data_15212 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Chemical Shift Assignments for the first Nterminal domain, RRM1, of hnRNP H ; _BMRB_accession_number 15212 _BMRB_flat_file_name bmr15212.str _Entry_type original _Submission_date 2007-04-13 _Accession_date 2007-04-13 _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 CABAL Stephanie . . 2 Guittet Eric . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 536 "13C chemical shifts" 385 "15N chemical shifts" 101 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-12 update BMRB 'added PubMed ID' 2008-01-28 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 13C and 15N Resonance assignments of the first N-terminal RNA recognition motif (RRM) of the human heterogeneous nuclear ribonucleoprotein H (hnRNP H)' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636870 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cabal Stephanie . . 2 'van Heijenoort' Carine . . 3 Guittet Eric . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 1 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 221 _Page_last 223 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'RRM1 domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'domain 1' $RRM1_hnRNPH 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_RRM1_hnRNPH _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RRM1_hnRNPH _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 104 _Mol_residue_sequence ; MMLGTEGGEGFVVKVRGLPW SCSADEVQRFFSDCKIQNGA QGIRFIYTREGRPSGEAFVE LESEDEVKLALKKDRETMGH RYVEVFKSNNVEMDWVLKHT GPNS ; loop_ _Residue_seq_code _Residue_label 1 MET 2 MET 3 LEU 4 GLY 5 THR 6 GLU 7 GLY 8 GLY 9 GLU 10 GLY 11 PHE 12 VAL 13 VAL 14 LYS 15 VAL 16 ARG 17 GLY 18 LEU 19 PRO 20 TRP 21 SER 22 CYS 23 SER 24 ALA 25 ASP 26 GLU 27 VAL 28 GLN 29 ARG 30 PHE 31 PHE 32 SER 33 ASP 34 CYS 35 LYS 36 ILE 37 GLN 38 ASN 39 GLY 40 ALA 41 GLN 42 GLY 43 ILE 44 ARG 45 PHE 46 ILE 47 TYR 48 THR 49 ARG 50 GLU 51 GLY 52 ARG 53 PRO 54 SER 55 GLY 56 GLU 57 ALA 58 PHE 59 VAL 60 GLU 61 LEU 62 GLU 63 SER 64 GLU 65 ASP 66 GLU 67 VAL 68 LYS 69 LEU 70 ALA 71 LEU 72 LYS 73 LYS 74 ASP 75 ARG 76 GLU 77 THR 78 MET 79 GLY 80 HIS 81 ARG 82 TYR 83 VAL 84 GLU 85 VAL 86 PHE 87 LYS 88 SER 89 ASN 90 ASN 91 VAL 92 GLU 93 MET 94 ASP 95 TRP 96 VAL 97 LEU 98 LYS 99 HIS 100 THR 101 GLY 102 PRO 103 ASN 104 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 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 18698 HR8614A 94.23 108 100.00 100.00 1.56e-65 PDB 2LXU "Solution Nmr Structure Of The Eukaryotic Rna Recognition Motif, Rrm1, From The Heterogeneous Nuclear Ribonucleoprotein H From H" 94.23 108 100.00 100.00 1.56e-65 GB AAH99792 "Hnrph1 protein [Rattus norvegicus]" 100.00 184 99.04 99.04 1.23e-68 GB EDM04272 "heterogeneous nuclear ribonucleoprotein H1, isoform CRA_a [Rattus norvegicus]" 80.77 96 98.81 98.81 2.98e-53 GB EDM04274 "heterogeneous nuclear ribonucleoprotein H1, isoform CRA_c [Rattus norvegicus]" 100.00 134 99.04 99.04 6.06e-69 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $RRM1_hnRNPH Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $RRM1_hnRNPH 'recombinant technology' . Escherichia coli . pEt15b 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 $RRM1_hnRNPH 0.8 mM '[U-90% 13C; U-98% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' EDTA 1 mM 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RRM1_hnRNPH 0.8 mM '[U-98% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' EDTA 1 mM 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RRM1_hnRNPH 0.8 mM '[U-90% 13C; U-95% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' EDTA 1 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_C(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_2D_1H-1H_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 1 . M pH 2.2 . pH pressure 1 . atm temperature 295 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_2 $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'domain 1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.32 0.04 1 2 1 1 MET HG2 H 2.44 0.04 1 3 1 1 MET HG3 H 2.37 0.04 1 4 1 1 MET C C 176.00 0.25 1 5 1 1 MET CA C 55.20 0.25 1 6 1 1 MET CB C 32.19 0.25 1 7 1 1 MET N N 122.41 0.25 1 8 2 2 MET H H 8.30 0.02 1 9 2 2 MET HA H 4.35 0.04 1 10 2 2 MET HB2 H 1.93 0.04 1 11 2 2 MET HB3 H 1.86 0.04 1 12 2 2 MET HG2 H 2.45 0.04 1 13 2 2 MET HG3 H 2.39 0.04 1 14 2 2 MET C C 176.00 0.25 1 15 2 2 MET CA C 54.85 0.25 1 16 2 2 MET CB C 32.07 0.25 1 17 2 2 MET CG C 31.37 0.25 1 18 2 2 MET N N 121.70 0.25 1 19 3 3 LEU H H 8.18 0.02 1 20 3 3 LEU HA H 4.22 0.04 1 21 3 3 LEU HB2 H 1.53 0.04 1 22 3 3 LEU HB3 H 1.45 0.04 1 23 3 3 LEU HG H 1.48 0.04 1 24 3 3 LEU HD1 H 0.76 0.04 1 25 3 3 LEU HD2 H 0.73 0.04 1 26 3 3 LEU C C 177.90 0.25 1 27 3 3 LEU CA C 54.50 0.25 1 28 3 3 LEU CB C 41.80 0.25 1 29 3 3 LEU CG C 25.98 0.25 1 30 3 3 LEU CD1 C 24.33 0.25 1 31 3 3 LEU CD2 C 22.99 0.25 1 32 3 3 LEU N N 123.90 0.25 1 33 4 4 GLY H H 8.32 0.02 1 34 4 4 GLY HA2 H 3.87 0.04 1 35 4 4 GLY HA3 H 3.87 0.04 1 36 4 4 GLY C C 174.50 0.25 1 37 4 4 GLY CA C 45.06 0.25 1 38 4 4 GLY N N 109.60 0.25 1 39 5 5 THR H H 7.91 0.02 1 40 5 5 THR HA H 4.22 0.04 1 41 5 5 THR HB H 4.13 0.04 1 42 5 5 THR HG2 H 1.05 0.04 1 43 5 5 THR C C 175.00 0.25 1 44 5 5 THR CA C 61.24 0.25 1 45 5 5 THR CB C 69.11 0.25 1 46 5 5 THR CG2 C 20.95 0.25 1 47 5 5 THR N N 112.90 0.25 1 48 6 6 GLU H H 8.31 0.02 1 49 6 6 GLU HA H 4.25 0.04 1 50 6 6 GLU HB2 H 2.03 0.04 1 51 6 6 GLU HB3 H 1.88 0.04 1 52 6 6 GLU HG2 H 2.37 0.04 1 53 6 6 GLU HG3 H 2.44 0.04 1 54 6 6 GLU C C 176.60 0.25 1 55 6 6 GLU CA C 55.37 0.25 1 56 6 6 GLU CB C 27.94 0.25 1 57 6 6 GLU CG C 32.13 0.25 1 58 6 6 GLU N N 122.10 0.25 1 59 7 7 GLY H H 8.30 0.02 1 60 7 7 GLY HA2 H 3.82 0.04 1 61 7 7 GLY HA3 H 3.82 0.04 1 62 7 7 GLY C C 174.70 0.25 1 63 7 7 GLY CA C 45.04 0.25 1 64 7 7 GLY N N 109.70 0.25 1 65 8 8 GLY H H 8.09 0.02 1 66 8 8 GLY HA2 H 3.83 0.04 1 67 8 8 GLY HA3 H 3.83 0.04 1 68 8 8 GLY C C 174.40 0.25 1 69 8 8 GLY CA C 44.97 0.25 1 70 8 8 GLY N N 108.40 0.25 1 71 9 9 GLU H H 8.14 0.02 1 72 9 9 GLU HA H 4.23 0.04 1 73 9 9 GLU HB2 H 2.00 0.04 1 74 9 9 GLU HB3 H 1.83 0.04 1 75 9 9 GLU HG2 H 2.33 0.04 1 76 9 9 GLU HG3 H 2.30 0.04 1 77 9 9 GLU C C 176.10 0.25 1 78 9 9 GLU CA C 55.67 0.25 1 79 9 9 GLU CB C 28.31 0.25 1 80 9 9 GLU CG C 32.22 0.25 1 81 9 9 GLU N N 119.20 0.25 1 82 10 10 GLY H H 7.80 0.02 1 83 10 10 GLY HA2 H 3.73 0.04 1 84 10 10 GLY HA3 H 3.28 0.04 1 85 10 10 GLY C C 172.50 0.25 1 86 10 10 GLY CA C 43.68 0.25 1 87 10 10 GLY N N 108.00 0.25 1 88 11 11 PHE H H 8.26 0.02 1 89 11 11 PHE HA H 4.69 0.04 1 90 11 11 PHE HB2 H 2.67 0.04 1 91 11 11 PHE HB3 H 2.49 0.04 1 92 11 11 PHE HD1 H 6.92 0.04 1 93 11 11 PHE HD2 H 6.92 0.04 1 94 11 11 PHE C C 173.30 0.25 1 95 11 11 PHE CA C 55.10 0.25 1 96 11 11 PHE CB C 37.99 0.25 1 97 11 11 PHE N N 122.20 0.25 1 98 12 12 VAL H H 8.43 0.02 1 99 12 12 VAL HA H 4.96 0.04 1 100 12 12 VAL HB H 1.40 0.04 1 101 12 12 VAL HG1 H 0.89 0.04 1 102 12 12 VAL HG2 H 0.75 0.04 1 103 12 12 VAL C C 175.60 0.25 1 104 12 12 VAL CA C 59.74 0.25 1 105 12 12 VAL CB C 36.16 0.25 1 106 12 12 VAL CG1 C 22.47 0.25 1 107 12 12 VAL CG2 C 21.46 0.25 1 108 12 12 VAL N N 123.20 0.25 1 109 13 13 VAL H H 8.25 0.02 1 110 13 13 VAL HA H 4.94 0.04 1 111 13 13 VAL HB H 1.96 0.04 1 112 13 13 VAL HG1 H 0.65 0.04 1 113 13 13 VAL HG2 H 0.36 0.04 1 114 13 13 VAL C C 173.40 0.25 1 115 13 13 VAL CA C 58.06 0.25 1 116 13 13 VAL CB C 33.73 0.25 1 117 13 13 VAL CG1 C 22.06 0.25 1 118 13 13 VAL CG2 C 17.49 0.25 1 119 13 13 VAL N N 115.30 0.25 1 120 14 14 LYS H H 9.14 0.02 1 121 14 14 LYS HA H 4.48 0.04 1 122 14 14 LYS HB2 H 1.53 0.04 1 123 14 14 LYS HB3 H 1.29 0.04 1 124 14 14 LYS HG3 H 0.71 0.04 1 125 14 14 LYS C C 174.00 0.25 1 126 14 14 LYS CA C 53.79 0.25 1 127 14 14 LYS CB C 35.04 0.25 1 128 14 14 LYS CG C 23.69 0.25 1 129 14 14 LYS N N 124.40 0.25 1 130 15 15 VAL H H 9.01 0.02 1 131 15 15 VAL HA H 5.33 0.04 1 132 15 15 VAL HB H 1.73 0.04 1 133 15 15 VAL HG1 H 0.81 0.04 1 134 15 15 VAL HG2 H 0.78 0.04 1 135 15 15 VAL C C 174.70 0.25 1 136 15 15 VAL CA C 58.52 0.25 1 137 15 15 VAL CB C 33.73 0.25 1 138 15 15 VAL CG1 C 21.84 0.25 1 139 15 15 VAL CG2 C 21.52 0.25 1 140 15 15 VAL N N 124.60 0.25 1 141 16 16 ARG H H 8.97 0.02 1 142 16 16 ARG HA H 5.02 0.04 1 143 16 16 ARG HB2 H 1.86 0.04 1 144 16 16 ARG HB3 H 1.66 0.04 1 145 16 16 ARG HG2 H 1.55 0.04 1 146 16 16 ARG HG3 H 2.18 0.04 1 147 16 16 ARG HD2 H 3.07 0.04 1 148 16 16 ARG C C 174.60 0.25 1 149 16 16 ARG CA C 54.30 0.25 1 150 16 16 ARG CB C 34.36 0.25 1 151 16 16 ARG CD C 42.63 0.25 1 152 16 16 ARG N N 122.50 0.25 1 153 17 17 GLY H H 7.90 0.02 1 154 17 17 GLY HA2 H 4.45 0.04 1 155 17 17 GLY HA3 H 3.56 0.04 1 156 17 17 GLY C C 174.60 0.25 1 157 17 17 GLY CA C 44.37 0.25 1 158 17 17 GLY N N 109.50 0.25 1 159 18 18 LEU H H 8.32 0.02 1 160 18 18 LEU HA H 3.93 0.04 1 161 18 18 LEU HB2 H 1.36 0.04 1 162 18 18 LEU HB3 H 1.14 0.04 1 163 18 18 LEU HG H 1.34 0.04 1 164 18 18 LEU HD1 H 0.50 0.04 1 165 18 18 LEU HD2 H 0.52 0.04 1 166 18 18 LEU CA C 52.48 0.25 1 167 18 18 LEU CB C 40.12 0.25 1 168 18 18 LEU CG C 26.13 0.25 1 169 18 18 LEU CD1 C 22.22 0.25 1 170 18 18 LEU CD2 C 25.55 0.25 1 171 18 18 LEU N N 118.30 0.25 1 172 19 19 PRO HA H 4.25 0.04 1 173 19 19 PRO HB2 H 2.14 0.04 1 174 19 19 PRO HB3 H 1.66 0.04 1 175 19 19 PRO HG2 H 1.91 0.04 1 176 19 19 PRO HG3 H 1.81 0.04 1 177 19 19 PRO HD2 H 3.73 0.04 1 178 19 19 PRO HD3 H 3.52 0.04 1 179 19 19 PRO C C 178.10 0.25 1 180 19 19 PRO CA C 62.11 0.25 1 181 19 19 PRO CB C 31.46 0.25 1 182 19 19 PRO CG C 26.70 0.25 1 183 19 19 PRO CD C 50.46 0.25 1 184 20 20 TRP H H 8.36 0.02 1 185 20 20 TRP HA H 4.14 0.04 1 186 20 20 TRP HB2 H 3.21 0.04 1 187 20 20 TRP HB3 H 3.11 0.04 1 188 20 20 TRP HE3 H 7.35 0.04 1 189 20 20 TRP C C 177.20 0.25 1 190 20 20 TRP CA C 58.42 0.25 1 191 20 20 TRP CB C 27.65 0.25 1 192 20 20 TRP N N 123.60 0.25 1 193 21 21 SER H H 7.26 0.02 1 194 21 21 SER HA H 3.92 0.04 1 195 21 21 SER HB2 H 3.62 0.04 1 196 21 21 SER HB3 H 2.98 0.04 1 197 21 21 SER C C 174.00 0.25 1 198 21 21 SER CA C 56.76 0.25 1 199 21 21 SER CB C 62.02 0.25 1 200 21 21 SER N N 111.20 0.25 1 201 22 22 CYS H H 7.29 0.02 1 202 22 22 CYS HA H 4.22 0.04 1 203 22 22 CYS HB2 H 2.67 0.04 1 204 22 22 CYS HB3 H 2.62 0.04 1 205 22 22 CYS C C 173.30 0.25 1 206 22 22 CYS CA C 58.93 0.25 1 207 22 22 CYS CB C 26.98 0.25 1 208 22 22 CYS N N 122.00 0.25 1 209 23 23 SER H H 7.78 0.02 1 210 23 23 SER HA H 4.71 0.04 1 211 23 23 SER HB2 H 4.29 0.04 1 212 23 23 SER HB3 H 3.85 0.04 1 213 23 23 SER C C 175.90 0.25 1 214 23 23 SER CA C 55.23 0.25 1 215 23 23 SER CB C 65.91 0.25 1 216 23 23 SER N N 120.50 0.25 1 217 24 24 ALA H H 9.45 0.02 1 218 24 24 ALA HA H 4.08 0.04 1 219 24 24 ALA HB H 1.61 0.04 1 220 24 24 ALA C C 179.90 0.25 1 221 24 24 ALA CA C 55.62 0.25 1 222 24 24 ALA CB C 17.42 0.25 1 223 24 24 ALA N N 124.30 0.25 1 224 25 25 ASP H H 8.77 0.02 1 225 25 25 ASP HA H 4.39 0.04 1 226 25 25 ASP HB2 H 2.77 0.04 1 227 25 25 ASP HB3 H 2.68 0.04 1 228 25 25 ASP C C 177.80 0.25 1 229 25 25 ASP CA C 55.64 0.25 1 230 25 25 ASP CB C 37.16 0.25 1 231 25 25 ASP N N 115.90 0.25 1 232 26 26 GLU H H 7.81 0.02 1 233 26 26 GLU HA H 3.88 0.04 1 234 26 26 GLU HB2 H 2.28 0.04 1 235 26 26 GLU HB3 H 2.08 0.04 1 236 26 26 GLU HG2 H 2.41 0.04 1 237 26 26 GLU HG3 H 2.41 0.04 1 238 26 26 GLU C C 179.30 0.25 1 239 26 26 GLU CA C 58.40 0.25 1 240 26 26 GLU CB C 27.86 0.25 1 241 26 26 GLU CG C 33.24 0.25 1 242 26 26 GLU N N 120.30 0.25 1 243 27 27 VAL H H 7.70 0.02 1 244 27 27 VAL HA H 3.39 0.04 1 245 27 27 VAL HB H 2.27 0.04 1 246 27 27 VAL HG1 H 0.88 0.04 1 247 27 27 VAL HG2 H 0.84 0.04 1 248 27 27 VAL C C 177.40 0.25 1 249 27 27 VAL CA C 66.53 0.25 1 250 27 27 VAL CB C 30.80 0.25 1 251 27 27 VAL CG1 C 23.88 0.25 1 252 27 27 VAL CG2 C 21.88 0.25 1 253 27 27 VAL N N 121.10 0.25 1 254 28 28 GLN H H 8.35 0.02 1 255 28 28 GLN HA H 3.79 0.04 1 256 28 28 GLN HB2 H 2.01 0.04 1 257 28 28 GLN HB3 H 2.01 0.04 1 258 28 28 GLN HG2 H 2.26 0.04 1 259 28 28 GLN HG3 H 2.06 0.04 1 260 28 28 GLN C C 178.50 0.25 1 261 28 28 GLN CA C 59.11 0.25 1 262 28 28 GLN CB C 28.17 0.25 1 263 28 28 GLN CG C 34.50 0.25 1 264 28 28 GLN N N 119.30 0.25 1 265 29 29 ARG H H 7.80 0.02 1 266 29 29 ARG HA H 3.91 0.04 1 267 29 29 ARG HB2 H 1.76 0.04 1 268 29 29 ARG HB3 H 1.76 0.04 1 269 29 29 ARG HG2 H 1.55 0.04 1 270 29 29 ARG HG3 H 1.68 0.04 1 271 29 29 ARG HD2 H 3.06 0.04 1 272 29 29 ARG HD3 H 3.06 0.04 1 273 29 29 ARG C C 178.80 0.25 1 274 29 29 ARG CA C 57.94 0.25 1 275 29 29 ARG CB C 29.25 0.25 1 276 29 29 ARG CG C 26.91 0.25 1 277 29 29 ARG CD C 42.64 0.25 1 278 29 29 ARG N N 117.10 0.25 1 279 30 30 PHE H H 7.73 0.02 1 280 30 30 PHE HA H 4.09 0.04 1 281 30 30 PHE HB2 H 2.96 0.04 1 282 30 30 PHE HB3 H 2.80 0.04 1 283 30 30 PHE HD1 H 6.18 0.04 1 284 30 30 PHE HD2 H 6.18 0.04 1 285 30 30 PHE C C 177.30 0.25 1 286 30 30 PHE CA C 60.60 0.25 1 287 30 30 PHE CB C 38.36 0.25 1 288 30 30 PHE N N 122.40 0.25 1 289 31 31 PHE H H 7.52 0.02 1 290 31 31 PHE HA H 4.53 0.04 1 291 31 31 PHE HB2 H 2.59 0.04 1 292 31 31 PHE HB3 H 3.34 0.04 1 293 31 31 PHE HD1 H 7.19 0.04 1 294 31 31 PHE HD2 H 7.19 0.04 1 295 31 31 PHE C C 177.60 0.25 1 296 31 31 PHE CA C 55.94 0.25 1 297 31 31 PHE CB C 36.85 0.25 1 298 31 31 PHE N N 116.60 0.25 1 299 32 32 SER H H 6.87 0.02 1 300 32 32 SER HA H 3.98 0.04 1 301 32 32 SER HB2 H 3.87 0.04 1 302 32 32 SER HB3 H 4.14 0.04 1 303 32 32 SER C C 175.00 0.25 1 304 32 32 SER CA C 60.80 0.25 1 305 32 32 SER CB C 62.25 0.25 1 306 32 32 SER N N 113.40 0.25 1 307 33 33 ASP H H 7.97 0.02 1 308 33 33 ASP HA H 4.55 0.04 1 309 33 33 ASP HB2 H 3.04 0.04 1 310 33 33 ASP HB3 H 2.81 0.04 1 311 33 33 ASP C C 174.80 0.25 1 312 33 33 ASP CA C 51.91 0.25 1 313 33 33 ASP CB C 36.51 0.25 1 314 33 33 ASP N N 115.80 0.25 1 315 34 34 CYS H H 8.02 0.02 1 316 34 34 CYS HA H 4.49 0.04 1 317 34 34 CYS HB2 H 2.86 0.04 1 318 34 34 CYS HB3 H 2.31 0.04 1 319 34 34 CYS C C 173.20 0.25 1 320 34 34 CYS CA C 57.44 0.25 1 321 34 34 CYS CB C 29.37 0.25 1 322 34 34 CYS N N 117.00 0.25 1 323 35 35 LYS H H 7.78 0.02 1 324 35 35 LYS HA H 4.29 0.04 1 325 35 35 LYS HB2 H 1.53 0.04 1 326 35 35 LYS HB3 H 1.53 0.04 1 327 35 35 LYS HG2 H 1.28 0.04 1 328 35 35 LYS HG3 H 1.19 0.04 1 329 35 35 LYS C C 176.10 0.25 1 330 35 35 LYS CA C 55.02 0.25 1 331 35 35 LYS CB C 31.45 0.25 1 332 35 35 LYS CG C 24.01 0.25 1 333 35 35 LYS N N 121.90 0.25 1 334 36 36 ILE H H 8.68 0.02 1 335 36 36 ILE HA H 4.03 0.04 1 336 36 36 ILE HB H 1.52 0.04 1 337 36 36 ILE HG12 H 1.36 0.04 1 338 36 36 ILE HG2 H 0.56 0.04 1 339 36 36 ILE HD1 H 0.88 0.04 1 340 36 36 ILE C C 177.10 0.25 1 341 36 36 ILE CA C 60.31 0.25 1 342 36 36 ILE CB C 38.15 0.25 1 343 36 36 ILE CG2 C 12.80 0.25 1 344 36 36 ILE CD1 C 16.79 0.25 1 345 36 36 ILE N N 129.70 0.25 1 346 37 37 GLN H H 8.40 0.02 1 347 37 37 GLN HA H 3.86 0.04 1 348 37 37 GLN HB2 H 1.46 0.04 1 349 37 37 GLN HB3 H 1.73 0.04 1 350 37 37 GLN HG2 H 2.28 0.04 1 351 37 37 GLN HG3 H 2.06 0.04 1 352 37 37 GLN C C 175.00 0.25 1 353 37 37 GLN CA C 56.57 0.25 1 354 37 37 GLN CB C 28.56 0.25 1 355 37 37 GLN N N 131.20 0.25 1 356 38 38 ASN H H 8.71 0.02 1 357 38 38 ASN HA H 4.15 0.04 1 358 38 38 ASN HB2 H 2.84 0.04 1 359 38 38 ASN HB3 H 2.74 0.04 1 360 38 38 ASN C C 176.20 0.25 1 361 38 38 ASN CA C 53.79 0.25 1 362 38 38 ASN CB C 36.69 0.25 1 363 38 38 ASN N N 118.30 0.25 1 364 39 39 GLY H H 7.97 0.02 1 365 39 39 GLY HA2 H 3.39 0.04 1 366 39 39 GLY HA3 H 3.77 0.04 1 367 39 39 GLY C C 175.00 0.25 1 368 39 39 GLY CA C 45.95 0.25 1 369 39 39 GLY N N 108.50 0.25 1 370 40 40 ALA H H 8.73 0.02 1 371 40 40 ALA HA H 3.74 0.04 1 372 40 40 ALA HB H 1.34 0.04 1 373 40 40 ALA C C 179.50 0.25 1 374 40 40 ALA CA C 54.31 0.25 1 375 40 40 ALA CB C 17.46 0.25 1 376 40 40 ALA N N 126.90 0.25 1 377 41 41 GLN H H 7.50 0.02 1 378 41 41 GLN HA H 4.13 0.04 1 379 41 41 GLN HB2 H 2.14 0.04 1 380 41 41 GLN HB3 H 2.04 0.04 1 381 41 41 GLN HG2 H 2.39 0.04 1 382 41 41 GLN HG3 H 2.36 0.04 1 383 41 41 GLN C C 177.20 0.25 1 384 41 41 GLN CA C 56.49 0.25 1 385 41 41 GLN CB C 27.83 0.25 1 386 41 41 GLN CG C 34.24 0.25 1 387 41 41 GLN N N 112.70 0.25 1 388 42 42 GLY H H 8.06 0.02 1 389 42 42 GLY HA2 H 4.11 0.04 1 390 42 42 GLY HA3 H 4.18 0.04 1 391 42 42 GLY C C 172.20 0.25 1 392 42 42 GLY CA C 44.85 0.25 1 393 42 42 GLY N N 109.90 0.25 1 394 43 43 ILE H H 6.88 0.02 1 395 43 43 ILE HA H 4.31 0.04 1 396 43 43 ILE HB H 1.76 0.04 1 397 43 43 ILE HG12 H 1.51 0.04 1 398 43 43 ILE HG13 H 1.51 0.04 1 399 43 43 ILE HG2 H 0.80 0.04 1 400 43 43 ILE HD1 H 0.06 0.04 1 401 43 43 ILE C C 174.50 0.25 1 402 43 43 ILE CA C 59.54 0.25 1 403 43 43 ILE CB C 37.74 0.25 1 404 43 43 ILE CG1 C 27.34 0.25 1 405 43 43 ILE CG2 C 14.84 0.25 1 406 43 43 ILE CD1 C 17.15 0.25 1 407 43 43 ILE N N 119.40 0.25 1 408 44 44 ARG H H 8.96 0.02 1 409 44 44 ARG HA H 4.70 0.04 1 410 44 44 ARG HB2 H 1.71 0.04 1 411 44 44 ARG HB3 H 1.82 0.04 1 412 44 44 ARG HG2 H 1.39 0.04 1 413 44 44 ARG HG3 H 1.65 0.04 1 414 44 44 ARG HD2 H 3.12 0.04 1 415 44 44 ARG HD3 H 3.00 0.04 1 416 44 44 ARG C C 175.60 0.25 1 417 44 44 ARG CA C 51.51 0.25 1 418 44 44 ARG CB C 29.15 0.25 1 419 44 44 ARG CG C 24.98 0.25 1 420 44 44 ARG CD C 41.52 0.25 1 421 44 44 ARG N N 126.10 0.25 1 422 45 45 PHE H H 8.52 0.02 1 423 45 45 PHE HA H 4.25 0.04 1 424 45 45 PHE HB2 H 2.74 0.04 1 425 45 45 PHE HB3 H 2.57 0.04 1 426 45 45 PHE HD1 H 7.18 0.04 1 427 45 45 PHE HD2 H 7.18 0.04 1 428 45 45 PHE C C 173.90 0.25 1 429 45 45 PHE CA C 58.85 0.25 1 430 45 45 PHE CB C 38.89 0.25 1 431 45 45 PHE N N 123.40 0.25 1 432 46 46 ILE H H 7.52 0.02 1 433 46 46 ILE HA H 4.51 0.04 1 434 46 46 ILE HB H 1.72 0.04 1 435 46 46 ILE HG12 H 1.36 0.04 1 436 46 46 ILE HG13 H 1.36 0.04 1 437 46 46 ILE HG2 H 0.63 0.04 1 438 46 46 ILE HD1 H 0.83 0.04 1 439 46 46 ILE C C 176.80 0.25 1 440 46 46 ILE CA C 57.19 0.25 1 441 46 46 ILE CB C 36.49 0.25 1 442 46 46 ILE CG1 C 26.43 0.25 1 443 46 46 ILE CD1 C 16.80 0.25 1 444 46 46 ILE N N 119.20 0.25 1 445 47 47 TYR H H 9.57 0.02 1 446 47 47 TYR HA H 5.02 0.04 1 447 47 47 TYR HB2 H 2.77 0.04 1 448 47 47 TYR HB3 H 2.71 0.04 1 449 47 47 TYR HE1 H 6.77 0.04 1 450 47 47 TYR HE2 H 6.77 0.04 1 451 47 47 TYR C C 176.70 0.25 1 452 47 47 TYR CA C 56.80 0.25 1 453 47 47 TYR CB C 40.90 0.25 1 454 47 47 TYR N N 130.90 0.25 1 455 48 48 THR H H 9.26 0.02 1 456 48 48 THR HA H 4.50 0.04 1 457 48 48 THR HB H 4.72 0.04 1 458 48 48 THR HG2 H 1.13 0.04 1 459 48 48 THR C C 177.30 0.25 1 460 48 48 THR CA C 59.95 0.25 1 461 48 48 THR CB C 71.33 0.25 1 462 48 48 THR CG2 C 20.84 0.25 1 463 48 48 THR N N 111.00 0.25 1 464 49 49 ARG H H 8.98 0.02 1 465 49 49 ARG HA H 3.83 0.04 1 466 49 49 ARG HB2 H 1.74 0.04 1 467 49 49 ARG HB3 H 1.77 0.04 1 468 49 49 ARG HG2 H 1.57 0.04 1 469 49 49 ARG HG3 H 1.57 0.04 1 470 49 49 ARG HD2 H 3.09 0.04 1 471 49 49 ARG HD3 H 3.09 0.04 1 472 49 49 ARG C C 176.90 0.25 1 473 49 49 ARG CA C 57.56 0.25 1 474 49 49 ARG CB C 29.06 0.25 1 475 49 49 ARG CG C 26.78 0.25 1 476 49 49 ARG CD C 42.58 0.25 1 477 49 49 ARG N N 120.90 0.25 1 478 50 50 GLU H H 7.43 0.02 1 479 50 50 GLU HA H 4.27 0.04 1 480 50 50 GLU HB2 H 2.19 0.04 1 481 50 50 GLU HB3 H 1.72 0.04 1 482 50 50 GLU HG2 H 2.46 0.04 1 483 50 50 GLU HG3 H 2.32 0.04 1 484 50 50 GLU C C 176.20 0.25 1 485 50 50 GLU CA C 53.03 0.25 1 486 50 50 GLU CB C 27.29 0.25 1 487 50 50 GLU CG C 33.14 0.25 1 488 50 50 GLU N N 113.90 0.25 1 489 51 51 GLY H H 8.08 0.02 1 490 51 51 GLY HA2 H 4.07 0.04 1 491 51 51 GLY HA3 H 3.42 0.04 1 492 51 51 GLY C C 173.70 0.25 1 493 51 51 GLY CA C 44.91 0.25 1 494 51 51 GLY N N 107.50 0.25 1 495 52 52 ARG H H 7.17 0.02 1 496 52 52 ARG HA H 4.75 0.04 1 497 52 52 ARG HB2 H 1.66 0.04 1 498 52 52 ARG HB3 H 1.73 0.04 1 499 52 52 ARG HG2 H 1.40 0.04 1 500 52 52 ARG HG3 H 1.47 0.04 1 501 52 52 ARG HD2 H 3.84 0.04 1 502 52 52 ARG HD3 H 3.29 0.04 1 503 52 52 ARG CA C 52.39 0.25 1 504 52 52 ARG CB C 29.65 0.25 1 505 52 52 ARG N N 118.80 0.25 1 506 53 53 PRO HA H 4.41 0.04 1 507 53 53 PRO HB2 H 2.06 0.04 1 508 53 53 PRO HB3 H 1.79 0.04 1 509 53 53 PRO HD2 H 3.38 0.04 1 510 53 53 PRO HD3 H 3.57 0.04 1 511 53 53 PRO C C 176.80 0.25 1 512 53 53 PRO CA C 63.22 0.25 1 513 53 53 PRO CB C 31.55 0.25 1 514 53 53 PRO CD C 49.17 0.25 1 515 54 54 SER H H 8.41 0.02 1 516 54 54 SER HA H 4.19 0.04 1 517 54 54 SER HB2 H 3.96 0.04 1 518 54 54 SER HB3 H 3.50 0.04 1 519 54 54 SER C C 176.30 0.25 1 520 54 54 SER CA C 58.58 0.25 1 521 54 54 SER CB C 65.51 0.25 1 522 54 54 SER N N 116.80 0.25 1 523 55 55 GLY H H 8.85 0.02 1 524 55 55 GLY HA2 H 4.44 0.04 1 525 55 55 GLY HA3 H 3.70 0.04 1 526 55 55 GLY C C 171.80 0.25 1 527 55 55 GLY CA C 44.90 0.25 1 528 55 55 GLY N N 113.50 0.25 1 529 56 56 GLU H H 7.87 0.02 1 530 56 56 GLU HA H 5.64 0.04 1 531 56 56 GLU HB2 H 1.78 0.04 1 532 56 56 GLU HB3 H 1.78 0.04 1 533 56 56 GLU HG2 H 2.20 0.04 1 534 56 56 GLU HG3 H 1.92 0.04 1 535 56 56 GLU C C 175.30 0.25 1 536 56 56 GLU CA C 52.05 0.25 1 537 56 56 GLU CB C 31.62 0.25 1 538 56 56 GLU CG C 33.09 0.25 1 539 56 56 GLU N N 118.10 0.25 1 540 57 57 ALA H H 8.64 0.02 1 541 57 57 ALA HA H 4.88 0.04 1 542 57 57 ALA HB H 0.63 0.04 1 543 57 57 ALA C C 174.50 0.25 1 544 57 57 ALA CA C 50.26 0.25 1 545 57 57 ALA CB C 22.08 0.25 1 546 57 57 ALA N N 123.80 0.25 1 547 58 58 PHE H H 8.74 0.02 1 548 58 58 PHE HA H 5.21 0.04 1 549 58 58 PHE HB2 H 2.81 0.04 1 550 58 58 PHE HB3 H 2.53 0.04 1 551 58 58 PHE HD1 H 6.95 0.04 1 552 58 58 PHE HD2 H 6.95 0.04 1 553 58 58 PHE C C 174.50 0.25 1 554 58 58 PHE CA C 56.50 0.25 1 555 58 58 PHE CB C 41.84 0.25 1 556 58 58 PHE N N 117.50 0.25 1 557 59 59 VAL H H 8.88 0.02 1 558 59 59 VAL HA H 4.54 0.04 1 559 59 59 VAL HB H 1.48 0.04 1 560 59 59 VAL HG1 H 0.47 0.04 1 561 59 59 VAL HG2 H 0.34 0.04 1 562 59 59 VAL C C 174.40 0.25 1 563 59 59 VAL CA C 60.41 0.25 1 564 59 59 VAL CB C 33.28 0.25 1 565 59 59 VAL CG1 C 20.35 0.25 1 566 59 59 VAL CG2 C 21.12 0.25 1 567 59 59 VAL N N 121.10 0.25 1 568 60 60 GLU H H 8.65 0.02 1 569 60 60 GLU HA H 4.42 0.04 1 570 60 60 GLU HB2 H 2.09 0.04 1 571 60 60 GLU HB3 H 2.01 0.04 1 572 60 60 GLU HG2 H 2.20 0.04 1 573 60 60 GLU HG3 H 2.29 0.04 1 574 60 60 GLU C C 174.60 0.25 1 575 60 60 GLU CA C 55.01 0.25 1 576 60 60 GLU CB C 28.60 0.25 1 577 60 60 GLU CG C 32.59 0.25 1 578 60 60 GLU N N 126.00 0.25 1 579 61 61 LEU H H 8.86 0.02 1 580 61 61 LEU HA H 4.77 0.04 1 581 61 61 LEU HB2 H 1.44 0.04 1 582 61 61 LEU HB3 H 1.44 0.04 1 583 61 61 LEU HG H 1.44 0.04 1 584 61 61 LEU HD1 H 0.43 0.04 1 585 61 61 LEU HD2 H 0.46 0.04 1 586 61 61 LEU C C 177.00 0.25 1 587 61 61 LEU CA C 52.44 0.25 1 588 61 61 LEU CB C 43.01 0.25 1 589 61 61 LEU CG C 26.15 0.25 1 590 61 61 LEU CD1 C 23.36 0.25 1 591 61 61 LEU CD2 C 26.66 0.25 1 592 61 61 LEU N N 123.90 0.25 1 593 62 62 GLU H H 7.28 0.02 1 594 62 62 GLU HA H 4.45 0.04 1 595 62 62 GLU HB2 H 2.13 0.04 1 596 62 62 GLU HB3 H 1.71 0.04 1 597 62 62 GLU HG2 H 2.28 0.04 1 598 62 62 GLU C C 175.50 0.25 1 599 62 62 GLU CA C 56.53 0.25 1 600 62 62 GLU CB C 29.08 0.25 1 601 62 62 GLU N N 112.70 0.25 1 602 63 63 SER H H 6.93 0.02 1 603 63 63 SER HA H 4.23 0.04 1 604 63 63 SER HB2 H 3.64 0.04 1 605 63 63 SER HB3 H 3.50 0.04 1 606 63 63 SER C C 173.40 0.25 1 607 63 63 SER CA C 55.77 0.25 1 608 63 63 SER CB C 65.09 0.25 1 609 63 63 SER N N 109.10 0.25 1 610 64 64 GLU H H 8.30 0.02 1 611 64 64 GLU HA H 3.75 0.04 1 612 64 64 GLU HB2 H 2.04 0.04 1 613 64 64 GLU HB3 H 1.74 0.04 1 614 64 64 GLU HG2 H 2.54 0.04 1 615 64 64 GLU HG3 H 2.54 0.04 1 616 64 64 GLU C C 178.50 0.25 1 617 64 64 GLU CA C 57.15 0.25 1 618 64 64 GLU CB C 26.65 0.25 1 619 64 64 GLU CG C 31.96 0.25 1 620 64 64 GLU N N 122.10 0.25 1 621 65 65 ASP H H 8.41 0.02 1 622 65 65 ASP HA H 4.20 0.04 1 623 65 65 ASP HB2 H 2.63 0.04 1 624 65 65 ASP HB3 H 2.63 0.04 1 625 65 65 ASP C C 178.10 0.25 1 626 65 65 ASP CA C 55.46 0.25 1 627 65 65 ASP CB C 36.56 0.25 1 628 65 65 ASP N N 118.60 0.25 1 629 66 66 GLU H H 7.52 0.02 1 630 66 66 GLU HA H 3.89 0.04 1 631 66 66 GLU HB2 H 2.09 0.04 1 632 66 66 GLU HB3 H 2.09 0.04 1 633 66 66 GLU HG2 H 2.65 0.04 1 634 66 66 GLU HG3 H 2.44 0.04 1 635 66 66 GLU C C 177.30 0.25 1 636 66 66 GLU CA C 58.27 0.25 1 637 66 66 GLU CB C 28.74 0.25 1 638 66 66 GLU CG C 33.44 0.25 1 639 66 66 GLU N N 117.30 0.25 1 640 67 67 VAL H H 7.33 0.02 1 641 67 67 VAL HA H 3.16 0.04 1 642 67 67 VAL HB H 2.36 0.04 1 643 67 67 VAL HG1 H 0.98 0.04 1 644 67 67 VAL HG2 H 0.80 0.04 1 645 67 67 VAL C C 177.10 0.25 1 646 67 67 VAL CA C 66.47 0.25 1 647 67 67 VAL CB C 30.58 0.25 1 648 67 67 VAL CG1 C 23.08 0.25 1 649 67 67 VAL CG2 C 20.19 0.25 1 650 67 67 VAL N N 120.80 0.25 1 651 68 68 LYS H H 7.58 0.02 1 652 68 68 LYS HA H 3.73 0.04 1 653 68 68 LYS HB2 H 1.73 0.04 1 654 68 68 LYS HB3 H 1.79 0.04 1 655 68 68 LYS HG2 H 1.51 0.04 1 656 68 68 LYS HG3 H 1.28 0.04 1 657 68 68 LYS C C 179.60 0.25 1 658 68 68 LYS CA C 59.61 0.25 1 659 68 68 LYS CB C 31.47 0.25 1 660 68 68 LYS CG C 25.00 0.25 1 661 68 68 LYS N N 116.50 0.25 1 662 69 69 LEU H H 7.27 0.02 1 663 69 69 LEU HA H 3.85 0.04 1 664 69 69 LEU HB2 H 1.26 0.04 1 665 69 69 LEU HB3 H 1.70 0.04 1 666 69 69 LEU HD1 H 0.70 0.04 1 667 69 69 LEU HD2 H 0.69 0.04 1 668 69 69 LEU C C 180.20 0.25 1 669 69 69 LEU CA C 57.15 0.25 1 670 69 69 LEU CB C 41.35 0.25 1 671 69 69 LEU CD1 C 24.28 0.25 1 672 69 69 LEU CD2 C 22.64 0.25 1 673 69 69 LEU N N 118.30 0.25 1 674 70 70 ALA H H 8.36 0.02 1 675 70 70 ALA HA H 3.94 0.04 1 676 70 70 ALA HB H 1.18 0.04 1 677 70 70 ALA C C 180.20 0.25 1 678 70 70 ALA CA C 54.58 0.25 1 679 70 70 ALA CB C 18.02 0.25 1 680 70 70 ALA N N 124.30 0.25 1 681 71 71 LEU H H 8.16 0.02 1 682 71 71 LEU HA H 3.70 0.04 1 683 71 71 LEU HB2 H 1.41 0.04 1 684 71 71 LEU HB3 H 1.74 0.04 1 685 71 71 LEU HG H 1.73 0.04 1 686 71 71 LEU HD1 H 0.75 0.04 1 687 71 71 LEU HD2 H 0.65 0.04 1 688 71 71 LEU C C 180.20 0.25 1 689 71 71 LEU CA C 56.91 0.25 1 690 71 71 LEU CB C 40.79 0.25 1 691 71 71 LEU CD1 C 25.56 0.25 1 692 71 71 LEU CD2 C 22.14 0.25 1 693 71 71 LEU N N 116.30 0.25 1 694 72 72 LYS H H 7.27 0.02 1 695 72 72 LYS HA H 4.04 0.04 1 696 72 72 LYS HB2 H 1.76 0.04 1 697 72 72 LYS HB3 H 1.88 0.04 1 698 72 72 LYS HG2 H 1.66 0.04 1 699 72 72 LYS HG3 H 1.43 0.04 1 700 72 72 LYS HD2 H 1.52 0.04 1 701 72 72 LYS HD3 H 1.52 0.04 1 702 72 72 LYS C C 177.50 0.25 1 703 72 72 LYS CA C 57.89 0.25 1 704 72 72 LYS CB C 32.02 0.25 1 705 72 72 LYS CG C 24.88 0.25 1 706 72 72 LYS N N 118.20 0.25 1 707 73 73 LYS H H 7.52 0.02 1 708 73 73 LYS HA H 3.95 0.04 1 709 73 73 LYS HB2 H 1.58 0.04 1 710 73 73 LYS HB3 H 1.81 0.04 1 711 73 73 LYS HG2 H 1.02 0.04 1 712 73 73 LYS HG3 H 1.16 0.04 1 713 73 73 LYS HD2 H 0.91 0.04 1 714 73 73 LYS HD3 H 1.02 0.04 1 715 73 73 LYS C C 175.40 0.25 1 716 73 73 LYS CA C 54.47 0.25 1 717 73 73 LYS CB C 30.18 0.25 1 718 73 73 LYS CG C 23.95 0.25 1 719 73 73 LYS CD C 26.54 0.25 1 720 73 73 LYS N N 116.40 0.25 1 721 74 74 ASP H H 7.26 0.02 1 722 74 74 ASP HA H 4.15 0.04 1 723 74 74 ASP HB2 H 2.96 0.04 1 724 74 74 ASP HB3 H 2.74 0.04 1 725 74 74 ASP C C 175.50 0.25 1 726 74 74 ASP CA C 55.42 0.25 1 727 74 74 ASP CB C 36.67 0.25 1 728 74 74 ASP N N 114.90 0.25 1 729 75 75 ARG H H 9.13 0.02 1 730 75 75 ARG HA H 3.56 0.04 1 731 75 75 ARG HB2 H 1.97 0.04 1 732 75 75 ARG HB3 H 1.96 0.04 1 733 75 75 ARG HG2 H 1.41 0.04 1 734 75 75 ARG HG3 H 1.32 0.04 1 735 75 75 ARG HD2 H 2.97 0.04 1 736 75 75 ARG HD3 H 2.97 0.04 1 737 75 75 ARG C C 175.80 0.25 1 738 75 75 ARG CA C 58.22 0.25 1 739 75 75 ARG CB C 26.21 0.25 1 740 75 75 ARG CG C 27.81 0.25 1 741 75 75 ARG CD C 42.22 0.25 1 742 75 75 ARG N N 120.50 0.25 1 743 76 76 GLU H H 7.78 0.02 1 744 76 76 GLU HA H 4.54 0.04 1 745 76 76 GLU HB2 H 2.21 0.04 1 746 76 76 GLU HB3 H 2.08 0.04 1 747 76 76 GLU HG2 H 2.36 0.04 1 748 76 76 GLU HG3 H 2.36 0.04 1 749 76 76 GLU C C 175.20 0.25 1 750 76 76 GLU CA C 55.48 0.25 1 751 76 76 GLU CB C 27.90 0.25 1 752 76 76 GLU CG C 33.24 0.25 1 753 76 76 GLU N N 117.40 0.25 1 754 77 77 THR H H 7.86 0.02 1 755 77 77 THR HA H 4.87 0.04 1 756 77 77 THR HB H 3.57 0.04 1 757 77 77 THR HG2 H 0.48 0.04 1 758 77 77 THR C C 175.10 0.25 1 759 77 77 THR CA C 59.90 0.25 1 760 77 77 THR CB C 70.63 0.25 1 761 77 77 THR CG2 C 20.72 0.25 1 762 77 77 THR N N 109.00 0.25 1 763 78 78 MET H H 8.44 0.02 1 764 78 78 MET HA H 4.24 0.04 1 765 78 78 MET HB2 H 1.46 0.04 1 766 78 78 MET HB3 H 1.30 0.04 1 767 78 78 MET HG2 H 2.13 0.04 1 768 78 78 MET HG3 H 1.89 0.04 1 769 78 78 MET C C 176.30 0.25 1 770 78 78 MET CA C 54.86 0.25 1 771 78 78 MET CB C 34.99 0.25 1 772 78 78 MET CG C 30.96 0.25 1 773 78 78 MET N N 122.80 0.25 1 774 79 79 GLY H H 8.86 0.02 1 775 79 79 GLY HA2 H 3.64 0.04 1 776 79 79 GLY HA3 H 3.47 0.04 1 777 79 79 GLY C C 174.70 0.25 1 778 79 79 GLY CA C 46.62 0.25 1 779 79 79 GLY N N 117.10 0.25 1 780 80 80 HIS H H 8.74 0.02 1 781 80 80 HIS HA H 4.23 0.04 1 782 80 80 HIS HB2 H 3.31 0.04 1 783 80 80 HIS HB3 H 3.13 0.04 1 784 80 80 HIS C C 173.50 0.25 1 785 80 80 HIS CA C 55.48 0.25 1 786 80 80 HIS CB C 27.26 0.25 1 787 80 80 HIS N N 117.50 0.25 1 788 81 81 ARG H H 7.54 0.02 1 789 81 81 ARG HA H 4.37 0.04 1 790 81 81 ARG HB2 H 1.85 0.04 1 791 81 81 ARG HB3 H 1.74 0.04 1 792 81 81 ARG HG2 H 1.48 0.04 1 793 81 81 ARG HG3 H 1.40 0.04 1 794 81 81 ARG HD2 H 3.00 0.04 1 795 81 81 ARG HD3 H 3.00 0.04 1 796 81 81 ARG C C 174.90 0.25 1 797 81 81 ARG CA C 54.44 0.25 1 798 81 81 ARG CB C 31.26 0.25 1 799 81 81 ARG CG C 26.28 0.25 1 800 81 81 ARG CD C 42.06 0.25 1 801 81 81 ARG N N 119.30 0.25 1 802 82 82 TYR H H 8.22 0.02 1 803 82 82 TYR HA H 4.25 0.04 1 804 82 82 TYR HB2 H 2.71 0.04 1 805 82 82 TYR HB3 H 2.54 0.04 1 806 82 82 TYR HE1 H 6.95 0.04 1 807 82 82 TYR HE2 H 6.95 0.04 1 808 82 82 TYR C C 175.20 0.25 1 809 82 82 TYR CA C 58.19 0.25 1 810 82 82 TYR CB C 38.39 0.25 1 811 82 82 TYR N N 120.50 0.25 1 812 83 83 VAL H H 8.34 0.02 1 813 83 83 VAL HA H 4.30 0.04 1 814 83 83 VAL HB H 1.71 0.04 1 815 83 83 VAL HG1 H 0.31 0.04 1 816 83 83 VAL HG2 H 0.31 0.04 1 817 83 83 VAL C C 175.70 0.25 1 818 83 83 VAL CA C 60.81 0.25 1 819 83 83 VAL CB C 32.45 0.25 1 820 83 83 VAL CG1 C 20.94 0.25 1 821 83 83 VAL CG2 C 20.94 0.25 1 822 83 83 VAL N N 123.60 0.25 1 823 84 84 GLU H H 8.44 0.02 1 824 84 84 GLU HA H 4.70 0.04 1 825 84 84 GLU HB2 H 1.73 0.04 1 826 84 84 GLU HB3 H 1.75 0.04 1 827 84 84 GLU HG2 H 2.25 0.04 1 828 84 84 GLU HG3 H 2.26 0.04 1 829 84 84 GLU C C 174.40 0.25 1 830 84 84 GLU CA C 53.71 0.25 1 831 84 84 GLU CB C 31.44 0.25 1 832 84 84 GLU CG C 33.03 0.25 1 833 84 84 GLU N N 122.80 0.25 1 834 85 85 VAL H H 7.50 0.02 1 835 85 85 VAL HA H 4.69 0.04 1 836 85 85 VAL HB H 1.59 0.04 1 837 85 85 VAL HG1 H 0.94 0.04 1 838 85 85 VAL HG2 H 0.81 0.04 1 839 85 85 VAL C C 173.40 0.25 1 840 85 85 VAL CA C 60.22 0.25 1 841 85 85 VAL CB C 34.74 0.25 1 842 85 85 VAL CG1 C 20.28 0.25 1 843 85 85 VAL CG2 C 20.98 0.25 1 844 85 85 VAL N N 119.70 0.25 1 845 86 86 PHE H H 9.17 0.02 1 846 86 86 PHE HA H 4.77 0.04 1 847 86 86 PHE HB2 H 3.20 0.04 1 848 86 86 PHE HB3 H 2.55 0.04 1 849 86 86 PHE HD1 H 7.02 0.04 1 850 86 86 PHE HD2 H 7.02 0.04 1 851 86 86 PHE C C 175.70 0.25 1 852 86 86 PHE CA C 54.68 0.25 1 853 86 86 PHE CB C 42.45 0.25 1 854 86 86 PHE N N 122.30 0.25 1 855 87 87 LYS H H 9.13 0.02 1 856 87 87 LYS HA H 4.04 0.04 1 857 87 87 LYS HB2 H 1.88 0.04 1 858 87 87 LYS HB3 H 1.77 0.04 1 859 87 87 LYS HG2 H 1.56 0.04 1 860 87 87 LYS HG3 H 1.56 0.04 1 861 87 87 LYS C C 176.00 0.25 1 862 87 87 LYS CA C 57.88 0.25 1 863 87 87 LYS CB C 31.92 0.25 1 864 87 87 LYS CG C 28.83 0.25 1 865 87 87 LYS N N 123.50 0.25 1 866 88 88 SER H H 8.22 0.02 1 867 88 88 SER HA H 4.62 0.04 1 868 88 88 SER HB2 H 3.74 0.04 1 869 88 88 SER HB3 H 3.25 0.04 1 870 88 88 SER C C 174.20 0.25 1 871 88 88 SER CA C 55.04 0.25 1 872 88 88 SER CB C 64.19 0.25 1 873 88 88 SER N N 120.60 0.25 1 874 89 89 ASN H H 9.15 0.02 1 875 89 89 ASN HA H 4.44 0.04 1 876 89 89 ASN HB2 H 3.23 0.04 1 877 89 89 ASN HB3 H 2.98 0.04 1 878 89 89 ASN C C 174.20 0.25 1 879 89 89 ASN CA C 52.58 0.25 1 880 89 89 ASN CB C 38.74 0.25 1 881 89 89 ASN N N 115.30 0.25 1 882 90 90 ASN H H 8.81 0.02 1 883 90 90 ASN HA H 4.16 0.04 1 884 90 90 ASN HB2 H 2.74 0.04 1 885 90 90 ASN HB3 H 2.55 0.04 1 886 90 90 ASN C C 176.50 0.25 1 887 90 90 ASN CA C 55.87 0.25 1 888 90 90 ASN CB C 37.37 0.25 1 889 90 90 ASN N N 116.80 0.25 1 890 91 91 VAL H H 7.69 0.02 1 891 91 91 VAL HA H 3.56 0.04 1 892 91 91 VAL HB H 1.94 0.04 1 893 91 91 VAL HG1 H 0.86 0.04 1 894 91 91 VAL HG2 H 0.79 0.04 1 895 91 91 VAL C C 179.20 0.25 1 896 91 91 VAL CA C 65.81 0.25 1 897 91 91 VAL CB C 31.05 0.25 1 898 91 91 VAL CG1 C 21.79 0.25 1 899 91 91 VAL CG2 C 20.22 0.25 1 900 91 91 VAL N N 121.10 0.25 1 901 92 92 GLU H H 8.29 0.02 1 902 92 92 GLU HA H 4.03 0.04 1 903 92 92 GLU HB2 H 1.87 0.04 1 904 92 92 GLU HB3 H 1.93 0.04 1 905 92 92 GLU HG2 H 2.38 0.04 1 906 92 92 GLU HG3 H 2.38 0.04 1 907 92 92 GLU C C 177.70 0.25 1 908 92 92 GLU CA C 57.94 0.25 1 909 92 92 GLU CB C 27.85 0.25 1 910 92 92 GLU N N 121.10 0.25 1 911 93 93 MET H H 7.59 0.02 1 912 93 93 MET HA H 3.86 0.04 1 913 93 93 MET HB2 H 2.04 0.04 1 914 93 93 MET HB3 H 2.09 0.04 1 915 93 93 MET HG2 H 1.78 0.04 1 916 93 93 MET HG3 H 1.46 0.04 1 917 93 93 MET C C 176.80 0.25 1 918 93 93 MET CA C 58.20 0.25 1 919 93 93 MET CB C 32.67 0.25 1 920 93 93 MET CG C 28.54 0.25 1 921 93 93 MET N N 117.30 0.25 1 922 94 94 ASP H H 8.25 0.02 1 923 94 94 ASP HA H 4.15 0.04 1 924 94 94 ASP HB2 H 2.86 0.04 1 925 94 94 ASP HB3 H 2.71 0.04 1 926 94 94 ASP C C 177.50 0.25 1 927 94 94 ASP CA C 55.47 0.25 1 928 94 94 ASP CB C 36.50 0.25 1 929 94 94 ASP N N 115.60 0.25 1 930 95 95 TRP H H 8.06 0.02 1 931 95 95 TRP HA H 4.10 0.04 1 932 95 95 TRP HB2 H 3.32 0.04 1 933 95 95 TRP HB3 H 3.30 0.04 1 934 95 95 TRP HE3 H 7.35 0.04 1 935 95 95 TRP C C 180.20 0.25 1 936 95 95 TRP CA C 61.43 0.25 1 937 95 95 TRP CB C 28.50 0.25 1 938 95 95 TRP N N 121.00 0.25 1 939 96 96 VAL H H 8.59 0.02 1 940 96 96 VAL HA H 3.56 0.04 1 941 96 96 VAL HB H 2.12 0.04 1 942 96 96 VAL HG1 H 1.35 0.04 1 943 96 96 VAL HG2 H 1.05 0.04 1 944 96 96 VAL C C 180.10 0.25 1 945 96 96 VAL CA C 66.68 0.25 1 946 96 96 VAL CB C 31.05 0.25 1 947 96 96 VAL CG1 C 23.39 0.25 1 948 96 96 VAL CG2 C 21.68 0.25 1 949 96 96 VAL N N 121.60 0.25 1 950 97 97 LEU H H 8.39 0.02 1 951 97 97 LEU HA H 3.83 0.04 1 952 97 97 LEU HB2 H 1.25 0.04 1 953 97 97 LEU HB3 H 1.70 0.04 1 954 97 97 LEU HG H 1.59 0.04 1 955 97 97 LEU HD1 H 0.78 0.04 1 956 97 97 LEU HD2 H 0.67 0.04 1 957 97 97 LEU C C 178.80 0.25 1 958 97 97 LEU CA C 57.84 0.25 1 959 97 97 LEU CB C 41.38 0.25 1 960 97 97 LEU CG C 26.59 0.25 1 961 97 97 LEU CD1 C 22.51 0.25 1 962 97 97 LEU CD2 C 22.49 0.25 1 963 97 97 LEU N N 120.20 0.25 1 964 98 98 LYS H H 7.30 0.02 1 965 98 98 LYS HA H 3.99 0.04 1 966 98 98 LYS HB2 H 1.52 0.04 1 967 98 98 LYS HB3 H 1.35 0.04 1 968 98 98 LYS HG2 H 1.04 0.04 1 969 98 98 LYS HG3 H 1.16 0.04 1 970 98 98 LYS HD2 H 1.38 0.04 1 971 98 98 LYS HD3 H 1.40 0.04 1 972 98 98 LYS HE2 H 2.72 0.04 1 973 98 98 LYS HE3 H 2.72 0.04 1 974 98 98 LYS C C 176.70 0.25 1 975 98 98 LYS CA C 56.26 0.25 1 976 98 98 LYS CB C 32.09 0.25 1 977 98 98 LYS CG C 24.39 0.25 1 978 98 98 LYS CD C 27.89 0.25 1 979 98 98 LYS CE C 41.26 0.25 1 980 98 98 LYS N N 115.30 0.25 1 981 99 99 HIS H H 7.45 0.02 1 982 99 99 HIS HA H 4.40 0.04 1 983 99 99 HIS HB2 H 3.20 0.04 1 984 99 99 HIS HB3 H 2.02 0.04 1 985 99 99 HIS C C 173.20 0.25 1 986 99 99 HIS CA C 56.00 0.25 1 987 99 99 HIS CB C 27.85 0.25 1 988 99 99 HIS N N 114.80 0.25 1 989 100 100 THR H H 7.25 0.02 1 990 100 100 THR HA H 4.64 0.04 1 991 100 100 THR HB H 4.42 0.04 1 992 100 100 THR HG2 H 1.18 0.04 1 993 100 100 THR C C 174.30 0.25 1 994 100 100 THR CA C 60.17 0.25 1 995 100 100 THR CB C 71.37 0.25 1 996 100 100 THR CG2 C 21.70 0.25 1 997 100 100 THR N N 110.70 0.25 1 998 101 101 GLY H H 7.90 0.02 1 999 101 101 GLY HA2 H 4.21 0.04 1 1000 101 101 GLY HA3 H 3.68 0.04 1 1001 101 101 GLY C C 172.96 0.25 1 1002 101 101 GLY CA C 44.38 0.25 1 1003 101 101 GLY N N 106.90 0.25 1 1004 102 102 PRO HA H 4.06 0.04 1 1005 102 102 PRO HB2 H 2.11 0.04 1 1006 102 102 PRO HB3 H 1.72 0.04 1 1007 102 102 PRO C C 174.60 0.25 1 1008 102 102 PRO CA C 63.41 0.25 1 1009 102 102 PRO CB C 31.53 0.25 1 1010 103 103 ASN H H 8.41 0.02 1 1011 103 103 ASN HA H 4.58 0.04 1 1012 103 103 ASN HB2 H 2.73 0.04 1 1013 103 103 ASN HB3 H 2.55 0.04 1 1014 103 103 ASN C C 174.70 0.25 1 1015 103 103 ASN CA C 52.49 0.25 1 1016 103 103 ASN CB C 37.87 0.25 1 1017 103 103 ASN N N 116.90 0.25 1 1018 104 104 SER H H 7.70 0.02 1 1019 104 104 SER C C 176.30 0.25 1 1020 104 104 SER CA C 57.98 0.25 1 1021 104 104 SER CB C 63.88 0.25 1 1022 104 104 SER N N 116.70 0.25 1 stop_ save_