data_18776 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, 15N backbone NMR resonance assignments for N-terminal RNA recognition motif of HvRBP1 from Hordeum vulgare L. (barley) ; _BMRB_accession_number 18776 _BMRB_flat_file_name bmr18776.str _Entry_type original _Submission_date 2012-10-10 _Accession_date 2012-10-10 _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 Mason Katelyn E. . 2 Tripet Brian P. . 3 Fischer Andreas M. . 4 Copie Valerie . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 394 "13C chemical shifts" 248 "15N chemical shifts" 91 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-17 update BMRB 'update entry citation' 2013-01-22 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '(1)H, (13)C, (15)N backbone and side chain NMR resonance assignments for the N-terminal RNA recognition motif of the HvGR-RBP1 protein involved in the regulation of barley (Hordeum vulgare L.) senescence.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23417794 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mason Katelyn E. . 2 Tripet Brian P. . 3 Parrott David . . 4 Fischer Andreas M. . 5 Copie Valerie . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2013 _Details . loop_ _Keyword Barley 'glycine-rich RNA-Binding Protein' 'Hordeum vulgare L.' 'RNA Recognition Motif' Senescence stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Hordeum vulgare glycine rich- RNA binding protein 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Hordeum vulgare glycine rich- RNA binding protein 1' $RBP1 stop_ _System_molecular_weight 9981 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details monomer save_ ######################## # Monomeric polymers # ######################## save_RBP1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RBP1 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 92 _Mol_residue_sequence ; MAESDGAEYRCFVGSLSWNT DDRGLEAAFSSFGEILDAKI INDRETGRSRGFGFVSFSNE QAMQDAIEGMNGKELDGRSI VVNEAQSRGYGG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 ALA 3 3 GLU 4 4 SER 5 5 ASP 6 6 GLY 7 7 ALA 8 8 GLU 9 9 TYR 10 10 ARG 11 11 CYS 12 12 PHE 13 13 VAL 14 14 GLY 15 15 SER 16 16 LEU 17 17 SER 18 18 TRP 19 19 ASN 20 20 THR 21 21 ASP 22 22 ASP 23 23 ARG 24 24 GLY 25 25 LEU 26 26 GLU 27 27 ALA 28 28 ALA 29 29 PHE 30 30 SER 31 31 SER 32 32 PHE 33 33 GLY 34 34 GLU 35 35 ILE 36 36 LEU 37 37 ASP 38 38 ALA 39 39 LYS 40 40 ILE 41 41 ILE 42 42 ASN 43 43 ASP 44 44 ARG 45 45 GLU 46 46 THR 47 47 GLY 48 48 ARG 49 49 SER 50 50 ARG 51 51 GLY 52 52 PHE 53 53 GLY 54 54 PHE 55 55 VAL 56 56 SER 57 57 PHE 58 58 SER 59 59 ASN 60 60 GLU 61 61 GLN 62 62 ALA 63 63 MET 64 64 GLN 65 65 ASP 66 66 ALA 67 67 ILE 68 68 GLU 69 69 GLY 70 70 MET 71 71 ASN 72 72 GLY 73 73 LYS 74 74 GLU 75 75 LEU 76 76 ASP 77 77 GLY 78 78 ARG 79 79 SER 80 80 ILE 81 81 VAL 82 82 VAL 83 83 ASN 84 84 GLU 85 85 ALA 86 86 GLN 87 87 SER 88 88 ARG 89 89 GLY 90 90 TYR 91 91 GLY 92 92 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-05 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 2MPU "Structural And Functional Analysis Of The Hordeum Vulgare L. Hvgr-rbp1 Protein, A Glycine-rich Rna Binding Protein Implicated I" 100.00 92 100.00 100.00 8.55e-58 GB AFP52931 "RBP1 [Hordeum vulgare]" 100.00 162 100.00 100.00 1.39e-57 GB EMT31367 "Glycine-rich RNA-binding protein GRP1A [Aegilops tauschii]" 100.00 146 97.83 98.91 7.52e-56 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $RBP1 barley 4513 Eukaryota Viridiplantae Hordeum 'Hordeum vulgare L.' rbp1 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 $RBP1 'recombinant technology' . Escherichia coli . 'pET46 ek/LIC' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N_13C_HvGR-RBP1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RBP1 15 mM '[U-99% 13C; U-99% 15N]' 'sodium azide' 0.01 % 'natural abundance' 'potassium phosphate' 50 mM 'natural abundance' D2O 5 % 'natural abundance' EDTA 1 mM 'natural abundance' 'sodium chloride' 500 mM 'natural abundance' PMSF 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker BioSpin' ; 15 Fortune Drive Billerica, MA 01821-3991 ; . stop_ loop_ _Task collection stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.114 loop_ _Vendor _Address _Electronic_address Goddard ; 111 Franklin Street, 12Floor Oakland, CA 94607 ; . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' ; Software Science Consultant 13840 Grey Colt Drive North Potomac MD 20878 USA ; . stop_ loop_ _Task 'chemical shift indexing' 'Spectrum processing' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _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 $15N_13C_HvGR-RBP1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $15N_13C_HvGR-RBP1 save_ save_3D_HCCH-TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $15N_13C_HvGR-RBP1 save_ save_3D_H(CCO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $15N_13C_HvGR-RBP1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $15N_13C_HvGR-RBP1 save_ save_3D_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $15N_13C_HvGR-RBP1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $15N_13C_HvGR-RBP1 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $15N_13C_HvGR-RBP1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $15N_13C_HvGR-RBP1 save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $15N_13C_HvGR-RBP1 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_15N_13C_HvGr_RBP1_conditions_1 _Saveframe_category sample_conditions _Details '500 mM NaCl, 50 mM NaPO4, pH 6.5, 5% D20, 0.1 M PMSF, 0.01% Na Azide' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 1 . M pH 6.5 . pH pressure 1 . atm temperature 298 . 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 carbons' ppm 0.0 external indirect . . . 0.101329118 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.000000000 DSS N 15 'methyl carbons' ppm 0.0 external indirect . . . 0.251449530 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 '2D 1H-15N HSQC' '3D HCCH-TOCSY' '3D H(CCO)NH' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCACB' '3D HBHA(CO)NH' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $15N_13C_HvGR-RBP1 stop_ _Sample_conditions_label $15N_13C_HvGr_RBP1_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Hordeum vulgare glycine rich- RNA binding protein 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 H H 8.293 0.029 1 2 1 1 MET HA H 4.418 0.012 1 3 1 1 MET HB2 H 2.595 0.024 2 4 1 1 MET HB3 H 2.08 0.045 2 5 1 1 MET CA C 56.075 0.049 1 6 1 1 MET CB C 33.006 0.015 1 7 1 1 MET CG C 30.53 0.001 1 8 1 1 MET N N 120.563 0.45 1 9 2 2 ALA H H 8.209 0.032 1 10 2 2 ALA HA H 4.325 0.041 1 11 2 2 ALA HB H 1.387 0.007 1 12 2 2 ALA CA C 52.915 0.034 1 13 2 2 ALA CB C 19.648 0.099 1 14 2 2 ALA N N 125.058 0.025 1 15 3 3 GLU H H 8.347 0.022 1 16 3 3 GLU HA H 4.279 0.02 1 17 3 3 GLU HB2 H 2.04 0.041 2 18 3 3 GLU HB3 H 1.951 0.013 2 19 3 3 GLU HG2 H 2.289 0.011 2 20 3 3 GLU HG3 H 2.722 0.045 2 21 3 3 GLU CA C 57.012 0.046 1 22 3 3 GLU CB C 30.625 0.096 1 23 3 3 GLU CG C 36.742 0.04 1 24 3 3 GLU N N 119.828 0.148 1 25 4 4 SER H H 8.269 0.011 1 26 4 4 SER HA H 4.476 0.012 1 27 4 4 SER HB2 H 3.883 0.004 2 28 4 4 SER CA C 58.659 0.048 1 29 4 4 SER CB C 64.442 0.097 1 30 4 4 SER N N 116.523 0.031 1 31 5 5 ASP H H 8.388 0.031 1 32 5 5 ASP HA H 4.652 0.043 1 33 5 5 ASP HB2 H 2.701 0.024 2 34 5 5 ASP HB3 H 2.673 0.036 2 35 5 5 ASP CA C 54.882 0.062 1 36 5 5 ASP CB C 41.8 0.101 1 37 5 5 ASP N N 123.202 0.052 1 38 6 6 GLY H H 8.306 0.009 1 39 6 6 GLY HA2 H 3.917 0.009 2 40 6 6 GLY CA C 45.66 0.066 1 41 6 6 GLY N N 109.503 0.038 1 42 7 7 ALA H H 8.005 0.01 1 43 7 7 ALA HA H 4.294 0.039 1 44 7 7 ALA HB H 1.416 0.007 1 45 7 7 ALA CA C 52.479 0.08 1 46 7 7 ALA CB C 19.939 0.061 1 47 7 7 ALA N N 123.978 0.034 1 48 8 8 GLU H H 7.824 0.014 1 49 8 8 GLU HA H 4.271 0.03 1 50 8 8 GLU HB2 H 1.7 0.041 2 51 8 8 GLU HG2 H 2.022 0.035 2 52 8 8 GLU CA C 56.082 0.027 1 53 8 8 GLU CB C 32.359 0.018 1 54 8 8 GLU CG C 36.699 0.002 1 55 8 8 GLU N N 118.596 0.069 1 56 9 9 TYR H H 8.724 0.018 1 57 9 9 TYR HA H 4.838 0.014 1 58 9 9 TYR HB2 H 3.254 0.009 2 59 9 9 TYR HB3 H 2.867 0.038 2 60 9 9 TYR HD1 H 6.956 0.038 3 61 9 9 TYR HE1 H 6.949 0.038 3 62 9 9 TYR CA C 57.559 0.038 1 63 9 9 TYR CB C 38.143 0.024 1 64 9 9 TYR CD1 C 130.492 0 1 65 9 9 TYR CE1 C 117.506 0 1 66 9 9 TYR N N 124.224 0.006 1 67 10 10 ARG H H 8.487 0.021 1 68 10 10 ARG HA H 5.413 0.015 1 69 10 10 ARG HB2 H 1.725 0.033 2 70 10 10 ARG HB3 H 1.74 0.045 2 71 10 10 ARG HG2 H 1.536 0.024 2 72 10 10 ARG HG3 H 1.489 0.009 2 73 10 10 ARG HD2 H 2.847 0.017 2 74 10 10 ARG CA C 55.543 0.047 1 75 10 10 ARG CB C 34.588 0.021 1 76 10 10 ARG CG C 27.919 0.002 1 77 10 10 ARG CD C 44.115 0.45 1 78 10 10 ARG N N 124.745 0.109 1 79 11 11 CYS H H 9.642 0.014 1 80 11 11 CYS HA H 5.21 0.013 1 81 11 11 CYS HB2 H 2.757 0.016 2 82 11 11 CYS HB3 H 2.721 0.031 2 83 11 11 CYS CA C 58.028 0.02 1 84 11 11 CYS CB C 30.04 0.065 1 85 11 11 CYS N N 121.772 0.006 1 86 12 12 PHE H H 9.164 0.015 1 87 12 12 PHE HA H 4.593 0.02 1 88 12 12 PHE HB2 H 2.956 0.012 2 89 12 12 PHE HD1 H 6.907 0.019 3 90 12 12 PHE CA C 57.954 0.089 1 91 12 12 PHE CB C 40.955 0.043 1 92 12 12 PHE CD1 C 130.555 0 1 93 12 12 PHE N N 126.076 0.022 1 94 13 13 VAL H H 7.807 0.007 1 95 13 13 VAL HA H 4.814 0.028 1 96 13 13 VAL HB H 1.393 0.017 1 97 13 13 VAL HG1 H 0.851 0.028 2 98 13 13 VAL HG2 H 0.446 0.014 2 99 13 13 VAL CA C 60.231 0.045 1 100 13 13 VAL CB C 33.092 0.047 1 101 13 13 VAL CG1 C 23.631 0.001 2 102 13 13 VAL CG2 C 21.539 0.001 2 103 13 13 VAL N N 127.398 0.039 1 104 14 14 GLY H H 9.233 0.013 1 105 14 14 GLY HA2 H 4.751 0.021 2 106 14 14 GLY HA3 H 3.597 0.009 2 107 14 14 GLY CA C 43.907 0.06 1 108 14 14 GLY N N 111.522 0.026 1 109 15 15 SER H H 8.442 0.01 1 110 15 15 SER HA H 4.502 0.02 1 111 15 15 SER HB2 H 4.015 0.024 2 112 15 15 SER CA C 59.104 0.082 1 113 15 15 SER CB C 63.747 0.078 1 114 15 15 SER N N 111.478 0.033 1 115 16 16 LEU H H 7.644 0.007 1 116 16 16 LEU HA H 4.244 0.016 1 117 16 16 LEU HB2 H 1.299 0.028 2 118 16 16 LEU HB3 H 1.022 0.043 2 119 16 16 LEU HG H 1.312 0.001 1 120 16 16 LEU HD1 H 0.721 0.039 2 121 16 16 LEU HD2 H 0.399 0.016 2 122 16 16 LEU CA C 54.162 0.094 1 123 16 16 LEU CB C 44.621 0.095 1 124 16 16 LEU CG C 27.4 0.001 1 125 16 16 LEU CD1 C 24.309 0.45 2 126 16 16 LEU CD2 C 26.947 0.45 2 127 16 16 LEU N N 113.683 0.026 1 128 17 17 SER H H 9.612 0.014 1 129 17 17 SER HA H 4.029 0.028 1 130 17 17 SER HB2 H 3.787 0.001 1 131 17 17 SER CA C 58.193 0.046 1 132 17 17 SER CB C 64.042 0.11 1 133 17 17 SER N N 115.568 0.01 1 134 18 18 TRP H H 8.249 0.009 1 135 18 18 TRP HA H 4.475 0.027 1 136 18 18 TRP HB2 H 3.386 0.023 2 137 18 18 TRP HB3 H 3.354 0.045 2 138 18 18 TRP HE3 H 7.276 0 4 139 18 18 TRP CA C 58.698 0.08 1 140 18 18 TRP CB C 28.802 0.042 1 141 18 18 TRP CE3 C 120.228 0 1 142 18 18 TRP N N 127.421 0.014 1 143 19 19 ASN H H 7.976 0.008 1 144 19 19 ASN HA H 4.543 0.016 1 145 19 19 ASN HB2 H 2.377 0.023 2 146 19 19 ASN CA C 53.76 0.09 1 147 19 19 ASN CB C 38.942 0.196 1 148 19 19 ASN N N 114.212 0.03 1 149 20 20 THR H H 7.329 0.011 1 150 20 20 THR HA H 4.218 0.021 1 151 20 20 THR HB H 3.858 0.013 1 152 20 20 THR HG2 H 1.228 0.016 1 153 20 20 THR CA C 64.982 0.031 1 154 20 20 THR CB C 68.935 0.122 1 155 20 20 THR N N 119.948 0.027 1 156 21 21 ASP H H 8.328 0.011 1 157 21 21 ASP HA H 4.935 0.014 1 158 21 21 ASP HB2 H 3.227 0.018 2 159 21 21 ASP HB3 H 2.727 0.036 2 160 21 21 ASP CA C 51.904 0.018 1 161 21 21 ASP CB C 43.007 0.038 1 162 21 21 ASP N N 128.939 0.005 1 163 22 22 ASP H H 8.21 0.019 1 164 22 22 ASP HA H 3.924 0.022 1 165 22 22 ASP HB2 H 2.834 0.015 2 166 22 22 ASP HB3 H 2.661 0.019 2 167 22 22 ASP CA C 58.551 0.074 1 168 22 22 ASP CB C 40.412 0.03 1 169 22 22 ASP N N 118.631 0.026 1 170 23 23 ARG H H 7.857 0.01 1 171 23 23 ARG HA H 4.141 0.023 1 172 23 23 ARG HB2 H 1.929 0.026 2 173 23 23 ARG HG2 H 1.757 0.001 2 174 23 23 ARG HD2 H 3.286 0.06 2 175 23 23 ARG HD3 H 3.497 0.045 2 176 23 23 ARG CA C 59.244 0.197 1 177 23 23 ARG CB C 29.942 0.056 1 178 23 23 ARG CG C 27.347 0.45 1 179 23 23 ARG CD C 43.595 0.45 1 180 23 23 ARG N N 118.64 0.064 1 181 24 24 GLY H H 8.618 0.012 1 182 24 24 GLY HA2 H 4.253 0.035 2 183 24 24 GLY HA3 H 3.902 0.022 2 184 24 24 GLY CA C 47.053 0.03 1 185 24 24 GLY N N 111.659 0.026 1 186 25 25 LEU H H 8.463 0.013 1 187 25 25 LEU HA H 4.061 0.009 1 188 25 25 LEU HB2 H 1.727 0.027 2 189 25 25 LEU HB3 H 1.377 0.018 2 190 25 25 LEU CA C 58.291 0.093 1 191 25 25 LEU CB C 42.648 0.054 1 192 25 25 LEU CG C 26.371 0.45 1 193 25 25 LEU CD1 C 25.517 0.45 2 194 25 25 LEU CD2 C 24.811 0.45 2 195 25 25 LEU N N 123.79 0.025 1 196 26 26 GLU H H 8.126 0.007 1 197 26 26 GLU HA H 3.622 0.013 1 198 26 26 GLU HB2 H 2.142 0.028 2 199 26 26 GLU HB3 H 2.062 0.03 2 200 26 26 GLU HG2 H 2.216 0.037 2 201 26 26 GLU HG3 H 1.727 0.029 2 202 26 26 GLU CA C 60.812 0.107 1 203 26 26 GLU CB C 29.956 0.04 1 204 26 26 GLU CG C 36.709 0.001 1 205 26 26 GLU N N 118.156 0.025 1 206 27 27 ALA H H 8.339 0.014 1 207 27 27 ALA HA H 4.221 0.031 1 208 27 27 ALA HB H 1.311 0.043 1 209 27 27 ALA HB H 1.562 0.045 1 210 27 27 ALA CA C 55.556 0.05 1 211 27 27 ALA CB C 18.536 0.032 1 212 27 27 ALA N N 119.408 0.128 1 213 28 28 ALA H H 7.836 0.035 1 214 28 28 ALA HA H 4.229 0.021 1 215 28 28 ALA HB H 1.547 0.015 1 216 28 28 ALA CA C 54.463 0.04 1 217 28 28 ALA CB C 19.463 0.034 1 218 28 28 ALA N N 118.729 0.172 1 219 29 29 PHE H H 7.848 0.006 1 220 29 29 PHE HA H 4.854 0.031 1 221 29 29 PHE HB2 H 3.618 0.018 2 222 29 29 PHE HB3 H 2.975 0.015 2 223 29 29 PHE CA C 60.245 0.044 1 224 29 29 PHE CB C 41.453 0.024 1 225 29 29 PHE N N 114.266 0.027 1 226 30 30 SER H H 8.094 0.021 1 227 30 30 SER HA H 4.462 0.02 1 228 30 30 SER HB2 H 4.201 0.019 2 229 30 30 SER HB3 H 4.133 0.021 2 230 30 30 SER CA C 62.098 0.165 1 231 30 30 SER CB C 63.879 0.064 1 232 30 30 SER N N 116.824 0.03 1 233 31 31 SER H H 8.079 0.018 1 234 31 31 SER HA H 4.121 0.02 1 235 31 31 SER HB2 H 3.464 0.02 2 236 31 31 SER HB3 H 3.413 0.035 2 237 31 31 SER CA C 60.801 0.055 1 238 31 31 SER CB C 62.904 0.065 1 239 31 31 SER N N 115.222 0.032 1 240 32 32 PHE H H 7.567 0.006 1 241 32 32 PHE HA H 4.359 0.013 1 242 32 32 PHE HB2 H 3.317 0.016 2 243 32 32 PHE HB3 H 2.939 0.016 2 244 32 32 PHE CA C 60.25 0.031 1 245 32 32 PHE CB C 39.814 0.044 1 246 32 32 PHE N N 117.764 0.097 1 247 33 33 GLY H H 7.429 0.023 1 248 33 33 GLY HA2 H 4.351 0.019 2 249 33 33 GLY HA3 H 3.963 0.01 2 250 33 33 GLY CA C 45.136 0.033 1 251 33 33 GLY N N 104.28 0.036 1 252 34 34 GLU H H 8.321 0.01 1 253 34 34 GLU HA H 4.234 0.001 1 254 34 34 GLU HB2 H 2.075 0.014 2 255 34 34 GLU HB3 H 2.008 0.045 2 256 34 34 GLU HG2 H 2.324 0.045 2 257 34 34 GLU CA C 57.543 0.054 1 258 34 34 GLU CB C 30.356 0.044 1 259 34 34 GLU CG C 36.36 0.45 1 260 34 34 GLU N N 119.085 0.223 1 261 35 35 ILE H H 8.594 0.012 1 262 35 35 ILE HA H 4.152 0.016 1 263 35 35 ILE HB H 1.776 0.01 1 264 35 35 ILE HG2 H 0.647 0.017 1 265 35 35 ILE CA C 60.332 0.104 1 266 35 35 ILE CB C 39.124 0.089 1 267 35 35 ILE CG1 C 17.981 0.45 1 268 35 35 ILE CG2 C 18.46 0.001 1 269 35 35 ILE CD1 C 14.822 0.003 1 270 35 35 ILE N N 128.103 0.021 1 271 36 36 LEU H H 8.832 0.016 1 272 36 36 LEU HA H 4.284 0.016 1 273 36 36 LEU HB2 H 1.423 0.023 2 274 36 36 LEU HG H 1.52 0.001 1 275 36 36 LEU HD1 H 0.821 0.016 2 276 36 36 LEU CA C 56.076 0.039 1 277 36 36 LEU CB C 42.561 0.103 1 278 36 36 LEU CG C 27.939 0.45 1 279 36 36 LEU CD1 C 26.324 0.45 2 280 36 36 LEU CD2 C 22.684 0.45 2 281 36 36 LEU N N 128.533 0.067 1 282 37 37 ASP H H 7.197 0.007 1 283 37 37 ASP HA H 4.637 0.015 1 284 37 37 ASP HB2 H 2.668 0.024 2 285 37 37 ASP HB3 H 2.311 0.013 2 286 37 37 ASP CA C 54.51 0.044 1 287 37 37 ASP CB C 44.569 0.023 1 288 37 37 ASP N N 115.897 0.025 1 289 38 38 ALA H H 8.089 0.008 1 290 38 38 ALA HA H 4.985 0.017 1 291 38 38 ALA HB H 1.168 0.021 1 292 38 38 ALA CA C 51.871 0.003 1 293 38 38 ALA CB C 21.066 0.04 1 294 38 38 ALA N N 126.192 0.005 1 295 39 39 LYS H H 8.351 0.015 1 296 39 39 LYS HA H 4.671 0.013 1 297 39 39 LYS HB2 H 1.647 0.013 2 298 39 39 LYS HB3 H 1.56 0.004 2 299 39 39 LYS HG2 H 1.316 0.001 2 300 39 39 LYS HG3 H 1.382 0.014 2 301 39 39 LYS HD2 H 1.719 0.007 2 302 39 39 LYS HD3 H 1.298 0.014 2 303 39 39 LYS HE2 H 3.182 0.091 2 304 39 39 LYS CA C 54.788 0.134 1 305 39 39 LYS CB C 36.857 0.06 1 306 39 39 LYS CG C 24.26 0.45 1 307 39 39 LYS CD C 29.413 0.026 1 308 39 39 LYS CE C 42.438 0.45 1 309 39 39 LYS N N 120.633 0.04 1 310 40 40 ILE H H 8.415 0.013 1 311 40 40 ILE HA H 4.052 0.029 1 312 40 40 ILE HB H 1.833 0.016 1 313 40 40 ILE HG12 H 1.244 0.02 2 314 40 40 ILE HG13 H 1.268 0.045 1 315 40 40 ILE HG2 H 0.8112 0.001 1 316 40 40 ILE CA C 58.717 0.046 1 317 40 40 ILE CB C 38.168 0.062 1 318 40 40 ILE CG1 C 27.338 0.45 1 319 40 40 ILE CG2 C 17.956 0.45 1 320 40 40 ILE CD1 C 12.385 0.45 1 321 40 40 ILE N N 123.563 0.065 1 322 41 41 ILE H H 8.322 0.009 1 323 41 41 ILE HA H 4.034 0.017 1 324 41 41 ILE HB H 1.012 0.012 1 325 41 41 ILE HG2 H 1.385 0.001 1 326 41 41 ILE HG12 H 0.776 0.007 1 327 41 41 ILE HG13 H 0.754 0.045 1 328 41 41 ILE CA C 58.688 0.223 1 329 41 41 ILE CB C 34.407 0.092 1 330 41 41 ILE CG1 C 27.827 0.45 1 331 41 41 ILE CG2 C 18.321 0.001 1 332 41 41 ILE N N 127.213 0.025 1 333 42 42 ASN H H 8.225 0.01 1 334 42 42 ASN HA H 5.136 0.009 1 335 42 42 ASN HB2 H 2.408 0.011 2 336 42 42 ASN HB3 H 2.148 0.017 2 337 42 42 ASN CA C 51.862 0.033 1 338 42 42 ASN CB C 41.421 0.047 1 339 42 42 ASN N N 124.306 0.005 1 340 43 43 ASP H H 8.956 0.011 1 341 43 43 ASP HA H 4.513 0.016 1 342 43 43 ASP HB2 H 3.013 0.016 2 343 43 43 ASP HB3 H 2.512 0.03 2 344 43 43 ASP CA C 54.558 0.061 1 345 43 43 ASP CB C 43.373 0.068 1 346 43 43 ASP N N 122.737 0.023 1 347 44 44 ARG H H 9.01 0.017 1 348 44 44 ARG HA H 4.045 0.014 1 349 44 44 ARG HB2 H 1.929 0.015 2 350 44 44 ARG HG2 H 1.745 0.009 2 351 44 44 ARG HD2 H 3.266 0.018 2 352 44 44 ARG CA C 59.119 0.093 1 353 44 44 ARG CB C 30.541 0.109 1 354 44 44 ARG CG C 27.85 0.45 1 355 44 44 ARG CD C 43.589 0.002 1 356 44 44 ARG N N 128.065 0.005 1 357 45 45 GLU H H 8.602 0.008 1 358 45 45 GLU HA H 4.281 0.011 1 359 45 45 GLU HB2 H 2.233 0.044 2 360 45 45 GLU HB3 H 2.167 0.035 2 361 45 45 GLU HG2 H 2.33 0.045 2 362 45 45 GLU CA C 58.822 0.039 1 363 45 45 GLU CB C 30.768 0.117 1 364 45 45 GLU CG C 36.843 0.45 1 365 45 45 GLU N N 117.9 0.025 1 366 46 46 THR H H 8.139 0.009 1 367 46 46 THR HA H 4.379 0.019 1 368 46 46 THR HB H 4.305 0.001 1 369 46 46 THR HG2 H 1.22 0.012 1 370 46 46 THR CA C 62.164 0.117 1 371 46 46 THR CB C 71.248 0.14 1 372 46 46 THR CG2 C 21.597 0.45 1 373 46 46 THR N N 107.054 0.03 1 374 47 47 GLY H H 8.242 0.008 1 375 47 47 GLY HA2 H 4.159 0.019 2 376 47 47 GLY HA3 H 3.756 0.011 2 377 47 47 GLY CA C 46.104 0.051 1 378 47 47 GLY N N 111.153 0.001 1 379 48 48 ARG H H 7.688 0.006 1 380 48 48 ARG HA H 4.297 0.015 1 381 48 48 ARG HB2 H 1.79 0.013 2 382 48 48 ARG HB3 H 1.61 0.029 2 383 48 48 ARG HD2 H 3.03 0.014 2 384 48 48 ARG HD3 H 3.07 0.045 2 385 48 48 ARG CA C 55.883 0.053 1 386 48 48 ARG CB C 32.206 0.041 1 387 48 48 ARG CG C 27.803 0.45 1 388 48 48 ARG CD C 43.642 0.45 1 389 48 48 ARG N N 119.634 0.029 1 390 49 49 SER H H 8.54 0.009 1 391 49 49 SER HA H 4.575 0.018 1 392 49 49 SER HB2 H 4.159 0.029 2 393 49 49 SER HB3 H 3.835 0.024 2 394 49 49 SER CA C 58.7 0.021 1 395 49 49 SER CB C 64.984 0.079 1 396 49 49 SER N N 116.775 0.029 1 397 50 50 ARG H H 9.195 0.014 1 398 50 50 ARG HA H 4.474 0.013 1 399 50 50 ARG HB2 H 2.298 0.019 2 400 50 50 ARG HB3 H 1.241 0.025 2 401 50 50 ARG HG2 H 1.674 0.012 2 402 50 50 ARG HG3 H 1.69 0.045 2 403 50 50 ARG HD2 H 3.285 0.034 2 404 50 50 ARG HD3 H 3.038 0.023 2 405 50 50 ARG CA C 57.151 0.067 1 406 50 50 ARG CB C 30.992 0.018 1 407 50 50 ARG CG C 28.356 0.055 1 408 50 50 ARG CD C 44.131 0.001 1 409 50 50 ARG N N 124.344 0.024 1 410 51 51 GLY H H 9.623 0.013 1 411 51 51 GLY HA2 H 4.198 0.02 2 412 51 51 GLY HA3 H 3.297 0.02 2 413 51 51 GLY CA C 46.172 0.045 1 414 51 51 GLY N N 108.648 0.006 1 415 52 52 PHE H H 7.138 0.01 1 416 52 52 PHE HA H 5.243 0.011 1 417 52 52 PHE HB2 H 3.22 0.016 2 418 52 52 PHE HB3 H 2.93 0.038 2 419 52 52 PHE HD1 H 7.179 0 3 420 52 52 PHE CA C 55.272 0.033 1 421 52 52 PHE CB C 42.003 0.052 1 422 52 52 PHE CD1 C 128.99 0 3 423 52 52 PHE N N 112.468 0.031 1 424 53 53 GLY H H 8.922 0.012 1 425 53 53 GLY HA2 H 3.845 0.013 2 426 53 53 GLY CA C 45.587 0.071 1 427 53 53 GLY N N 106.38 0.052 1 428 54 54 PHE H H 8.072 0.01 1 429 54 54 PHE HA H 5.692 0.045 1 430 54 54 PHE HD1 H 7.062 0 3 431 54 54 PHE CA C 58.193 0.45 1 432 54 54 PHE CB C 39.257 0.45 1 433 54 54 PHE CD1 C 129.115 0 1 434 54 54 PHE N N 120.24 0.078 1 435 55 55 VAL HA H 4.443 0.026 1 436 55 55 VAL HB H 1.211 0.009 1 437 55 55 VAL HG1 H 0.136 0.017 2 438 55 55 VAL CA C 61.417 0.45 1 439 55 55 VAL CB C 35.201 0.45 1 440 55 55 VAL CG1 C 22.691 0.45 2 441 55 55 VAL CG2 C 20.956 0.45 2 442 56 56 SER H H 8.886 0.01 1 443 56 56 SER HA H 5.299 0.018 1 444 56 56 SER HB2 H 3.731 0.03 2 445 56 56 SER HB3 H 3.723 0.029 2 446 56 56 SER CA C 57.31 0.137 1 447 56 56 SER CB C 65.453 0.019 1 448 56 56 SER N N 122.005 0.01 1 449 57 57 PHE H H 9.154 0.013 1 450 57 57 PHE HA H 5.454 0.021 1 451 57 57 PHE HB2 H 3.624 0.016 2 452 57 57 PHE HB3 H 3.01 0.022 2 453 57 57 PHE HD1 H 7.166 0 1 454 57 57 PHE CA C 57.619 0.013 1 455 57 57 PHE CB C 43.962 0.034 1 456 57 57 PHE CD1 C 135.875 0 1 457 57 57 PHE N N 123.381 0.019 1 458 58 58 SER H H 8.923 0.013 1 459 58 58 SER HA H 4.735 0.019 1 460 58 58 SER HB2 H 4.314 0.027 2 461 58 58 SER HB3 H 3.821 0.016 2 462 58 58 SER CA C 59.282 0.048 1 463 58 58 SER CB C 65.03 0.056 1 464 58 58 SER N N 113.204 0.024 1 465 59 59 ASN H H 7.591 0.007 1 466 59 59 ASN HA H 4.547 0.013 1 467 59 59 ASN HB2 H 2.837 0.024 2 468 59 59 ASN HB3 H 2.534 0.015 2 469 59 59 ASN CA C 52.853 0.02 1 470 59 59 ASN CB C 41.968 0.044 1 471 59 59 ASN N N 115.833 0.047 1 472 60 60 GLU H H 7.987 0.006 1 473 60 60 GLU HA H 3.176 0.019 1 474 60 60 GLU HB2 H 1.652 0.01 2 475 60 60 GLU HB3 H 1.47 0.021 2 476 60 60 GLU HG2 H 2.108 0.005 2 477 60 60 GLU CA C 59.392 0.108 1 478 60 60 GLU CB C 30.43 0.036 1 479 60 60 GLU CG C 36.8 0.45 1 480 60 60 GLU N N 122.289 0.017 1 481 61 61 GLN H H 8.163 0.046 1 482 61 61 GLN HA H 3.779 0.023 1 483 61 61 GLN HB2 H 2.104 0.023 2 484 61 61 GLN HB3 H 1.981 0.023 2 485 61 61 GLN HG2 H 2.362 0.019 2 486 61 61 GLN CA C 59.001 0.063 1 487 61 61 GLN CB C 28.471 0.033 1 488 61 61 GLN CG C 34.169 0.001 1 489 61 61 GLN N N 119.867 0.023 1 490 62 62 ALA H H 7.685 0.006 1 491 62 62 ALA HA H 3.867 0.016 1 492 62 62 ALA HB H 1.217 0.011 1 493 62 62 ALA CA C 55.408 0.028 1 494 62 62 ALA CB C 19.962 0.043 1 495 62 62 ALA N N 121.088 0.028 1 496 63 63 MET H H 6.433 0.009 1 497 63 63 MET HA H 3.253 0.01 1 498 63 63 MET HB2 H 2.23 0.045 2 499 63 63 MET HB3 H 2.35 0.045 2 500 63 63 MET HG2 H 3.244 0.013 2 501 63 63 MET CA C 59.27 0.039 1 502 63 63 MET CB C 32.808 0.078 1 503 63 63 MET CG C 31.591 0.45 1 504 63 63 MET N N 114.605 0.03 1 505 64 64 GLN H H 8.191 0.018 1 506 64 64 GLN HA H 3.925 0.018 1 507 64 64 GLN HB2 H 2.439 0.033 2 508 64 64 GLN HB3 H 2.065 0.02 2 509 64 64 GLN HG2 H 2.537 0.019 2 510 64 64 GLN HG3 H 2.837 0.045 2 511 64 64 GLN CA C 59.301 0.041 1 512 64 64 GLN CB C 27.911 0.051 1 513 64 64 GLN CG C 33.631 0.001 1 514 64 64 GLN N N 117.777 0.078 1 515 65 65 ASP H H 8.813 0.014 1 516 65 65 ASP HA H 4.264 0.011 1 517 65 65 ASP HB2 H 2.885 0.01 2 518 65 65 ASP HB3 H 2.744 0.016 2 519 65 65 ASP CA C 57.442 0.05 1 520 65 65 ASP CB C 40.178 0.057 1 521 65 65 ASP N N 121.093 0.006 1 522 66 66 ALA H H 8.009 0.009 1 523 66 66 ALA HA H 2.151 0.038 1 524 66 66 ALA HB H 1.281 0.006 1 525 66 66 ALA HB H 1.298 0.008 1 526 66 66 ALA CA C 54.542 0.03 1 527 66 66 ALA CB C 20.221 0.093 1 528 66 66 ALA N N 125.406 0.105 1 529 67 67 ILE H H 7.922 0.006 1 530 67 67 ILE HA H 3.392 0.017 1 531 67 67 ILE HB H 1.83 0.019 1 532 67 67 ILE HG12 H 0.962 0.027 1 533 67 67 ILE HG13 H 0.962 0.027 1 534 67 67 ILE HG2 H 0.618 0.045 1 535 67 67 ILE HD1 H 0.641 0.033 1 536 67 67 ILE CA C 66.49 0.034 1 537 67 67 ILE CB C 39.236 0.054 1 538 67 67 ILE CG1 C 30.998 0.45 1 539 67 67 ILE CG2 C 17.506 0.009 1 540 67 67 ILE CD1 C 15.325 0.45 1 541 67 67 ILE N N 119.175 0.027 1 542 68 68 GLU H H 7.793 0.007 1 543 68 68 GLU HA H 4.028 0.018 1 544 68 68 GLU HB2 H 2.058 0.023 2 545 68 68 GLU HG2 H 2.324 0.045 2 546 68 68 GLU CA C 59.206 0.036 1 547 68 68 GLU CB C 30.227 0.13 1 548 68 68 GLU CG C 36.673 0.45 1 549 68 68 GLU N N 117.153 0.034 1 550 69 69 GLY H H 8.347 0.009 1 551 69 69 GLY HA2 H 4.074 0.012 2 552 69 69 GLY HA3 H 3.544 0.014 2 553 69 69 GLY CA C 46.608 0.032 1 554 69 69 GLY N N 104.98 0.029 1 555 70 70 MET H H 7.893 0.021 1 556 70 70 MET HA H 5.047 0.014 1 557 70 70 MET HB2 H 2.044 0.005 2 558 70 70 MET HB3 H 1.736 0.038 2 559 70 70 MET HG2 H 2.026 0.011 2 560 70 70 MET CA C 53.949 0.008 1 561 70 70 MET CB C 33.949 0.096 1 562 70 70 MET N N 115.257 0.029 1 563 71 71 ASN H H 7.777 0.014 1 564 71 71 ASN HA H 4.377 0.01 1 565 71 71 ASN HB2 H 3.325 0.017 2 566 71 71 ASN HB3 H 2.971 0.017 2 567 71 71 ASN CA C 57.576 0.041 1 568 71 71 ASN CB C 39.277 0.03 1 569 71 71 ASN N N 117.147 0.032 1 570 72 72 GLY H H 8.826 0.012 1 571 72 72 GLY HA2 H 4.208 0.013 2 572 72 72 GLY HA3 H 3.863 0.016 2 573 72 72 GLY CA C 46.408 0.058 1 574 72 72 GLY N N 117.416 0.006 1 575 73 73 LYS H H 7.824 0.008 1 576 73 73 LYS HA H 4.364 0.011 1 577 73 73 LYS HB2 H 2.117 0.045 2 578 73 73 LYS HB3 H 2.016 0.01 2 579 73 73 LYS HG2 H 1.31 0.001 1 580 73 73 LYS HD2 H 1.52 0.001 1 581 73 73 LYS CA C 54.98 0.045 1 582 73 73 LYS CB C 33.112 0.042 1 583 73 73 LYS CG C 25.832 0.45 1 584 73 73 LYS CD C 28.448 0.45 1 585 73 73 LYS CE C 43.087 0.45 1 586 73 73 LYS N N 121.748 0.03 1 587 74 74 GLU H H 8.048 0.008 1 588 74 74 GLU HA H 4.767 0.026 1 589 74 74 GLU HB2 H 1.842 0.016 2 590 74 74 GLU HG2 H 2.075 0.01 2 591 74 74 GLU CA C 56.317 0.127 1 592 74 74 GLU CB C 31.137 0.117 1 593 74 74 GLU CG C 37.244 0.45 1 594 74 74 GLU N N 119.424 0.014 1 595 75 75 LEU H H 8.983 0.013 1 596 75 75 LEU HA H 4.528 0.039 1 597 75 75 LEU HB2 H 1.864 0.013 2 598 75 75 LEU HB3 H 1.133 0.012 2 599 75 75 LEU HG H 1.421 0.022 1 600 75 75 LEU HD1 H 0.852 0.021 2 601 75 75 LEU HD2 H 0.796 0.045 2 602 75 75 LEU CA C 55.104 0.045 1 603 75 75 LEU CB C 45.038 0.043 1 604 75 75 LEU CG C 28.111 0.45 1 605 75 75 LEU CD1 C 26.108 0.45 2 606 75 75 LEU CD2 C 24.251 0.45 2 607 75 75 LEU N N 127.376 0.002 1 608 76 76 ASP H H 9.556 0.015 1 609 76 76 ASP HA H 4.234 0.015 1 610 76 76 ASP HB2 H 2.856 0.033 2 611 76 76 ASP HB3 H 2.443 0.021 2 612 76 76 ASP CA C 56.164 0.044 1 613 76 76 ASP CB C 40.098 0.153 1 614 76 76 ASP N N 128.631 0.015 1 615 77 77 GLY H H 8.63 0.009 1 616 77 77 GLY HA2 H 4.098 0.03 2 617 77 77 GLY HA3 H 3.614 0.032 2 618 77 77 GLY CA C 45.892 0.07 1 619 77 77 GLY N N 102.092 0.032 1 620 78 78 ARG H H 7.478 0.004 1 621 78 78 ARG HA H 4.675 0.012 1 622 78 78 ARG HB2 H 1.948 0.009 2 623 78 78 ARG HB3 H 1.662 0.029 2 624 78 78 ARG HG2 H 1.643 0.035 2 625 78 78 ARG HG3 H 1.563 0.019 2 626 78 78 ARG HD2 H 3.11 0.017 2 627 78 78 ARG CA C 53.906 0.031 1 628 78 78 ARG CB C 33.422 0.027 1 629 78 78 ARG CG C 26.919 0.45 1 630 78 78 ARG CD C 42.994 0.45 1 631 78 78 ARG N N 119.712 0.027 1 632 79 79 SER H H 8.352 0.008 1 633 79 79 SER HA H 4.554 0.031 1 634 79 79 SER HB2 H 2.768 0.016 2 635 79 79 SER HB3 H 2.584 0.005 2 636 79 79 SER CA C 58.17 0.076 1 637 79 79 SER CB C 63.354 0.092 1 638 79 79 SER N N 117.877 0.177 1 639 80 80 ILE H H 8.252 0.011 1 640 80 80 ILE HA H 4.642 0.037 1 641 80 80 ILE HB H 2.087 0.003 1 642 80 80 ILE HG2 H 0.957 0.001 1 643 80 80 ILE HG12 H 1.38 0.016 2 644 80 80 ILE CA C 61.973 0.135 1 645 80 80 ILE CB C 40.227 0.061 1 646 80 80 ILE CG1 C 30.915 0.015 1 647 80 80 ILE CG2 C 19.495 0.45 1 648 80 80 ILE CD1 C 15.195 0.45 1 649 80 80 ILE N N 121.931 0.035 1 650 81 81 VAL H H 8.068 0.011 1 651 81 81 VAL HA H 4.678 0.013 1 652 81 81 VAL HB H 1.765 0.018 1 653 81 81 VAL HG2 H 0.992 0.023 2 654 81 81 VAL CA C 60.841 0.082 1 655 81 81 VAL CB C 35.153 0.03 1 656 81 81 VAL CG1 C 24.712 0.45 2 657 81 81 VAL CG2 C 21.212 0.003 2 658 81 81 VAL N N 121.497 0.068 1 659 82 82 VAL H H 8.656 0.01 1 660 82 82 VAL HA H 5.474 0.027 1 661 82 82 VAL HB H 1.941 0.018 1 662 82 82 VAL HG2 H 1.078 0.025 2 663 82 82 VAL CA C 60.722 0.021 1 664 82 82 VAL CB C 35.323 0.076 1 665 82 82 VAL CG1 C 23.49 0.45 2 666 82 82 VAL CG2 C 23.97 1.269 2 667 82 82 VAL N N 124.516 0.014 1 668 83 83 ASN H H 8.981 0.011 1 669 83 83 ASN HA H 4.921 0.009 1 670 83 83 ASN HB2 H 3.006 0.015 2 671 83 83 ASN HB3 H 2.859 0.026 2 672 83 83 ASN CA C 52.416 0.044 1 673 83 83 ASN CB C 42.493 0.055 1 674 83 83 ASN N N 120.981 0.032 1 675 84 84 GLU H H 9.223 0.014 1 676 84 84 GLU HA H 4.379 0.015 1 677 84 84 GLU HB2 H 2.108 0.012 2 678 84 84 GLU HG2 H 2.64 0.011 2 679 84 84 GLU HG3 H 2.469 0.012 2 680 84 84 GLU CA C 58.562 0.127 1 681 84 84 GLU CB C 30.346 0.052 1 682 84 84 GLU CG C 36.781 0.001 1 683 84 84 GLU N N 122.499 0.012 1 684 85 85 ALA H H 8.802 0.015 1 685 85 85 ALA HA H 4.515 0.014 1 686 85 85 ALA HB H 1.462 0.045 1 687 85 85 ALA HB H 1.483 0.006 1 688 85 85 ALA CA C 53.27 0.104 1 689 85 85 ALA CB C 19.901 0.016 1 690 85 85 ALA N N 128.423 0.019 1 691 86 86 GLN H H 8.763 0.013 1 692 86 86 GLN HA H 4.345 0.013 1 693 86 86 GLN HB2 H 2.08 0.001 1 694 86 86 GLN HG2 H 2.368 0.013 2 695 86 86 GLN CA C 56.546 0.065 1 696 86 86 GLN CB C 29.856 0.031 1 697 86 86 GLN CG C 34.192 0.45 1 698 86 86 GLN N N 120.43 0.031 1 699 87 87 SER H H 8.385 0.008 1 700 87 87 SER HA H 4.425 0.028 1 701 87 87 SER HB2 H 3.845 0.025 2 702 87 87 SER CA C 58.891 0.147 1 703 87 87 SER CB C 63.966 0.063 1 704 87 87 SER N N 117.072 0.024 1 705 88 88 ARG H H 8.284 0.011 1 706 88 88 ARG HA H 4.271 0.013 1 707 88 88 ARG HB2 H 1.755 0.021 2 708 88 88 ARG HG2 H 1.514 0.028 2 709 88 88 ARG HD2 H 3.023 0.024 2 710 88 88 ARG CA C 56.553 0.052 1 711 88 88 ARG CB C 30.997 0.064 1 712 88 88 ARG CG C 27.351 0.45 1 713 88 88 ARG CD C 43.599 0.45 1 714 88 88 ARG N N 122.122 0.114 1 715 89 89 GLY H H 8.256 0.012 1 716 89 89 GLY HA2 H 3.838 0.045 2 717 89 89 GLY CA C 45.553 0.107 1 718 89 89 GLY N N 109.203 0.029 1 719 90 90 TYR H H 8.066 0.012 1 720 90 90 TYR HA H 4.494 0.012 1 721 90 90 TYR HB2 H 2.982 0.028 2 722 90 90 TYR HD1 H 7.689 0 3 723 90 90 TYR CA C 58.419 0.194 1 724 90 90 TYR CB C 39.213 0.049 1 725 90 90 TYR CD1 C 129.428 0 1 726 90 90 TYR N N 119.429 0.019 1 727 91 91 GLY H H 8.349 0.01 1 728 91 91 GLY HA2 H 4.755 0.009 2 729 91 91 GLY CA C 45.828 0.294 1 730 91 91 GLY N N 111.579 0.03 1 731 92 92 GLY H H 7.571 0.011 1 732 92 92 GLY CA C 46.16 0.45 1 733 92 92 GLY N N 115.937 0.397 1 stop_ save_