data_18678 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of the N-terminal RNA Binding domain 1 (RRM1) of the protein RBM10 from Homo sapiens ; _BMRB_accession_number 18678 _BMRB_flat_file_name bmr18678.str _Entry_type original _Submission_date 2012-08-27 _Accession_date 2012-08-27 _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 Serrano Pedro . . 2 Geralt Michael . . 3 Dutta Samit . . 4 Wuthrich Kurt . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 537 "13C chemical shifts" 368 "15N chemical shifts" 100 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-09-17 original author . stop_ _Original_release_date 2012-09-17 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR structure of the N-terminal RNA Binding domain 1 (RRM1) of the protein RBM10 from Homo sapiens' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Serrano Pedro . . 2 Wuthrich Kurt . . stop_ _Journal_abbreviation 'Not known' _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 . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name RRM1-RBM10 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label RRM1-RBM10 $RRM1-RBM10 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-RBM10 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 10479.927 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 91 _Mol_residue_sequence ; SNIVMLRMLPQAATEDDIRG QLQSHGVQAREVRLMRNKSS GQSRGFAFVEFSHLQDATRW MEANQHSLNILGQKVSMHYS DPKPKINEDWL ; loop_ _Residue_seq_code _Residue_label 1 SER 2 ASN 3 ILE 4 VAL 5 MET 6 LEU 7 ARG 8 MET 9 LEU 10 PRO 11 GLN 12 ALA 13 ALA 14 THR 15 GLU 16 ASP 17 ASP 18 ILE 19 ARG 20 GLY 21 GLN 22 LEU 23 GLN 24 SER 25 HIS 26 GLY 27 VAL 28 GLN 29 ALA 30 ARG 31 GLU 32 VAL 33 ARG 34 LEU 35 MET 36 ARG 37 ASN 38 LYS 39 SER 40 SER 41 GLY 42 GLN 43 SER 44 ARG 45 GLY 46 PHE 47 ALA 48 PHE 49 VAL 50 GLU 51 PHE 52 SER 53 HIS 54 LEU 55 GLN 56 ASP 57 ALA 58 THR 59 ARG 60 TRP 61 MET 62 GLU 63 ALA 64 ASN 65 GLN 66 HIS 67 SER 68 LEU 69 ASN 70 ILE 71 LEU 72 GLY 73 GLN 74 LYS 75 VAL 76 SER 77 MET 78 HIS 79 TYR 80 SER 81 ASP 82 PRO 83 LYS 84 PRO 85 LYS 86 ILE 87 ASN 88 GLU 89 ASP 90 TRP 91 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-22 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 2LXI "Nmr Structure Of The N-terminal Rna Binding Domain 1 (rrm1) Of The Protein Rbm10 From Homo Sapiens" 100.00 91 100.00 100.00 2.73e-60 DBJ BAC65490 "mKIAA0122 protein [Mus musculus]" 82.42 857 98.67 100.00 9.59e-44 GB EHB02419 "RNA-binding protein 10, partial [Heterocephalus glaber]" 100.00 936 100.00 100.00 5.25e-56 GB ERE65732 "RNA-binding protein 10 isoform 2 [Cricetulus griseus]" 100.00 696 100.00 100.00 1.63e-56 REF XP_010993528 "PREDICTED: RNA-binding protein 10-like [Camelus dromedarius]" 95.60 513 100.00 100.00 3.60e-54 REF XP_012354033 "PREDICTED: RNA-binding protein 10 [Nomascus leucogenys]" 100.00 850 100.00 100.00 3.15e-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 $RRM1-RBM10 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-RBM10 'recombinant technology' . Escherichia coli . pSpeedET 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-RBM10 1.2 mM '[U-98% 13C; U-98% 15N]' 'sodium chloride' 50 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium azide' 5 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'G??ntert P.' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _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_3D_1H-13C_NOESY_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_APSY_4D-HACANH_5 _Saveframe_category NMR_applied_experiment _Experiment_name 'APSY 4D-HACANH' _Sample_label $sample_1 save_ save_APSY_5D-CBCACONH_6 _Saveframe_category NMR_applied_experiment _Experiment_name 'APSY 5D-CBCACONH' _Sample_label $sample_1 save_ save_APSY_5D-HACACONH_7 _Saveframe_category NMR_applied_experiment _Experiment_name 'APSY 5D-HACACONH' _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' 0.220 . 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 protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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 '2D 1H-15N HSQC' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D 1H-15N NOESY' 'APSY 4D-HACANH' 'APSY 5D-CBCACONH' 'APSY 5D-HACACONH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name RRM1-RBM10 _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 SER HB2 H 3.907 0.008 2 2 1 1 SER HB3 H 4.072 0.008 2 3 1 1 SER CB C 65.353 0.18 1 4 2 2 ASN H H 8.371 0.008 1 5 2 2 ASN HA H 4.732 0.008 1 6 2 2 ASN HB2 H 2.560 0.008 2 7 2 2 ASN HB3 H 3.208 0.008 2 8 2 2 ASN HD21 H 7.126 0.008 2 9 2 2 ASN HD22 H 7.754 0.008 2 10 2 2 ASN CA C 54.037 0.18 1 11 2 2 ASN CB C 36.851 0.18 1 12 2 2 ASN N N 114.260 0.12 1 13 2 2 ASN ND2 N 112.909 0.12 1 14 3 3 ILE H H 8.684 0.008 1 15 3 3 ILE HA H 5.154 0.008 1 16 3 3 ILE HB H 2.023 0.008 1 17 3 3 ILE HG12 H 1.687 0.008 2 18 3 3 ILE HG13 H 0.945 0.008 2 19 3 3 ILE HG2 H 0.980 0.008 1 20 3 3 ILE HD1 H 0.844 0.008 1 21 3 3 ILE C C 175.062 0.18 1 22 3 3 ILE CA C 60.507 0.18 1 23 3 3 ILE CB C 39.122 0.18 1 24 3 3 ILE CG1 C 27.798 0.18 1 25 3 3 ILE CG2 C 18.777 0.18 1 26 3 3 ILE CD1 C 13.606 0.18 1 27 3 3 ILE N N 120.709 0.12 1 28 4 4 VAL H H 9.484 0.008 1 29 4 4 VAL HA H 4.799 0.008 1 30 4 4 VAL HB H 2.398 0.008 1 31 4 4 VAL HG1 H 1.274 0.008 2 32 4 4 VAL HG2 H 1.000 0.008 2 33 4 4 VAL C C 175.169 0.18 1 34 4 4 VAL CA C 60.526 0.18 1 35 4 4 VAL CB C 35.363 0.18 1 36 4 4 VAL CG1 C 22.158 0.18 2 37 4 4 VAL CG2 C 21.699 0.18 2 38 4 4 VAL N N 127.219 0.12 1 39 5 5 MET H H 9.974 0.008 1 40 5 5 MET HA H 5.259 0.008 1 41 5 5 MET HB2 H 1.922 0.008 2 42 5 5 MET HB3 H 1.922 0.008 2 43 5 5 MET HG2 H 2.148 0.008 2 44 5 5 MET HG3 H 1.915 0.008 2 45 5 5 MET HE H 1.706 0.008 1 46 5 5 MET C C 175.079 0.18 1 47 5 5 MET CA C 53.419 0.18 1 48 5 5 MET CB C 35.754 0.18 1 49 5 5 MET CG C 31.528 0.18 1 50 5 5 MET CE C 17.241 0.18 1 51 5 5 MET N N 127.666 0.12 1 52 6 6 LEU H H 9.074 0.008 1 53 6 6 LEU HA H 5.467 0.008 1 54 6 6 LEU HB2 H 1.584 0.008 2 55 6 6 LEU HB3 H 1.222 0.008 2 56 6 6 LEU HG H 1.709 0.008 1 57 6 6 LEU HD1 H 0.883 0.008 2 58 6 6 LEU HD2 H 0.788 0.008 2 59 6 6 LEU C C 176.500 0.18 1 60 6 6 LEU CA C 52.106 0.18 1 61 6 6 LEU CB C 43.147 0.18 1 62 6 6 LEU CG C 27.166 0.18 1 63 6 6 LEU CD1 C 26.109 0.18 2 64 6 6 LEU CD2 C 24.701 0.18 2 65 6 6 LEU N N 126.088 0.12 1 66 7 7 ARG H H 8.600 0.008 1 67 7 7 ARG HA H 4.911 0.008 1 68 7 7 ARG HB2 H 1.876 0.008 2 69 7 7 ARG HB3 H 1.876 0.008 2 70 7 7 ARG HG2 H 1.427 0.008 2 71 7 7 ARG HG3 H 1.427 0.008 2 72 7 7 ARG HD2 H 2.767 0.008 2 73 7 7 ARG HD3 H 2.842 0.008 2 74 7 7 ARG C C 174.863 0.18 1 75 7 7 ARG CA C 54.612 0.18 1 76 7 7 ARG CB C 33.847 0.18 1 77 7 7 ARG CG C 28.380 0.18 1 78 7 7 ARG CD C 43.208 0.18 1 79 7 7 ARG N N 119.197 0.12 1 80 8 8 MET H H 8.430 0.008 1 81 8 8 MET HA H 4.057 0.008 1 82 8 8 MET HB2 H 2.380 0.008 2 83 8 8 MET HB3 H 2.770 0.008 2 84 8 8 MET HG2 H 2.512 0.008 2 85 8 8 MET HG3 H 2.625 0.008 2 86 8 8 MET HE H 2.144 0.008 1 87 8 8 MET C C 176.959 0.18 1 88 8 8 MET CA C 55.822 0.18 1 89 8 8 MET CB C 28.761 0.18 1 90 8 8 MET CG C 32.814 0.18 1 91 8 8 MET CE C 16.567 0.18 1 92 8 8 MET N N 112.693 0.12 1 93 9 9 LEU H H 8.003 0.008 1 94 9 9 LEU HA H 4.104 0.008 1 95 9 9 LEU HB2 H 1.087 0.008 2 96 9 9 LEU HB3 H 1.240 0.008 2 97 9 9 LEU HG H 1.398 0.008 1 98 9 9 LEU HD1 H 0.690 0.008 2 99 9 9 LEU HD2 H 0.583 0.008 2 100 9 9 LEU CA C 53.197 0.18 1 101 9 9 LEU CB C 42.065 0.18 1 102 9 9 LEU CG C 26.766 0.18 1 103 9 9 LEU CD1 C 26.092 0.18 2 104 9 9 LEU CD2 C 26.962 0.18 2 105 9 9 LEU N N 117.401 0.12 1 106 10 10 PRO HA H 4.499 0.008 1 107 10 10 PRO HB2 H 1.940 0.008 2 108 10 10 PRO HB3 H 2.402 0.008 2 109 10 10 PRO HG2 H 2.018 0.008 2 110 10 10 PRO HG3 H 2.097 0.008 2 111 10 10 PRO HD2 H 3.222 0.008 2 112 10 10 PRO HD3 H 3.729 0.008 2 113 10 10 PRO CA C 62.114 0.18 1 114 10 10 PRO CB C 31.669 0.18 1 115 10 10 PRO CG C 27.804 0.18 1 116 10 10 PRO CD C 49.560 0.18 1 117 11 11 GLN H H 9.111 0.008 1 118 11 11 GLN HA H 3.884 0.008 1 119 11 11 GLN HB2 H 2.107 0.008 2 120 11 11 GLN HB3 H 2.149 0.008 2 121 11 11 GLN HG2 H 2.458 0.008 2 122 11 11 GLN HG3 H 2.494 0.008 2 123 11 11 GLN HE21 H 7.649 0.008 2 124 11 11 GLN HE22 H 6.999 0.008 2 125 11 11 GLN CA C 58.968 0.18 1 126 11 11 GLN CB C 28.635 0.18 1 127 11 11 GLN CG C 34.286 0.18 1 128 11 11 GLN N N 124.939 0.12 1 129 11 11 GLN NE2 N 111.566 0.12 1 130 12 12 ALA H H 8.267 0.008 1 131 12 12 ALA HA H 4.283 0.008 1 132 12 12 ALA HB H 1.377 0.008 1 133 12 12 ALA CA C 52.044 0.18 1 134 12 12 ALA CB C 19.155 0.18 1 135 12 12 ALA N N 115.571 0.12 1 136 13 13 ALA H H 7.482 0.008 1 137 13 13 ALA HA H 4.522 0.008 1 138 13 13 ALA HB H 1.288 0.008 1 139 13 13 ALA C C 178.087 0.18 1 140 13 13 ALA CA C 51.933 0.18 1 141 13 13 ALA CB C 19.127 0.18 1 142 13 13 ALA N N 118.599 0.12 1 143 14 14 THR H H 9.776 0.008 1 144 14 14 THR HA H 4.666 0.008 1 145 14 14 THR HB H 4.681 0.008 1 146 14 14 THR HG2 H 1.335 0.008 1 147 14 14 THR C C 176.307 0.18 1 148 14 14 THR CA C 59.492 0.18 1 149 14 14 THR CB C 72.944 0.18 1 150 14 14 THR CG2 C 21.272 0.18 1 151 14 14 THR N N 113.678 0.12 1 152 15 15 GLU H H 10.146 0.008 1 153 15 15 GLU HA H 3.693 0.008 1 154 15 15 GLU HB2 H 1.902 0.008 2 155 15 15 GLU HB3 H 2.176 0.008 2 156 15 15 GLU HG2 H 2.161 0.008 2 157 15 15 GLU HG3 H 2.561 0.008 2 158 15 15 GLU C C 179.066 0.18 1 159 15 15 GLU CA C 61.151 0.18 1 160 15 15 GLU CB C 28.889 0.18 1 161 15 15 GLU CG C 37.878 0.18 1 162 15 15 GLU N N 119.605 0.12 1 163 16 16 ASP H H 8.231 0.008 1 164 16 16 ASP HA H 4.456 0.008 1 165 16 16 ASP HB2 H 2.651 0.008 2 166 16 16 ASP HB3 H 2.559 0.008 2 167 16 16 ASP C C 179.670 0.18 1 168 16 16 ASP CA C 57.444 0.18 1 169 16 16 ASP CB C 40.105 0.18 1 170 16 16 ASP N N 117.474 0.12 1 171 17 17 ASP H H 7.731 0.008 1 172 17 17 ASP HA H 4.512 0.008 1 173 17 17 ASP HB2 H 2.943 0.008 2 174 17 17 ASP HB3 H 2.572 0.008 2 175 17 17 ASP C C 179.549 0.18 1 176 17 17 ASP CA C 57.847 0.18 1 177 17 17 ASP CB C 41.114 0.18 1 178 17 17 ASP N N 120.300 0.12 1 179 18 18 ILE H H 7.370 0.008 1 180 18 18 ILE HA H 3.529 0.008 1 181 18 18 ILE HB H 1.923 0.008 1 182 18 18 ILE HG12 H 0.731 0.008 2 183 18 18 ILE HG13 H 1.671 0.008 2 184 18 18 ILE HG2 H 0.784 0.008 1 185 18 18 ILE HD1 H 0.610 0.008 1 186 18 18 ILE C C 178.112 0.18 1 187 18 18 ILE CA C 65.179 0.18 1 188 18 18 ILE CB C 37.794 0.18 1 189 18 18 ILE CG1 C 28.120 0.18 1 190 18 18 ILE CG2 C 17.812 0.18 1 191 18 18 ILE CD1 C 13.769 0.18 1 192 18 18 ILE N N 118.721 0.12 1 193 19 19 ARG H H 8.844 0.008 1 194 19 19 ARG HA H 3.937 0.008 1 195 19 19 ARG HB2 H 1.923 0.008 2 196 19 19 ARG HB3 H 1.969 0.008 2 197 19 19 ARG HG2 H 1.537 0.008 2 198 19 19 ARG HG3 H 1.771 0.008 2 199 19 19 ARG HD2 H 3.186 0.008 2 200 19 19 ARG HD3 H 3.253 0.008 2 201 19 19 ARG CA C 60.196 0.18 1 202 19 19 ARG CB C 30.006 0.18 1 203 19 19 ARG CG C 29.621 0.18 1 204 19 19 ARG CD C 43.039 0.18 1 205 19 19 ARG N N 118.476 0.12 1 206 20 20 GLY H H 8.381 0.008 1 207 20 20 GLY HA2 H 4.115 0.008 2 208 20 20 GLY HA3 H 3.998 0.008 2 209 20 20 GLY C C 176.842 0.18 1 210 20 20 GLY CA C 47.053 0.18 1 211 20 20 GLY N N 106.191 0.12 1 212 21 21 GLN H H 7.466 0.008 1 213 21 21 GLN HA H 4.334 0.008 1 214 21 21 GLN HB2 H 2.655 0.008 2 215 21 21 GLN HB3 H 2.338 0.008 2 216 21 21 GLN HG2 H 2.716 0.008 2 217 21 21 GLN HG3 H 2.404 0.008 2 218 21 21 GLN HE21 H 7.003 0.008 2 219 21 21 GLN HE22 H 7.842 0.008 2 220 21 21 GLN C C 178.817 0.18 1 221 21 21 GLN CA C 57.882 0.18 1 222 21 21 GLN CB C 27.999 0.18 1 223 21 21 GLN CG C 33.869 0.18 1 224 21 21 GLN N N 119.886 0.12 1 225 21 21 GLN NE2 N 112.913 0.12 1 226 22 22 LEU H H 7.824 0.008 1 227 22 22 LEU HA H 3.901 0.008 1 228 22 22 LEU HB2 H 1.479 0.008 2 229 22 22 LEU HB3 H 1.844 0.008 2 230 22 22 LEU HG H 1.304 0.008 1 231 22 22 LEU HD1 H 0.464 0.008 2 232 22 22 LEU HD2 H -0.408 0.008 2 233 22 22 LEU C C 178.963 0.18 1 234 22 22 LEU CA C 58.132 0.18 1 235 22 22 LEU CB C 40.934 0.18 1 236 22 22 LEU CG C 26.766 0.18 1 237 22 22 LEU CD1 C 26.650 0.18 2 238 22 22 LEU CD2 C 23.129 0.18 2 239 22 22 LEU N N 120.793 0.12 1 240 23 23 GLN H H 8.333 0.008 1 241 23 23 GLN HA H 4.158 0.008 1 242 23 23 GLN HB2 H 2.230 0.008 2 243 23 23 GLN HB3 H 2.187 0.008 2 244 23 23 GLN HG2 H 2.505 0.008 2 245 23 23 GLN HG3 H 2.460 0.008 2 246 23 23 GLN HE21 H 7.500 0.008 2 247 23 23 GLN HE22 H 6.883 0.008 2 248 23 23 GLN C C 180.302 0.18 1 249 23 23 GLN CA C 58.672 0.18 1 250 23 23 GLN CB C 28.401 0.18 1 251 23 23 GLN CG C 33.675 0.18 1 252 23 23 GLN N N 117.824 0.12 1 253 23 23 GLN NE2 N 111.028 0.12 1 254 24 24 SER H H 8.137 0.008 1 255 24 24 SER HA H 4.301 0.008 1 256 24 24 SER HB2 H 3.985 0.008 2 257 24 24 SER HB3 H 3.985 0.008 2 258 24 24 SER C C 175.573 0.18 1 259 24 24 SER CA C 60.629 0.18 1 260 24 24 SER CB C 62.664 0.18 1 261 24 24 SER N N 114.971 0.12 1 262 25 25 HIS H H 7.760 0.008 1 263 25 25 HIS HA H 4.825 0.008 1 264 25 25 HIS HB2 H 3.148 0.008 2 265 25 25 HIS HB3 H 3.685 0.008 2 266 25 25 HIS HD2 H 7.368 0.008 1 267 25 25 HIS C C 175.931 0.18 1 268 25 25 HIS CA C 55.941 0.18 1 269 25 25 HIS CB C 31.091 0.18 1 270 25 25 HIS CD2 C 117.442 0.18 1 271 25 25 HIS N N 117.727 0.12 1 272 26 26 GLY H H 8.012 0.008 1 273 26 26 GLY HA2 H 3.935 0.008 2 274 26 26 GLY HA3 H 4.047 0.008 2 275 26 26 GLY C C 174.632 0.18 1 276 26 26 GLY CA C 46.637 0.18 1 277 26 26 GLY N N 107.792 0.12 1 278 27 27 VAL H H 7.667 0.008 1 279 27 27 VAL HA H 4.422 0.008 1 280 27 27 VAL HB H 1.896 0.008 1 281 27 27 VAL HG1 H 0.805 0.008 2 282 27 27 VAL HG2 H 0.805 0.008 2 283 27 27 VAL CA C 60.117 0.18 1 284 27 27 VAL CB C 34.301 0.18 1 285 27 27 VAL CG1 C 20.520 0.18 2 286 27 27 VAL CG2 C 21.585 0.18 2 287 27 27 VAL N N 115.945 0.12 1 288 28 28 GLN H H 8.530 0.008 1 289 28 28 GLN HB2 H 1.928 0.008 2 290 28 28 GLN HB3 H 1.928 0.008 2 291 28 28 GLN HG2 H 2.298 0.008 2 292 28 28 GLN HG3 H 2.298 0.008 2 293 28 28 GLN HE21 H 6.834 0.008 2 294 28 28 GLN HE22 H 7.516 0.008 2 295 28 28 GLN CB C 30.332 0.18 1 296 28 28 GLN CG C 33.653 0.18 1 297 28 28 GLN N N 122.223 0.12 1 298 28 28 GLN NE2 N 111.845 0.12 1 299 29 29 ALA H H 8.459 0.008 1 300 29 29 ALA HA H 4.505 0.008 1 301 29 29 ALA HB H 0.525 0.008 1 302 29 29 ALA CA C 54.144 0.18 1 303 29 29 ALA CB C 20.111 0.18 1 304 29 29 ALA N N 125.912 0.12 1 305 30 30 ARG H H 8.779 0.008 1 306 30 30 ARG HA H 4.176 0.008 1 307 30 30 ARG HB2 H 1.701 0.008 2 308 30 30 ARG HB3 H 1.540 0.008 2 309 30 30 ARG HG2 H 1.493 0.008 2 310 30 30 ARG HG3 H 1.557 0.008 2 311 30 30 ARG HD2 H 3.139 0.008 2 312 30 30 ARG HD3 H 3.042 0.008 2 313 30 30 ARG C C 176.971 0.18 1 314 30 30 ARG CA C 57.634 0.18 1 315 30 30 ARG CB C 30.814 0.18 1 316 30 30 ARG CG C 26.911 0.18 1 317 30 30 ARG CD C 43.373 0.18 1 318 30 30 ARG N N 122.462 0.12 1 319 31 31 GLU H H 7.428 0.008 1 320 31 31 GLU HA H 4.457 0.008 1 321 31 31 GLU HB2 H 1.808 0.008 2 322 31 31 GLU HB3 H 1.879 0.008 2 323 31 31 GLU HG2 H 2.056 0.008 2 324 31 31 GLU HG3 H 2.193 0.008 2 325 31 31 GLU C C 173.947 0.18 1 326 31 31 GLU CA C 55.715 0.18 1 327 31 31 GLU CB C 33.794 0.18 1 328 31 31 GLU CG C 36.440 0.18 1 329 31 31 GLU N N 114.711 0.12 1 330 32 32 VAL H H 8.518 0.008 1 331 32 32 VAL HA H 4.549 0.008 1 332 32 32 VAL HB H 1.883 0.008 1 333 32 32 VAL HG1 H 0.709 0.008 2 334 32 32 VAL HG2 H 0.794 0.008 2 335 32 32 VAL C C 174.487 0.18 1 336 32 32 VAL CA C 61.392 0.18 1 337 32 32 VAL CB C 34.027 0.18 1 338 32 32 VAL CG1 C 21.322 0.18 2 339 32 32 VAL CG2 C 21.377 0.18 2 340 32 32 VAL N N 124.293 0.12 1 341 33 33 ARG H H 9.147 0.008 1 342 33 33 ARG HA H 4.838 0.008 1 343 33 33 ARG HB2 H 1.792 0.008 2 344 33 33 ARG HB3 H 1.792 0.008 2 345 33 33 ARG HG2 H 1.538 0.008 2 346 33 33 ARG HG3 H 1.538 0.008 2 347 33 33 ARG HD2 H 3.129 0.008 2 348 33 33 ARG HD3 H 3.129 0.008 2 349 33 33 ARG C C 174.820 0.18 1 350 33 33 ARG CA C 54.349 0.18 1 351 33 33 ARG CB C 32.959 0.18 1 352 33 33 ARG CG C 27.218 0.18 1 353 33 33 ARG CD C 43.459 0.18 1 354 33 33 ARG N N 125.840 0.12 1 355 34 34 LEU H H 9.254 0.008 1 356 34 34 LEU HA H 4.419 0.008 1 357 34 34 LEU HB2 H 1.871 0.008 2 358 34 34 LEU HB3 H 1.098 0.008 2 359 34 34 LEU HG H 1.421 0.008 1 360 34 34 LEU HD1 H 0.735 0.008 2 361 34 34 LEU HD2 H 0.799 0.008 2 362 34 34 LEU CA C 54.463 0.18 1 363 34 34 LEU CB C 44.101 0.18 1 364 34 34 LEU CG C 27.808 0.18 1 365 34 34 LEU CD1 C 24.772 0.18 2 366 34 34 LEU CD2 C 25.375 0.18 2 367 34 34 LEU N N 127.869 0.12 1 368 35 35 MET H H 8.115 0.008 1 369 35 35 MET HA H 2.988 0.008 1 370 35 35 MET HB2 H 1.456 0.008 2 371 35 35 MET HB3 H 1.602 0.008 2 372 35 35 MET HG2 H 2.149 0.008 2 373 35 35 MET HG3 H 2.278 0.008 2 374 35 35 MET HE H 2.060 0.008 1 375 35 35 MET C C 174.365 0.18 1 376 35 35 MET CA C 55.155 0.18 1 377 35 35 MET CB C 34.298 0.18 1 378 35 35 MET CG C 31.787 0.18 1 379 35 35 MET CE C 17.155 0.18 1 380 35 35 MET N N 119.778 0.12 1 381 36 36 ARG H H 8.608 0.008 1 382 36 36 ARG HB2 H 1.523 0.008 2 383 36 36 ARG HB3 H 1.426 0.008 2 384 36 36 ARG HG2 H 1.275 0.008 2 385 36 36 ARG HG3 H 1.538 0.008 2 386 36 36 ARG HD3 H 3.146 0.008 2 387 36 36 ARG C C 171.664 0.18 1 388 36 36 ARG CA C 56.159 0.18 1 389 36 36 ARG CB C 33.519 0.18 1 390 36 36 ARG CG C 28.217 0.18 1 391 36 36 ARG CD C 43.032 0.18 1 392 36 36 ARG N N 121.714 0.12 1 393 37 37 ASN H H 8.876 0.008 1 394 37 37 ASN HA H 4.667 0.008 1 395 37 37 ASN HB2 H 2.708 0.008 2 396 37 37 ASN HB3 H 3.017 0.008 2 397 37 37 ASN HD21 H 7.790 0.008 2 398 37 37 ASN HD22 H 7.203 0.008 2 399 37 37 ASN C C 173.323 0.18 1 400 37 37 ASN CA C 53.007 0.18 1 401 37 37 ASN CB C 39.221 0.18 1 402 37 37 ASN N N 121.222 0.12 1 403 37 37 ASN ND2 N 113.899 0.12 1 404 38 38 LYS H H 9.049 0.008 1 405 38 38 LYS HA H 4.120 0.008 1 406 38 38 LYS HB2 H 1.901 0.008 2 407 38 38 LYS HB3 H 1.901 0.008 2 408 38 38 LYS HG2 H 1.503 0.008 2 409 38 38 LYS HG3 H 1.503 0.008 2 410 38 38 LYS HD2 H 1.720 0.008 2 411 38 38 LYS HD3 H 1.720 0.008 2 412 38 38 LYS HE2 H 3.025 0.008 2 413 38 38 LYS HE3 H 3.025 0.008 2 414 38 38 LYS CA C 58.305 0.18 1 415 38 38 LYS CB C 32.350 0.18 1 416 38 38 LYS CG C 24.824 0.18 1 417 38 38 LYS CD C 29.004 0.18 1 418 38 38 LYS CE C 41.944 0.18 1 419 38 38 LYS N N 126.560 0.12 1 420 39 39 SER H H 8.440 0.008 1 421 39 39 SER HA H 4.446 0.008 1 422 39 39 SER HB2 H 3.969 0.008 2 423 39 39 SER HB3 H 3.969 0.008 2 424 39 39 SER C C 175.727 0.18 1 425 39 39 SER CA C 59.813 0.18 1 426 39 39 SER CB C 62.897 0.18 1 427 39 39 SER N N 113.501 0.12 1 428 40 40 SER H H 8.103 0.008 1 429 40 40 SER HA H 4.611 0.008 1 430 40 40 SER HB2 H 3.818 0.008 2 431 40 40 SER HB3 H 4.060 0.008 2 432 40 40 SER C C 176.331 0.18 1 433 40 40 SER CA C 57.666 0.18 1 434 40 40 SER CB C 65.195 0.18 1 435 40 40 SER N N 114.027 0.12 1 436 41 41 GLY H H 8.399 0.008 1 437 41 41 GLY HA2 H 4.230 0.008 2 438 41 41 GLY HA3 H 3.873 0.008 2 439 41 41 GLY C C 174.340 0.18 1 440 41 41 GLY CA C 45.644 0.18 1 441 41 41 GLY N N 111.485 0.12 1 442 42 42 GLN H H 7.973 0.008 1 443 42 42 GLN HA H 4.281 0.008 1 444 42 42 GLN HB2 H 2.085 0.008 2 445 42 42 GLN HB3 H 1.917 0.008 2 446 42 42 GLN HG2 H 2.404 0.008 2 447 42 42 GLN HG3 H 2.404 0.008 2 448 42 42 GLN HE21 H 6.932 0.008 2 449 42 42 GLN HE22 H 7.573 0.008 2 450 42 42 GLN C C 176.606 0.18 1 451 42 42 GLN CA C 55.395 0.18 1 452 42 42 GLN CB C 29.757 0.18 1 453 42 42 GLN CG C 33.655 0.18 1 454 42 42 GLN N N 118.745 0.12 1 455 42 42 GLN NE2 N 112.158 0.12 1 456 43 43 SER H H 8.977 0.008 1 457 43 43 SER HA H 4.341 0.008 1 458 43 43 SER HB2 H 3.907 0.008 2 459 43 43 SER HB3 H 4.091 0.008 2 460 43 43 SER C C 176.599 0.18 1 461 43 43 SER CA C 58.335 0.18 1 462 43 43 SER CB C 63.807 0.18 1 463 43 43 SER N N 116.517 0.12 1 464 44 44 ARG H H 9.012 0.008 1 465 44 44 ARG HA H 4.495 0.008 1 466 44 44 ARG HB2 H 1.222 0.008 2 467 44 44 ARG HB3 H 2.257 0.008 2 468 44 44 ARG HG2 H 1.558 0.008 2 469 44 44 ARG HG3 H 1.709 0.008 2 470 44 44 ARG HD2 H 3.127 0.008 2 471 44 44 ARG HD3 H 2.898 0.008 2 472 44 44 ARG C C 177.596 0.18 1 473 44 44 ARG CA C 55.765 0.18 1 474 44 44 ARG CB C 31.307 0.18 1 475 44 44 ARG CG C 27.439 0.18 1 476 44 44 ARG CD C 43.723 0.18 1 477 44 44 ARG N N 123.834 0.12 1 478 45 45 GLY H H 9.043 0.008 1 479 45 45 GLY HA2 H 4.164 0.008 2 480 45 45 GLY HA3 H 3.692 0.008 2 481 45 45 GLY C C 172.606 0.18 1 482 45 45 GLY CA C 45.804 0.18 1 483 45 45 GLY N N 106.711 0.12 1 484 46 46 PHE H H 7.288 0.008 1 485 46 46 PHE HA H 5.477 0.008 1 486 46 46 PHE HB2 H 3.169 0.008 2 487 46 46 PHE HB3 H 3.006 0.008 2 488 46 46 PHE HD1 H 6.872 0.008 3 489 46 46 PHE HD2 H 6.872 0.008 3 490 46 46 PHE HE1 H 7.296 0.008 3 491 46 46 PHE HE2 H 7.296 0.008 3 492 46 46 PHE C C 173.114 0.18 1 493 46 46 PHE CA C 54.660 0.18 1 494 46 46 PHE CB C 41.916 0.18 1 495 46 46 PHE CD1 C 130.404 0.18 3 496 46 46 PHE CD2 C 130.404 0.18 3 497 46 46 PHE CE1 C 129.386 0.18 3 498 46 46 PHE CE2 C 129.386 0.18 3 499 46 46 PHE N N 112.805 0.12 1 500 47 47 ALA H H 8.489 0.008 1 501 47 47 ALA HA H 5.133 0.008 1 502 47 47 ALA HB H 1.152 0.008 1 503 47 47 ALA C C 174.783 0.18 1 504 47 47 ALA CA C 49.726 0.18 1 505 47 47 ALA CB C 25.180 0.18 1 506 47 47 ALA N N 118.618 0.12 1 507 48 48 PHE H H 9.047 0.008 1 508 48 48 PHE HA H 5.426 0.008 1 509 48 48 PHE HB2 H 2.906 0.008 2 510 48 48 PHE HB3 H 2.783 0.008 2 511 48 48 PHE HD1 H 7.117 0.008 3 512 48 48 PHE HD2 H 7.117 0.008 3 513 48 48 PHE HE1 H 7.440 0.008 3 514 48 48 PHE HE2 H 7.440 0.008 3 515 48 48 PHE HZ H 7.245 0.008 1 516 48 48 PHE C C 174.883 0.18 1 517 48 48 PHE CA C 56.721 0.18 1 518 48 48 PHE CB C 42.554 0.18 1 519 48 48 PHE CD1 C 129.488 0.18 3 520 48 48 PHE CD2 C 129.488 0.18 3 521 48 48 PHE CE1 C 129.439 0.18 3 522 48 48 PHE CE2 C 129.435 0.18 3 523 48 48 PHE CZ C 127.700 0.18 1 524 48 48 PHE N N 116.577 0.12 1 525 49 49 VAL H H 9.764 0.008 1 526 49 49 VAL HA H 4.495 0.008 1 527 49 49 VAL HB H 2.245 0.008 1 528 49 49 VAL HG1 H 0.930 0.008 2 529 49 49 VAL HG2 H 0.184 0.008 2 530 49 49 VAL C C 173.924 0.18 1 531 49 49 VAL CA C 61.187 0.18 1 532 49 49 VAL CB C 33.523 0.18 1 533 49 49 VAL CG1 C 20.918 0.18 2 534 49 49 VAL CG2 C 23.088 0.18 2 535 49 49 VAL N N 123.523 0.12 1 536 50 50 GLU H H 8.805 0.008 1 537 50 50 GLU HA H 4.968 0.008 1 538 50 50 GLU HB2 H 1.900 0.008 2 539 50 50 GLU HB3 H 1.948 0.008 2 540 50 50 GLU HG2 H 1.948 0.008 2 541 50 50 GLU HG3 H 2.200 0.008 2 542 50 50 GLU C C 175.514 0.18 1 543 50 50 GLU CA C 54.680 0.18 1 544 50 50 GLU CB C 31.885 0.18 1 545 50 50 GLU CG C 36.033 0.18 1 546 50 50 GLU N N 126.369 0.12 1 547 51 51 PHE H H 9.202 0.008 1 548 51 51 PHE HA H 4.700 0.008 1 549 51 51 PHE HB2 H 3.588 0.008 2 550 51 51 PHE HB3 H 3.163 0.008 2 551 51 51 PHE HD1 H 7.523 0.008 3 552 51 51 PHE HD2 H 7.523 0.008 3 553 51 51 PHE HE1 H 6.909 0.008 3 554 51 51 PHE HE2 H 6.909 0.008 3 555 51 51 PHE HZ H 6.273 0.008 1 556 51 51 PHE C C 176.349 0.18 1 557 51 51 PHE CA C 57.777 0.18 1 558 51 51 PHE CB C 41.013 0.18 1 559 51 51 PHE CD1 C 130.165 0.18 3 560 51 51 PHE CD2 C 130.165 0.18 3 561 51 51 PHE CE1 C 128.381 0.18 3 562 51 51 PHE CE2 C 128.381 0.18 3 563 51 51 PHE CZ C 127.774 0.18 1 564 51 51 PHE N N 124.346 0.12 1 565 52 52 SER H H 9.404 0.008 1 566 52 52 SER HA H 4.259 0.008 1 567 52 52 SER HB2 H 3.625 0.008 2 568 52 52 SER HB3 H 3.778 0.008 2 569 52 52 SER C C 174.418 0.18 1 570 52 52 SER CA C 61.019 0.18 1 571 52 52 SER CB C 62.689 0.18 1 572 52 52 SER N N 117.163 0.12 1 573 53 53 HIS H H 8.344 0.008 1 574 53 53 HIS HA H 5.082 0.008 1 575 53 53 HIS HB2 H 3.121 0.008 2 576 53 53 HIS HB3 H 3.391 0.008 2 577 53 53 HIS HD2 H 7.352 0.008 1 578 53 53 HIS CA C 53.920 0.18 1 579 53 53 HIS CB C 31.362 0.18 1 580 53 53 HIS CD2 C 118.395 0.18 1 581 53 53 HIS N N 115.694 0.12 1 582 55 55 GLN H H 9.318 0.008 1 583 55 55 GLN HA H 4.160 0.008 1 584 55 55 GLN HB2 H 2.059 0.008 2 585 55 55 GLN HB3 H 2.090 0.008 2 586 55 55 GLN HG2 H 2.458 0.008 2 587 55 55 GLN HG3 H 2.458 0.008 2 588 55 55 GLN HE21 H 7.626 0.008 2 589 55 55 GLN HE22 H 6.938 0.008 2 590 55 55 GLN C C 178.319 0.18 1 591 55 55 GLN CA C 58.581 0.18 1 592 55 55 GLN CB C 27.763 0.18 1 593 55 55 GLN CG C 33.977 0.18 1 594 55 55 GLN N N 114.869 0.12 1 595 55 55 GLN NE2 N 111.852 0.12 1 596 56 56 ASP H H 7.317 0.008 1 597 56 56 ASP HA H 4.431 0.008 1 598 56 56 ASP HB2 H 2.961 0.008 2 599 56 56 ASP HB3 H 2.642 0.008 2 600 56 56 ASP C C 177.264 0.18 1 601 56 56 ASP CA C 56.687 0.18 1 602 56 56 ASP CB C 40.770 0.18 1 603 56 56 ASP N N 118.066 0.12 1 604 57 57 ALA H H 6.854 0.008 1 605 57 57 ALA HA H 3.002 0.008 1 606 57 57 ALA HB H 1.640 0.008 1 607 57 57 ALA C C 179.680 0.18 1 608 57 57 ALA CA C 54.739 0.18 1 609 57 57 ALA CB C 19.064 0.18 1 610 57 57 ALA N N 122.367 0.12 1 611 58 58 THR H H 8.326 0.008 1 612 58 58 THR HA H 4.374 0.008 1 613 58 58 THR HB H 4.146 0.008 1 614 58 58 THR HG2 H 1.334 0.008 1 615 58 58 THR C C 177.296 0.18 1 616 58 58 THR CA C 65.121 0.18 1 617 58 58 THR CB C 68.826 0.18 1 618 58 58 THR CG2 C 21.787 0.18 1 619 58 58 THR N N 111.238 0.12 1 620 59 59 ARG H H 8.023 0.008 1 621 59 59 ARG HA H 4.104 0.008 1 622 59 59 ARG HB2 H 2.052 0.008 2 623 59 59 ARG HB3 H 1.969 0.008 2 624 59 59 ARG HG2 H 1.845 0.008 2 625 59 59 ARG HG3 H 1.721 0.008 2 626 59 59 ARG HD2 H 3.293 0.008 2 627 59 59 ARG C C 179.175 0.18 1 628 59 59 ARG CA C 59.260 0.18 1 629 59 59 ARG CB C 30.033 0.18 1 630 59 59 ARG CG C 27.637 0.18 1 631 59 59 ARG CD C 43.530 0.18 1 632 59 59 ARG N N 120.821 0.12 1 633 60 60 TRP H H 7.845 0.008 1 634 60 60 TRP HA H 4.311 0.008 1 635 60 60 TRP HB2 H 3.227 0.008 2 636 60 60 TRP HB3 H 3.043 0.008 2 637 60 60 TRP HD1 H 7.070 0.008 1 638 60 60 TRP HE1 H 10.928 0.008 1 639 60 60 TRP HE3 H 7.507 0.008 1 640 60 60 TRP HZ2 H 7.166 0.008 1 641 60 60 TRP HZ3 H 6.885 0.008 1 642 60 60 TRP HH2 H 6.892 0.008 1 643 60 60 TRP CA C 60.560 0.18 1 644 60 60 TRP CB C 28.317 0.18 1 645 60 60 TRP CD1 C 124.009 0.18 1 646 60 60 TRP CE3 C 118.874 0.18 1 647 60 60 TRP CZ2 C 113.077 0.18 1 648 60 60 TRP CZ3 C 118.366 0.18 1 649 60 60 TRP CH2 C 121.307 0.18 1 650 60 60 TRP N N 120.202 0.12 1 651 60 60 TRP NE1 N 131.100 0.12 1 652 61 61 MET H H 8.227 0.008 1 653 61 61 MET HA H 3.548 0.008 1 654 61 61 MET HB2 H 1.582 0.008 2 655 61 61 MET HB3 H 2.128 0.008 2 656 61 61 MET HG2 H 2.010 0.008 2 657 61 61 MET HG3 H 2.010 0.008 2 658 61 61 MET HE H 0.804 0.008 1 659 61 61 MET C C 179.403 0.18 1 660 61 61 MET CA C 58.430 0.18 1 661 61 61 MET CB C 33.321 0.18 1 662 61 61 MET CG C 31.724 0.18 1 663 61 61 MET CE C 15.415 0.18 1 664 61 61 MET N N 117.070 0.12 1 665 62 62 GLU H H 8.757 0.008 1 666 62 62 GLU HA H 4.052 0.008 1 667 62 62 GLU HB2 H 2.068 0.008 2 668 62 62 GLU HB3 H 2.120 0.008 2 669 62 62 GLU HG2 H 2.511 0.008 2 670 62 62 GLU HG3 H 2.511 0.008 2 671 62 62 GLU C C 181.125 0.18 1 672 62 62 GLU CA C 58.573 0.18 1 673 62 62 GLU CB C 28.932 0.18 1 674 62 62 GLU CG C 36.344 0.18 1 675 62 62 GLU N N 117.320 0.12 1 676 63 63 ALA H H 8.552 0.008 1 677 63 63 ALA HA H 4.178 0.008 1 678 63 63 ALA HB H 1.497 0.008 1 679 63 63 ALA C C 178.968 0.18 1 680 63 63 ALA CA C 54.500 0.18 1 681 63 63 ALA CB C 18.451 0.18 1 682 63 63 ALA N N 122.118 0.12 1 683 64 64 ASN H H 6.670 0.008 1 684 64 64 ASN HA H 4.651 0.008 1 685 64 64 ASN HB2 H 1.791 0.008 2 686 64 64 ASN HB3 H 3.230 0.008 2 687 64 64 ASN HD21 H 6.065 0.008 2 688 64 64 ASN HD22 H 7.123 0.008 2 689 64 64 ASN CA C 53.258 0.18 1 690 64 64 ASN CB C 40.313 0.18 1 691 64 64 ASN N N 110.926 0.12 1 692 64 64 ASN ND2 N 114.516 0.12 1 693 65 65 GLN H H 7.924 0.008 1 694 65 65 GLN HA H 3.906 0.008 1 695 65 65 GLN HB2 H 2.134 0.008 2 696 65 65 GLN HB3 H 2.134 0.008 2 697 65 65 GLN HG2 H 2.241 0.008 2 698 65 65 GLN HG3 H 2.279 0.008 2 699 65 65 GLN HE21 H 6.783 0.008 2 700 65 65 GLN HE22 H 7.586 0.008 2 701 65 65 GLN C C 175.875 0.18 1 702 65 65 GLN CA C 57.285 0.18 1 703 65 65 GLN CB C 26.116 0.18 1 704 65 65 GLN CG C 34.003 0.18 1 705 65 65 GLN N N 116.841 0.12 1 706 65 65 GLN NE2 N 112.164 0.12 1 707 66 66 HIS H H 8.357 0.008 1 708 66 66 HIS HA H 4.018 0.008 1 709 66 66 HIS HB2 H 3.495 0.008 2 710 66 66 HIS HB3 H 3.366 0.008 2 711 66 66 HIS HD2 H 6.886 0.008 1 712 66 66 HIS HE1 H 7.180 0.008 1 713 66 66 HIS C C 173.889 0.18 1 714 66 66 HIS CA C 57.146 0.18 1 715 66 66 HIS CB C 26.461 0.18 1 716 66 66 HIS CD2 C 116.660 0.18 1 717 67 67 SER H H 7.668 0.008 1 718 67 67 SER HA H 5.005 0.008 1 719 67 67 SER HB2 H 3.575 0.008 2 720 67 67 SER HB3 H 3.613 0.008 2 721 67 67 SER C C 171.719 0.18 1 722 67 67 SER CA C 57.620 0.18 1 723 67 67 SER CB C 65.164 0.18 1 724 67 67 SER N N 115.496 0.12 1 725 68 68 LEU H H 8.870 0.008 1 726 68 68 LEU HA H 4.679 0.008 1 727 68 68 LEU HB2 H 1.361 0.008 2 728 68 68 LEU HB3 H 1.361 0.008 2 729 68 68 LEU HG H 1.443 0.008 1 730 68 68 LEU HD1 H 0.763 0.008 2 731 68 68 LEU HD2 H 0.668 0.008 2 732 68 68 LEU C C 175.783 0.18 1 733 68 68 LEU CA C 52.686 0.18 1 734 68 68 LEU CB C 46.117 0.18 1 735 68 68 LEU CG C 26.324 0.18 1 736 68 68 LEU CD1 C 26.820 0.18 2 737 68 68 LEU CD2 C 23.380 0.18 2 738 68 68 LEU N N 121.784 0.12 1 739 69 69 ASN H H 8.814 0.008 1 740 69 69 ASN HA H 5.335 0.008 1 741 69 69 ASN HB2 H 2.633 0.008 2 742 69 69 ASN HB3 H 2.553 0.008 2 743 69 69 ASN HD21 H 6.604 0.008 2 744 69 69 ASN HD22 H 7.373 0.008 2 745 69 69 ASN C C 175.433 0.18 1 746 69 69 ASN CA C 52.053 0.18 1 747 69 69 ASN CB C 39.740 0.18 1 748 69 69 ASN N N 121.169 0.12 1 749 69 69 ASN ND2 N 110.957 0.12 1 750 70 70 ILE H H 8.666 0.008 1 751 70 70 ILE HA H 4.338 0.008 1 752 70 70 ILE HB H 1.622 0.008 1 753 70 70 ILE HG12 H 1.333 0.008 2 754 70 70 ILE HG13 H 1.100 0.008 2 755 70 70 ILE HG2 H 0.777 0.008 1 756 70 70 ILE HD1 H 0.704 0.008 1 757 70 70 ILE C C 174.972 0.18 1 758 70 70 ILE CA C 59.046 0.18 1 759 70 70 ILE CB C 39.594 0.18 1 760 70 70 ILE CG1 C 26.759 0.18 1 761 70 70 ILE CG2 C 17.095 0.18 1 762 70 70 ILE CD1 C 12.137 0.18 1 763 70 70 ILE N N 123.143 0.12 1 764 71 71 LEU H H 9.455 0.008 1 765 71 71 LEU HA H 3.949 0.008 1 766 71 71 LEU HB2 H 1.704 0.008 2 767 71 71 LEU HB3 H 1.825 0.008 2 768 71 71 LEU HG H 1.531 0.008 1 769 71 71 LEU HD1 H 0.893 0.008 2 770 71 71 LEU HD2 H 0.810 0.008 2 771 71 71 LEU C C 177.516 0.18 1 772 71 71 LEU CA C 55.122 0.18 1 773 71 71 LEU CB C 39.364 0.18 1 774 71 71 LEU CG C 27.123 0.18 1 775 71 71 LEU CD1 C 22.324 0.18 2 776 71 71 LEU CD2 C 25.403 0.18 2 777 71 71 LEU N N 124.509 0.12 1 778 72 72 GLY H H 8.277 0.008 1 779 72 72 GLY HA2 H 3.687 0.008 2 780 72 72 GLY HA3 H 4.138 0.008 2 781 72 72 GLY CA C 45.622 0.18 1 782 72 72 GLY N N 103.495 0.12 1 783 73 73 GLN H H 7.942 0.008 1 784 73 73 GLN HA H 4.594 0.008 1 785 73 73 GLN HB2 H 1.931 0.008 2 786 73 73 GLN HB3 H 2.226 0.008 2 787 73 73 GLN HG2 H 2.434 0.008 2 788 73 73 GLN HG3 H 2.314 0.008 2 789 73 73 GLN HE21 H 7.795 0.008 2 790 73 73 GLN HE22 H 7.050 0.008 2 791 73 73 GLN CA C 53.365 0.18 1 792 73 73 GLN CB C 31.230 0.18 1 793 73 73 GLN CG C 33.712 0.18 1 794 73 73 GLN N N 120.834 0.12 1 795 73 73 GLN NE2 N 113.593 0.12 1 796 74 74 LYS H H 8.396 0.008 1 797 74 74 LYS HA H 4.613 0.008 1 798 74 74 LYS HB2 H 1.700 0.008 2 799 74 74 LYS HB3 H 1.741 0.008 2 800 74 74 LYS HG2 H 1.430 0.008 2 801 74 74 LYS HG3 H 1.292 0.008 2 802 74 74 LYS HD2 H 1.640 0.008 2 803 74 74 LYS HD3 H 1.640 0.008 2 804 74 74 LYS HE2 H 2.955 0.008 2 805 74 74 LYS HE3 H 2.955 0.008 2 806 74 74 LYS C C 176.266 0.18 1 807 74 74 LYS CA C 56.633 0.18 1 808 74 74 LYS CB C 32.247 0.18 1 809 74 74 LYS CG C 24.735 0.18 1 810 74 74 LYS CD C 29.103 0.18 1 811 74 74 LYS CE C 41.759 0.18 1 812 74 74 LYS N N 123.321 0.12 1 813 75 75 VAL H H 9.162 0.008 1 814 75 75 VAL HA H 4.468 0.008 1 815 75 75 VAL HB H 1.924 0.008 1 816 75 75 VAL HG1 H 0.913 0.008 2 817 75 75 VAL HG2 H 0.938 0.008 2 818 75 75 VAL C C 175.962 0.18 1 819 75 75 VAL CA C 60.660 0.18 1 820 75 75 VAL CB C 34.894 0.18 1 821 75 75 VAL CG1 C 21.760 0.18 2 822 75 75 VAL CG2 C 21.913 0.18 2 823 75 75 VAL N N 129.132 0.12 1 824 76 76 SER H H 8.170 0.008 1 825 76 76 SER HA H 4.628 0.008 1 826 76 76 SER HB2 H 4.002 0.008 2 827 76 76 SER HB3 H 3.818 0.008 2 828 76 76 SER C C 173.163 0.18 1 829 76 76 SER CA C 57.676 0.18 1 830 76 76 SER CB C 64.183 0.18 1 831 76 76 SER N N 120.884 0.12 1 832 77 77 MET H H 7.189 0.008 1 833 77 77 MET HA H 5.023 0.008 1 834 77 77 MET HB2 H 1.885 0.008 2 835 77 77 MET HB3 H 1.552 0.008 2 836 77 77 MET HG2 H 1.674 0.008 2 837 77 77 MET HG3 H 1.208 0.008 2 838 77 77 MET HE H 0.496 0.008 1 839 77 77 MET C C 175.582 0.18 1 840 77 77 MET CA C 53.744 0.18 1 841 77 77 MET CB C 31.202 0.18 1 842 77 77 MET CG C 37.578 0.18 1 843 77 77 MET CE C 16.577 0.18 1 844 77 77 MET N N 116.658 0.12 1 845 78 78 HIS H H 8.773 0.008 1 846 78 78 HIS HA H 4.620 0.008 1 847 78 78 HIS HB2 H 3.255 0.008 2 848 78 78 HIS HB3 H 2.702 0.008 2 849 78 78 HIS HD2 H 6.652 0.008 1 850 78 78 HIS CA C 54.280 0.18 1 851 78 78 HIS CB C 33.116 0.18 1 852 78 78 HIS CD2 C 123.216 0.18 1 853 78 78 HIS N N 118.935 0.12 1 854 79 79 TYR H H 9.173 0.008 1 855 79 79 TYR HA H 4.936 0.008 1 856 79 79 TYR HB2 H 3.144 0.008 2 857 79 79 TYR HB3 H 2.816 0.008 2 858 79 79 TYR HD1 H 7.380 0.008 3 859 79 79 TYR HD2 H 7.380 0.008 3 860 79 79 TYR HE1 H 6.846 0.008 3 861 79 79 TYR HE2 H 6.846 0.008 3 862 79 79 TYR CA C 59.776 0.18 1 863 79 79 TYR CB C 38.656 0.18 1 864 79 79 TYR CD1 C 131.723 0.18 3 865 79 79 TYR CD2 C 131.727 0.18 3 866 79 79 TYR CE1 C 116.679 0.18 3 867 79 79 TYR CE2 C 116.679 0.18 3 868 79 79 TYR N N 123.286 0.12 1 869 80 80 SER H H 8.816 0.008 1 870 80 80 SER HA H 4.774 0.008 1 871 80 80 SER HB2 H 3.777 0.008 2 872 80 80 SER HB3 H 3.812 0.008 2 873 80 80 SER CA C 59.794 0.18 1 874 80 80 SER CB C 64.856 0.18 1 875 80 80 SER N N 116.971 0.12 1 876 81 81 ASP H H 8.616 0.008 1 877 81 81 ASP HA H 4.934 0.008 1 878 81 81 ASP HB2 H 2.774 0.008 2 879 81 81 ASP HB3 H 2.527 0.008 2 880 81 81 ASP CA C 52.846 0.18 1 881 81 81 ASP CB C 40.937 0.18 1 882 81 81 ASP N N 126.144 0.12 1 883 82 82 PRO HA H 4.341 0.008 1 884 82 82 PRO HB2 H 2.265 0.008 2 885 82 82 PRO HB3 H 1.923 0.008 2 886 82 82 PRO HG2 H 2.033 0.008 2 887 82 82 PRO HG3 H 2.013 0.008 2 888 82 82 PRO HD2 H 3.848 0.008 2 889 82 82 PRO HD3 H 3.780 0.008 2 890 82 82 PRO CA C 63.397 0.18 1 891 82 82 PRO CB C 31.988 0.18 1 892 82 82 PRO CG C 27.320 0.18 1 893 82 82 PRO CD C 50.304 0.18 1 894 83 83 LYS H H 8.283 0.008 1 895 83 83 LYS HA H 4.510 0.008 1 896 83 83 LYS HB2 H 1.647 0.008 2 897 83 83 LYS HB3 H 1.745 0.008 2 898 83 83 LYS HG2 H 1.357 0.008 2 899 83 83 LYS HG3 H 1.357 0.008 2 900 83 83 LYS HD2 H 1.647 0.008 2 901 83 83 LYS HD3 H 1.647 0.008 2 902 83 83 LYS HE3 H 2.953 0.008 2 903 83 83 LYS CA C 53.831 0.18 1 904 83 83 LYS CB C 32.353 0.18 1 905 83 83 LYS CG C 24.501 0.18 1 906 83 83 LYS CD C 28.936 0.18 1 907 83 83 LYS CE C 41.896 0.18 1 908 83 83 LYS N N 120.620 0.12 1 909 84 84 PRO HA H 4.333 0.008 1 910 84 84 PRO HB2 H 2.191 0.008 2 911 84 84 PRO HB3 H 1.808 0.008 2 912 84 84 PRO HG2 H 1.898 0.008 2 913 84 84 PRO HG3 H 1.898 0.008 2 914 84 84 PRO HD2 H 3.670 0.008 2 915 84 84 PRO HD3 H 3.519 0.008 2 916 84 84 PRO CA C 62.995 0.18 1 917 84 84 PRO CB C 32.018 0.18 1 918 84 84 PRO CG C 27.187 0.18 1 919 84 84 PRO CD C 50.090 0.18 1 920 85 85 LYS H H 8.381 0.008 1 921 85 85 LYS HA H 4.285 0.008 1 922 85 85 LYS HB2 H 1.801 0.008 2 923 85 85 LYS HB3 H 1.707 0.008 2 924 85 85 LYS CA C 55.948 0.18 1 925 85 85 LYS CB C 32.472 0.18 1 926 85 85 LYS CG C 24.739 0.18 1 927 85 85 LYS CE C 41.897 0.18 1 928 85 85 LYS N N 120.823 0.12 1 929 86 86 ILE H H 8.079 0.008 1 930 86 86 ILE HA H 4.102 0.008 1 931 86 86 ILE HB H 1.843 0.008 1 932 86 86 ILE HG12 H 1.398 0.008 2 933 86 86 ILE HG13 H 1.137 0.008 2 934 86 86 ILE HG2 H 0.858 0.008 1 935 86 86 ILE HD1 H 0.821 0.008 1 936 86 86 ILE C C 176.041 0.18 1 937 86 86 ILE CA C 60.953 0.18 1 938 86 86 ILE CB C 38.722 0.18 1 939 86 86 ILE CG1 C 27.112 0.18 1 940 86 86 ILE CG2 C 17.403 0.18 1 941 86 86 ILE CD1 C 12.918 0.18 1 942 86 86 ILE N N 120.360 0.12 1 943 87 87 ASN H H 8.248 0.008 1 944 87 87 ASN HA H 4.594 0.008 1 945 87 87 ASN HB2 H 2.666 0.008 2 946 87 87 ASN HB3 H 2.700 0.008 2 947 87 87 ASN HD21 H 6.892 0.008 2 948 87 87 ASN HD22 H 7.501 0.008 2 949 87 87 ASN C C 175.538 0.18 1 950 87 87 ASN CA C 53.100 0.18 1 951 87 87 ASN CB C 38.486 0.18 1 952 87 87 ASN N N 120.781 0.12 1 953 87 87 ASN ND2 N 112.251 0.12 1 954 88 88 GLU H H 8.308 0.008 1 955 88 88 GLU HA H 4.117 0.008 1 956 88 88 GLU HB2 H 1.801 0.008 2 957 88 88 GLU HB3 H 1.875 0.008 2 958 88 88 GLU HG2 H 2.166 0.008 2 959 88 88 GLU HG3 H 2.166 0.008 2 960 88 88 GLU C C 176.544 0.18 1 961 88 88 GLU CA C 56.689 0.18 1 962 88 88 GLU CB C 29.867 0.18 1 963 88 88 GLU CG C 36.162 0.18 1 964 88 88 GLU N N 120.312 0.12 1 965 89 89 ASP H H 8.251 0.008 1 966 89 89 ASP HA H 4.572 0.008 1 967 89 89 ASP HB2 H 2.615 0.008 2 968 89 89 ASP HB3 H 2.577 0.008 2 969 89 89 ASP C C 176.214 0.18 1 970 89 89 ASP CA C 54.299 0.18 1 971 89 89 ASP CB C 40.903 0.18 1 972 89 89 ASP N N 119.372 0.12 1 973 90 90 TRP H H 7.906 0.008 1 974 90 90 TRP HA H 4.704 0.008 1 975 90 90 TRP HB2 H 3.213 0.008 2 976 90 90 TRP HB3 H 3.306 0.008 2 977 90 90 TRP HD1 H 7.179 0.008 1 978 90 90 TRP HE1 H 10.120 0.008 1 979 90 90 TRP HE3 H 7.558 0.008 1 980 90 90 TRP HZ2 H 7.405 0.008 1 981 90 90 TRP HZ3 H 7.056 0.008 1 982 90 90 TRP HH2 H 7.138 0.008 1 983 90 90 TRP C C 175.397 0.18 1 984 90 90 TRP CA C 56.397 0.18 1 985 90 90 TRP CB C 29.410 0.18 1 986 90 90 TRP CD1 C 124.705 0.18 1 987 90 90 TRP CE3 C 118.897 0.18 1 988 90 90 TRP CZ2 C 112.535 0.18 1 989 90 90 TRP CZ3 C 119.862 0.18 1 990 90 90 TRP CH2 C 122.469 0.18 1 991 90 90 TRP N N 119.715 0.12 1 992 90 90 TRP NE1 N 128.767 0.12 1 993 91 91 LEU H H 7.545 0.008 1 994 91 91 LEU HA H 4.170 0.008 1 995 91 91 LEU HB2 H 1.525 0.008 2 996 91 91 LEU HB3 H 1.525 0.008 2 997 91 91 LEU HG H 1.436 0.008 1 998 91 91 LEU HD1 H 0.847 0.008 2 999 91 91 LEU HD2 H 0.809 0.008 2 1000 91 91 LEU CA C 56.547 0.18 1 1001 91 91 LEU CB C 43.401 0.18 1 1002 91 91 LEU CG C 26.939 0.18 1 1003 91 91 LEU CD1 C 25.228 0.18 2 1004 91 91 LEU CD2 C 23.566 0.18 2 1005 91 91 LEU N N 127.427 0.12 1 stop_ save_