3 0.1 1 182 . 14 A C2' C 71.7 0.1 1 183 . 14 A C3' C 77.7 0.1 1 184 . 14 A C4' C 84.5 0.1 1 185 . 15 A H2 H 7.92 0.02 1 186 . 15 A H8 H 8.04 0.02 1 187 . 15 A C2 C 153.2 0.1 1 188 . 15 A C8 C 138.0 0.1 1 189 . 15 A H1' H 5.75 0.02 1 190 . 15 A H2' H 4.30 0.02 1 191 . 15 A H3' H 4.80 0.02 1 192 . 15 A H4' H 4.70 0.02 1 193 . 15 A C1' C 86.5 0.1 1 194 . 15 A C2' C 72.0 0.1 1 195 . 15 A C3' C 75.3 0.1 1 196 . 15 A C4' C 84.8 0.1 1 197 . 16 G H1 H 12.06 0.02 1 198 . 16 G H8 H 8.18 0.02 1 199 . 16 G C8 C 135.4 0.1 1 200 . 16 G H1' H 6.09 0.02 1 201 . 16 G H2' H 4.94 0.02 1 202 . 16 G H3' H 4.90 0.02 1 203 . 16 G H4' H 4.70 0.02 1 204 . 16 G H5' H 4.11 0.02 1 205 . 16 G H5'' H 4.36 0.02 1 206 . 16 G C1' C 82.0 0.1 1 207 . 16 G C2' C 71.5 0.1 1 208 . 16 G C3' C 77.9 0.1 1 209 . 16 G C4' C 82.3 0.1 1 210 . 16 G C5' C 67.6 0.1 1 211 . 17 U H3 H 12.40 0.02 1 212 . 17 U H5 H 6.00 0.02 1 213 . 17 U H6 H 8.09 0.02 1 214 . 17 U C5 C 101.3 0.1 1 215 . 17 U C6 C 139.9 0.1 1 216 . 17 U N3 N 161.0 0.1 1 217 . 17 U H1' H 5.47 0.02 1 218 . 17 U H2' H 4.91 0.02 1 219 . 17 U H3' H 4.80 0.02 1 220 . 17 U H4' H 4.50 0.02 1 221 . 17 U C1' C 93.9 0.1 1 222 . 17 U C2' C 69.7 0.1 1 223 . 17 U C3' C 75.2 0.1 1 224 . 17 U C4' C 81.2 0.1 1 225 . 18 A H2 H 6.77 0.02 1 226 . 18 A H8 H 7.63 0.02 1 227 . 18 A C2 C 150.5 0.1 1 228 . 18 A C8 C 136.4 0.1 1 229 . 18 A H1' H 5.83 0.02 1 230 . 18 A H2' H 4.80 0.02 1 231 . 18 A H3' H 4.60 0.02 1 232 . 18 A H4' H 4.44 0.02 1 233 . 18 A H5' H 4.22 0.02 2 234 . 18 A H5'' H 3.91 0.02 2 235 . 18 A C1' C 90.2 0.1 1 236 . 18 A C2' C 72.4 0.1 1 237 . 18 A C3' C 69.4 0.1 1 238 . 18 A C4' C 79.5 0.1 1 239 . 19 G H1 H 12.86 0.02 1 240 . 19 G H8 H 7.42 0.02 1 241 . 19 G C8 C 133.1 0.1 1 242 . 19 G N1 N 149.0 0.1 1 243 . 19 G H1' H 3.90 0.02 1 244 . 19 G H2' H 4.17 0.02 1 245 . 19 G H3' H 4.35 0.02 1 246 . 19 G H4' H 4.21 0.02 1 247 . 19 G H5' H 4.05 0.02 2 248 . 19 G H5'' H 4.05 0.02 2 249 . 19 G C1' C 89.7 0.1 1 250 . 19 G C2' C 72.2 0.1 1 251 . 19 G C3' C 69.5 0.1 1 252 . 19 G C4' C 79.4 0.1 1 253 . 20 G H1 H 13.0 0.02 1 254 . 20 G H8 H 7.06 0.02 1 255 . 20 G C8 C 133.3 0.1 1 256 . 20 G N1 N 149.0 0.1 1 257 . 20 G H1' H 5.62 0.02 1 258 . 20 G H2' H 4.51 0.02 1 259 . 20 G H3' H 4.39 0.02 1 260 . 20 G H4' H 4.34 0.02 1 261 . 20 G C1' C 89.6 0.1 1 262 . 20 G C2' C 74.0 0.1 1 263 . 20 G C3' C 69.3 0.1 1 264 . 20 G C4' C 79.2 0.1 1 265 . 21 C H41 H 8.54 0.02 1 266 . 21 C H42 H 7.06 0.02 1 267 . 21 C H5 H 5.11 0.02 1 268 . 21 C H6 H 7.63 0.02 1 269 . 21 C C5 C 94.5 0.1 1 270 . 21 C C6 C 138.5 0.1 1 271 . 21 C H1' H 5.73 0.02 1 272 . 21 C H2' H 3.97 0.02 1 273 . 21 C H3' H 4.66 0.02 1 274 . 21 C H4' H 4.15 0.02 1 275 . 21 C C1' C 90.6 0.1 1 276 . 21 C C2' C 74.9 0.1 1 277 . 21 C C3' C 72.5 0.1 1 278 . 21 C C4' C 80.2 0.1 1 279 . 22 C H41 H 8.63 0.02 1 280 . 22 C H42 H 6.86 0.02 1 281 . 22 C H5 H 5.50 0.02 1 282 . 22 C H6 H 7.61 0.02 1 283 . 22 C C5 C 95.5 0.1 1 284 . 22 C C6 C 139.2 0.1 1 285 . 22 C H1' H 5.70 0.02 1 286 . 22 C H2' H 4.26 0.02 1 287 . 22 C H3' H 4.12 0.02 1 288 . 22 C H4' H 4.13 0.02 1 289 . 22 C C1' C 91.0 0.1 1 290 . 22 C C2' C 73.1 0.1 1 291 . 22 C C3' C 67.0 0.1 1 292 . 22 C C4' C 80.6 0.1 1 stop_ save_