data_11364 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the first SURP domain of human splicing factor SF3a120 ; _BMRB_accession_number 11364 _BMRB_flat_file_name bmr11364.str _Entry_type original _Submission_date 2010-09-07 _Accession_date 2010-09-07 _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 Kuwasako K. . . 2 He F. . . 3 Inoue M. . . 4 Tanaka A. . . 5 Sugano S. . . 6 Guntert P. . . 7 Muto Y. . . 8 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 405 "13C chemical shifts" 291 "15N chemical shifts" 66 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-09-07 original author . stop_ _Original_release_date 2011-09-07 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structures of the SURP domains and the subunit-assembly mechanism within the splicing factor SF3a complex in 17S U2 snRNP ; _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 Kuwasako K. . . 2 He F. . . 3 Inoue M. . . 4 Tanaka A. . . 5 Sugano S. . . 6 Guntert P. . . 7 Muto Y. . . 8 Yokoyama S. . . stop_ _Journal_abbreviation Structure _Journal_name_full Structure _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 'Splicing factor 3 subunit 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'SURP domain' $entity_1 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_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'SURP domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 64 _Mol_residue_sequence ; GEVRNIVDKTASFVARNGPE FEARIRQNEINNPKFNFLNP NDPYHAYYRHKVSEFKEGKA QEPS ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 GLU 3 VAL 4 ARG 5 ASN 6 ILE 7 VAL 8 ASP 9 LYS 10 THR 11 ALA 12 SER 13 PHE 14 VAL 15 ALA 16 ARG 17 ASN 18 GLY 19 PRO 20 GLU 21 PHE 22 GLU 23 ALA 24 ARG 25 ILE 26 ARG 27 GLN 28 ASN 29 GLU 30 ILE 31 ASN 32 ASN 33 PRO 34 LYS 35 PHE 36 ASN 37 PHE 38 LEU 39 ASN 40 PRO 41 ASN 42 ASP 43 PRO 44 TYR 45 HIS 46 ALA 47 TYR 48 TYR 49 ARG 50 HIS 51 LYS 52 VAL 53 SER 54 GLU 55 PHE 56 LYS 57 GLU 58 GLY 59 LYS 60 ALA 61 GLN 62 GLU 63 PRO 64 SER 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 2DT6 "Solution Structure Of The First Surp Domain Of Human Splicing Factor Sf3a120" 100.00 64 100.00 100.00 9.84e-38 REF XP_005961296 "PREDICTED: LOW QUALITY PROTEIN: splicing factor 3A subunit 1 [Pantholops hodgsonii]" 98.44 748 100.00 100.00 1.13e-34 REF XP_007461252 "PREDICTED: splicing factor 3A subunit 1 isoform X2 [Lipotes vexillifer]" 98.44 736 100.00 100.00 2.48e-34 REF XP_012967930 "PREDICTED: splicing factor 3A subunit 1 [Mesocricetus auratus]" 78.13 840 98.00 98.00 6.76e-25 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 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_type _Vector_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . plasmid 'pET15b-SF3a120 SURP1' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 2.0mM U-15N, 13C {PROTEIN;} 20mM soldium {phosphate;} 1mM {d-DTT;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 2.0 mM '[U-13C; U-15N]' 'soldium phosphate' 20 mM 'natural abundance' d-DTT 1 mM 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20031121 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.9321 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_OPALP _Saveframe_category software _Name OPALP _Version 1.4 loop_ _Vendor _Address _Electronic_address 'Koradi, R.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 700 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 20 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 278 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XWINNMR $NMRPipe $NMRView $Kujira $CYANA $OPALP stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'SURP domain' _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 GLY HA2 H 3.788 0.030 1 2 1 1 GLY HA3 H 3.788 0.030 1 3 1 1 GLY CA C 43.333 0.300 1 4 2 2 GLU HA H 4.217 0.030 1 5 2 2 GLU HB2 H 1.993 0.030 2 6 2 2 GLU HB3 H 1.938 0.030 2 7 2 2 GLU HG2 H 2.248 0.030 2 8 2 2 GLU HG3 H 2.193 0.030 2 9 2 2 GLU C C 176.990 0.300 1 10 2 2 GLU CA C 57.299 0.300 1 11 2 2 GLU CB C 30.411 0.300 1 12 2 2 GLU CG C 35.993 0.300 1 13 3 3 VAL H H 8.549 0.030 1 14 3 3 VAL HA H 3.817 0.030 1 15 3 3 VAL HB H 1.909 0.030 1 16 3 3 VAL HG1 H 0.890 0.030 1 17 3 3 VAL HG2 H 0.670 0.030 1 18 3 3 VAL C C 176.577 0.300 1 19 3 3 VAL CA C 64.359 0.300 1 20 3 3 VAL CB C 31.936 0.300 1 21 3 3 VAL CG1 C 21.466 0.300 2 22 3 3 VAL CG2 C 20.902 0.300 2 23 3 3 VAL N N 121.789 0.300 1 24 4 4 ARG H H 8.539 0.030 1 25 4 4 ARG HA H 3.932 0.030 1 26 4 4 ARG HB2 H 1.721 0.030 1 27 4 4 ARG HB3 H 1.721 0.030 1 28 4 4 ARG HD2 H 3.013 0.030 1 29 4 4 ARG HD3 H 3.013 0.030 1 30 4 4 ARG HG2 H 1.527 0.030 1 31 4 4 ARG HG3 H 1.527 0.030 1 32 4 4 ARG C C 176.576 0.300 1 33 4 4 ARG CA C 58.023 0.300 1 34 4 4 ARG CB C 30.301 0.300 1 35 4 4 ARG CD C 43.147 0.300 1 36 4 4 ARG CG C 27.551 0.300 1 37 4 4 ARG N N 122.782 0.300 1 38 5 5 ASN H H 8.229 0.030 1 39 5 5 ASN HA H 4.494 0.030 1 40 5 5 ASN HB2 H 2.900 0.030 2 41 5 5 ASN HB3 H 2.808 0.030 2 42 5 5 ASN HD21 H 7.005 0.030 2 43 5 5 ASN HD22 H 7.788 0.030 2 44 5 5 ASN C C 176.839 0.300 1 45 5 5 ASN CA C 55.108 0.300 1 46 5 5 ASN CB C 38.320 0.300 1 47 5 5 ASN N N 117.619 0.300 1 48 5 5 ASN ND2 N 113.183 0.300 1 49 6 6 ILE H H 8.116 0.030 1 50 6 6 ILE HA H 3.865 0.030 1 51 6 6 ILE HB H 1.790 0.030 1 52 6 6 ILE HD1 H 0.719 0.030 1 53 6 6 ILE HG12 H 1.408 0.030 2 54 6 6 ILE HG13 H 0.955 0.030 2 55 6 6 ILE HG2 H 0.618 0.030 1 56 6 6 ILE C C 178.260 0.300 1 57 6 6 ILE CA C 63.655 0.300 1 58 6 6 ILE CB C 38.017 0.300 1 59 6 6 ILE CD1 C 13.898 0.300 1 60 6 6 ILE CG1 C 29.038 0.300 1 61 6 6 ILE CG2 C 17.978 0.300 1 62 6 6 ILE N N 121.090 0.300 1 63 7 7 VAL H H 8.072 0.030 1 64 7 7 VAL HA H 2.690 0.030 1 65 7 7 VAL HB H 2.036 0.030 1 66 7 7 VAL HG1 H 0.895 0.030 1 67 7 7 VAL HG2 H -0.001 0.030 1 68 7 7 VAL C C 177.430 0.300 1 69 7 7 VAL CA C 66.517 0.300 1 70 7 7 VAL CB C 30.333 0.300 1 71 7 7 VAL CG1 C 22.351 0.300 2 72 7 7 VAL CG2 C 21.223 0.300 2 73 7 7 VAL N N 126.472 0.300 1 74 8 8 ASP H H 8.295 0.030 1 75 8 8 ASP HA H 4.291 0.030 1 76 8 8 ASP HB2 H 2.820 0.030 2 77 8 8 ASP HB3 H 2.719 0.030 2 78 8 8 ASP C C 178.756 0.300 1 79 8 8 ASP CA C 58.015 0.300 1 80 8 8 ASP CB C 40.016 0.300 1 81 8 8 ASP N N 120.909 0.300 1 82 9 9 LYS H H 8.193 0.030 1 83 9 9 LYS HA H 3.900 0.030 1 84 9 9 LYS HB2 H 1.880 0.030 2 85 9 9 LYS HB3 H 1.837 0.030 2 86 9 9 LYS HD2 H 1.631 0.030 1 87 9 9 LYS HD3 H 1.631 0.030 1 88 9 9 LYS HE2 H 2.918 0.030 1 89 9 9 LYS HE3 H 2.918 0.030 1 90 9 9 LYS HG2 H 1.510 0.030 2 91 9 9 LYS HG3 H 1.409 0.030 2 92 9 9 LYS C C 179.441 0.300 1 93 9 9 LYS CA C 59.540 0.300 1 94 9 9 LYS CB C 32.963 0.300 1 95 9 9 LYS CD C 29.367 0.300 1 96 9 9 LYS CE C 42.048 0.300 1 97 9 9 LYS CG C 25.123 0.300 1 98 9 9 LYS N N 119.054 0.300 1 99 10 10 THR H H 8.406 0.030 1 100 10 10 THR HA H 4.126 0.030 1 101 10 10 THR HB H 4.661 0.030 1 102 10 10 THR HG2 H 1.696 0.030 1 103 10 10 THR C C 175.594 0.300 1 104 10 10 THR CA C 67.713 0.300 1 105 10 10 THR CB C 68.586 0.300 1 106 10 10 THR CG2 C 21.301 0.300 1 107 10 10 THR N N 117.877 0.300 1 108 11 11 ALA H H 9.325 0.030 1 109 11 11 ALA HA H 4.221 0.030 1 110 11 11 ALA HB H 1.479 0.030 1 111 11 11 ALA C C 178.843 0.300 1 112 11 11 ALA CA C 55.476 0.300 1 113 11 11 ALA CB C 18.860 0.300 1 114 11 11 ALA N N 123.666 0.300 1 115 12 12 SER H H 7.909 0.030 1 116 12 12 SER HA H 3.351 0.030 1 117 12 12 SER HB2 H 3.299 0.030 2 118 12 12 SER HB3 H 2.851 0.030 2 119 12 12 SER C C 176.679 0.300 1 120 12 12 SER CA C 61.015 0.300 1 121 12 12 SER CB C 61.891 0.300 1 122 12 12 SER N N 112.395 0.300 1 123 13 13 PHE H H 7.776 0.030 1 124 13 13 PHE HA H 4.048 0.030 1 125 13 13 PHE HB2 H 3.310 0.030 2 126 13 13 PHE HB3 H 3.197 0.030 2 127 13 13 PHE HD1 H 7.162 0.030 1 128 13 13 PHE HD2 H 7.162 0.030 1 129 13 13 PHE HE1 H 7.251 0.030 1 130 13 13 PHE HE2 H 7.251 0.030 1 131 13 13 PHE C C 178.955 0.300 1 132 13 13 PHE CA C 61.668 0.300 1 133 13 13 PHE CB C 39.580 0.300 1 134 13 13 PHE CD1 C 131.395 0.300 1 135 13 13 PHE CD2 C 131.395 0.300 1 136 13 13 PHE CE1 C 131.534 0.300 1 137 13 13 PHE CE2 C 131.534 0.300 1 138 13 13 PHE N N 121.158 0.300 1 139 14 14 VAL H H 9.147 0.030 1 140 14 14 VAL HA H 3.570 0.030 1 141 14 14 VAL HB H 2.340 0.030 1 142 14 14 VAL HG1 H 1.409 0.030 1 143 14 14 VAL HG2 H 1.088 0.030 1 144 14 14 VAL C C 179.211 0.300 1 145 14 14 VAL CA C 67.051 0.300 1 146 14 14 VAL CB C 32.499 0.300 1 147 14 14 VAL CG1 C 23.250 0.300 2 148 14 14 VAL CG2 C 20.986 0.300 2 149 14 14 VAL N N 122.431 0.300 1 150 15 15 ALA H H 8.891 0.030 1 151 15 15 ALA HA H 3.906 0.030 1 152 15 15 ALA HB H 1.560 0.030 1 153 15 15 ALA C C 178.894 0.300 1 154 15 15 ALA CA C 55.436 0.300 1 155 15 15 ALA CB C 19.913 0.300 1 156 15 15 ALA N N 124.088 0.300 1 157 16 16 ARG H H 7.337 0.030 1 158 16 16 ARG HA H 4.080 0.030 1 159 16 16 ARG HB2 H 1.670 0.030 2 160 16 16 ARG HB3 H 1.620 0.030 2 161 16 16 ARG HD2 H 3.051 0.030 1 162 16 16 ARG HD3 H 3.051 0.030 1 163 16 16 ARG HG2 H 1.546 0.030 2 164 16 16 ARG HG3 H 1.477 0.030 2 165 16 16 ARG C C 177.175 0.300 1 166 16 16 ARG CA C 57.787 0.300 1 167 16 16 ARG CB C 31.022 0.300 1 168 16 16 ARG CD C 43.137 0.300 1 169 16 16 ARG CG C 27.505 0.300 1 170 16 16 ARG N N 113.270 0.300 1 171 17 17 ASN H H 7.830 0.030 1 172 17 17 ASN HA H 4.509 0.030 1 173 17 17 ASN HB2 H 1.610 0.030 1 174 17 17 ASN HB3 H 1.610 0.030 1 175 17 17 ASN HD21 H 6.716 0.030 2 176 17 17 ASN HD22 H 5.681 0.030 2 177 17 17 ASN C C 175.625 0.300 1 178 17 17 ASN CA C 54.874 0.300 1 179 17 17 ASN CB C 39.990 0.300 1 180 17 17 ASN N N 115.255 0.300 1 181 17 17 ASN ND2 N 114.825 0.300 1 182 18 18 GLY H H 8.508 0.030 1 183 18 18 GLY HA2 H 4.150 0.030 2 184 18 18 GLY HA3 H 4.790 0.030 2 185 18 18 GLY C C 180.940 0.300 1 186 18 18 GLY CA C 45.123 0.300 1 187 18 18 GLY N N 109.584 0.300 1 188 19 19 PRO HA H 4.471 0.030 1 189 19 19 PRO HB2 H 2.383 0.030 2 190 19 19 PRO HB3 H 2.059 0.030 2 191 19 19 PRO HD2 H 3.888 0.030 2 192 19 19 PRO HD3 H 3.660 0.030 2 193 19 19 PRO HG2 H 2.101 0.030 1 194 19 19 PRO HG3 H 2.101 0.030 1 195 19 19 PRO C C 179.988 0.300 1 196 19 19 PRO CA C 64.865 0.300 1 197 19 19 PRO CB C 32.011 0.300 1 198 19 19 PRO CD C 50.233 0.300 1 199 19 19 PRO CG C 27.350 0.300 1 200 20 20 GLU H H 9.840 0.030 1 201 20 20 GLU HA H 4.202 0.030 1 202 20 20 GLU HB2 H 1.998 0.030 2 203 20 20 GLU HB3 H 1.973 0.030 2 204 20 20 GLU HG2 H 2.230 0.030 2 205 20 20 GLU HG3 H 2.186 0.030 2 206 20 20 GLU C C 178.893 0.300 1 207 20 20 GLU CA C 59.203 0.300 1 208 20 20 GLU CB C 28.219 0.300 1 209 20 20 GLU CG C 36.162 0.300 1 210 20 20 GLU N N 121.687 0.300 1 211 21 21 PHE H H 8.048 0.030 1 212 21 21 PHE HA H 4.100 0.030 1 213 21 21 PHE HB2 H 3.237 0.030 2 214 21 21 PHE HB3 H 3.167 0.030 2 215 21 21 PHE HD1 H 7.270 0.030 1 216 21 21 PHE HD2 H 7.270 0.030 1 217 21 21 PHE HE1 H 7.347 0.030 1 218 21 21 PHE HE2 H 7.347 0.030 1 219 21 21 PHE C C 177.451 0.300 1 220 21 21 PHE CA C 61.687 0.300 1 221 21 21 PHE CB C 38.803 0.300 1 222 21 21 PHE CD1 C 131.819 0.300 1 223 21 21 PHE CD2 C 131.819 0.300 1 224 21 21 PHE CE1 C 131.901 0.300 1 225 21 21 PHE CE2 C 131.901 0.300 1 226 21 21 PHE N N 119.152 0.300 1 227 22 22 GLU H H 7.580 0.030 1 228 22 22 GLU HA H 3.782 0.030 1 229 22 22 GLU HB2 H 2.458 0.030 2 230 22 22 GLU HB3 H 2.380 0.030 2 231 22 22 GLU HG2 H 2.373 0.030 2 232 22 22 GLU HG3 H 2.275 0.030 2 233 22 22 GLU C C 176.935 0.300 1 234 22 22 GLU CA C 60.338 0.300 1 235 22 22 GLU CB C 30.318 0.300 1 236 22 22 GLU CG C 37.251 0.300 1 237 22 22 GLU N N 120.465 0.300 1 238 23 23 ALA H H 7.751 0.030 1 239 23 23 ALA HA H 4.079 0.030 1 240 23 23 ALA HB H 1.453 0.030 1 241 23 23 ALA C C 180.117 0.300 1 242 23 23 ALA CA C 54.840 0.300 1 243 23 23 ALA CB C 17.924 0.300 1 244 23 23 ALA N N 118.845 0.300 1 245 24 24 ARG H H 7.388 0.030 1 246 24 24 ARG HA H 3.979 0.030 1 247 24 24 ARG HB2 H 1.808 0.030 1 248 24 24 ARG HB3 H 1.808 0.030 1 249 24 24 ARG HD2 H 3.069 0.030 2 250 24 24 ARG HD3 H 2.883 0.030 2 251 24 24 ARG HG2 H 1.629 0.030 2 252 24 24 ARG HG3 H 1.530 0.030 2 253 24 24 ARG C C 178.341 0.300 1 254 24 24 ARG CA C 59.070 0.300 1 255 24 24 ARG CB C 30.174 0.300 1 256 24 24 ARG CD C 43.380 0.300 1 257 24 24 ARG CG C 27.072 0.300 1 258 24 24 ARG N N 118.115 0.300 1 259 25 25 ILE H H 7.938 0.030 1 260 25 25 ILE HA H 3.509 0.030 1 261 25 25 ILE HB H 1.631 0.030 1 262 25 25 ILE HD1 H 0.830 0.030 1 263 25 25 ILE HG12 H 1.708 0.030 2 264 25 25 ILE HG13 H 0.890 0.030 2 265 25 25 ILE HG2 H 0.540 0.030 1 266 25 25 ILE C C 177.103 0.300 1 267 25 25 ILE CA C 65.236 0.300 1 268 25 25 ILE CB C 37.869 0.300 1 269 25 25 ILE CD1 C 13.857 0.300 1 270 25 25 ILE CG1 C 28.501 0.300 1 271 25 25 ILE CG2 C 18.084 0.300 1 272 25 25 ILE N N 120.186 0.300 1 273 26 26 ARG H H 8.114 0.030 1 274 26 26 ARG HA H 3.549 0.030 1 275 26 26 ARG HB2 H 1.866 0.030 2 276 26 26 ARG HB3 H 1.714 0.030 2 277 26 26 ARG HD2 H 3.091 0.030 1 278 26 26 ARG HD3 H 3.091 0.030 1 279 26 26 ARG HE H 7.098 0.030 1 280 26 26 ARG HG2 H 1.552 0.030 2 281 26 26 ARG HG3 H 1.441 0.030 2 282 26 26 ARG C C 178.209 0.300 1 283 26 26 ARG CA C 59.381 0.300 1 284 26 26 ARG CB C 30.175 0.300 1 285 26 26 ARG CD C 43.670 0.300 1 286 26 26 ARG CG C 27.489 0.300 1 287 26 26 ARG N N 118.025 0.300 1 288 27 27 GLN H H 7.533 0.030 1 289 27 27 GLN HA H 3.950 0.030 1 290 27 27 GLN HB2 H 2.080 0.030 2 291 27 27 GLN HB3 H 2.019 0.030 2 292 27 27 GLN HE21 H 6.903 0.030 2 293 27 27 GLN HE22 H 7.505 0.030 2 294 27 27 GLN HG2 H 2.360 0.030 1 295 27 27 GLN HG3 H 2.360 0.030 1 296 27 27 GLN C C 178.618 0.300 1 297 27 27 GLN CA C 58.040 0.300 1 298 27 27 GLN CB C 28.384 0.300 1 299 27 27 GLN CG C 33.523 0.300 1 300 27 27 GLN N N 114.590 0.300 1 301 27 27 GLN NE2 N 112.344 0.300 1 302 28 28 ASN H H 8.357 0.030 1 303 28 28 ASN HA H 4.330 0.030 1 304 28 28 ASN HB2 H 2.788 0.030 2 305 28 28 ASN HB3 H 2.690 0.030 2 306 28 28 ASN HD21 H 7.570 0.030 2 307 28 28 ASN HD22 H 6.835 0.030 2 308 28 28 ASN C C 177.370 0.300 1 309 28 28 ASN CA C 55.552 0.300 1 310 28 28 ASN CB C 38.372 0.300 1 311 28 28 ASN N N 119.122 0.300 1 312 28 28 ASN ND2 N 111.468 0.300 1 313 29 29 GLU H H 7.966 0.030 1 314 29 29 GLU HA H 4.753 0.030 1 315 29 29 GLU HB2 H 2.107 0.030 2 316 29 29 GLU HB3 H 0.917 0.030 2 317 29 29 GLU HG2 H 1.650 0.030 2 318 29 29 GLU HG3 H 0.295 0.030 2 319 29 29 GLU C C 178.055 0.300 1 320 29 29 GLU CA C 53.950 0.300 1 321 29 29 GLU CB C 28.372 0.300 1 322 29 29 GLU CG C 32.926 0.300 1 323 29 29 GLU N N 116.147 0.300 1 324 30 30 ILE H H 6.729 0.030 1 325 30 30 ILE HA H 3.981 0.030 1 326 30 30 ILE HB H 2.050 0.030 1 327 30 30 ILE HD1 H 0.848 0.030 1 328 30 30 ILE HG12 H 1.439 0.030 2 329 30 30 ILE HG13 H 1.189 0.030 2 330 30 30 ILE HG2 H 0.837 0.030 1 331 30 30 ILE C C 175.553 0.300 1 332 30 30 ILE CA C 63.046 0.300 1 333 30 30 ILE CB C 38.489 0.300 1 334 30 30 ILE CD1 C 14.193 0.300 1 335 30 30 ILE CG1 C 28.793 0.300 1 336 30 30 ILE CG2 C 17.072 0.300 1 337 30 30 ILE N N 122.584 0.300 1 338 31 31 ASN H H 8.475 0.030 1 339 31 31 ASN HB2 H 3.005 0.030 1 340 31 31 ASN HB3 H 3.005 0.030 1 341 31 31 ASN HD21 H 7.006 0.030 2 342 31 31 ASN HD22 H 7.741 0.030 2 343 31 31 ASN C C 173.947 0.300 1 344 31 31 ASN CA C 53.137 0.300 1 345 31 31 ASN CB C 38.779 0.300 1 346 31 31 ASN ND2 N 114.678 0.300 1 347 32 32 ASN H H 8.098 0.030 1 348 32 32 ASN HA H 5.200 0.030 1 349 32 32 ASN HB2 H 3.809 0.030 2 350 32 32 ASN HB3 H 2.827 0.030 2 351 32 32 ASN HD21 H 8.293 0.030 2 352 32 32 ASN HD22 H 7.334 0.030 2 353 32 32 ASN C C 174.936 0.300 1 354 32 32 ASN CA C 49.378 0.300 1 355 32 32 ASN CB C 39.872 0.300 1 356 32 32 ASN N N 120.245 0.300 1 357 32 32 ASN ND2 N 113.021 0.300 1 358 33 33 PRO HA H 4.390 0.030 1 359 33 33 PRO HB2 H 2.400 0.030 2 360 33 33 PRO HB3 H 1.999 0.030 2 361 33 33 PRO HD2 H 4.161 0.030 2 362 33 33 PRO HD3 H 4.040 0.030 2 363 33 33 PRO HG2 H 2.062 0.030 1 364 33 33 PRO HG3 H 2.062 0.030 1 365 33 33 PRO C C 178.494 0.300 1 366 33 33 PRO CA C 63.749 0.300 1 367 33 33 PRO CB C 32.249 0.300 1 368 33 33 PRO CD C 51.334 0.300 1 369 33 33 PRO CG C 27.215 0.300 1 370 34 34 LYS H H 7.703 0.030 1 371 34 34 LYS HA H 3.987 0.030 1 372 34 34 LYS HB2 H 1.640 0.030 2 373 34 34 LYS HB3 H 1.592 0.030 2 374 34 34 LYS HD2 H 1.619 0.030 1 375 34 34 LYS HD3 H 1.619 0.030 1 376 34 34 LYS HE2 H 2.921 0.030 1 377 34 34 LYS HE3 H 2.921 0.030 1 378 34 34 LYS HG2 H 1.489 0.030 2 379 34 34 LYS HG3 H 1.269 0.030 2 380 34 34 LYS C C 176.694 0.300 1 381 34 34 LYS CA C 58.506 0.300 1 382 34 34 LYS CB C 32.453 0.300 1 383 34 34 LYS CD C 29.260 0.300 1 384 34 34 LYS CE C 42.109 0.300 1 385 34 34 LYS CG C 25.930 0.300 1 386 34 34 LYS N N 117.632 0.300 1 387 35 35 PHE H H 7.708 0.030 1 388 35 35 PHE HA H 4.328 0.030 1 389 35 35 PHE HB2 H 3.090 0.030 2 390 35 35 PHE HB3 H 2.579 0.030 2 391 35 35 PHE HD1 H 6.781 0.030 1 392 35 35 PHE HD2 H 6.781 0.030 1 393 35 35 PHE HE1 H 7.241 0.030 1 394 35 35 PHE HE2 H 7.241 0.030 1 395 35 35 PHE HZ H 7.187 0.030 1 396 35 35 PHE C C 175.799 0.300 1 397 35 35 PHE CA C 57.980 0.300 1 398 35 35 PHE CB C 38.731 0.300 1 399 35 35 PHE CD1 C 131.462 0.300 1 400 35 35 PHE CD2 C 131.462 0.300 1 401 35 35 PHE CE1 C 131.222 0.300 1 402 35 35 PHE CE2 C 131.222 0.300 1 403 35 35 PHE CZ C 129.805 0.300 1 404 35 35 PHE N N 113.059 0.300 1 405 36 36 ASN H H 7.571 0.030 1 406 36 36 ASN HA H 4.244 0.030 1 407 36 36 ASN HB2 H 3.141 0.030 2 408 36 36 ASN HB3 H 2.940 0.030 2 409 36 36 ASN HD21 H 7.923 0.030 2 410 36 36 ASN HD22 H 7.099 0.030 2 411 36 36 ASN C C 175.813 0.300 1 412 36 36 ASN CA C 55.763 0.300 1 413 36 36 ASN CB C 36.662 0.300 1 414 36 36 ASN N N 121.516 0.300 1 415 36 36 ASN ND2 N 110.369 0.300 1 416 37 37 PHE H H 7.508 0.030 1 417 37 37 PHE HA H 4.529 0.030 1 418 37 37 PHE HB2 H 2.970 0.030 1 419 37 37 PHE HB3 H 2.970 0.030 1 420 37 37 PHE HD1 H 6.920 0.030 1 421 37 37 PHE HD2 H 6.920 0.030 1 422 37 37 PHE HE1 H 7.239 0.030 1 423 37 37 PHE HE2 H 7.239 0.030 1 424 37 37 PHE HZ H 7.239 0.030 1 425 37 37 PHE C C 174.930 0.300 1 426 37 37 PHE CA C 58.695 0.300 1 427 37 37 PHE CB C 38.050 0.300 1 428 37 37 PHE CD1 C 132.549 0.300 1 429 37 37 PHE CD2 C 132.549 0.300 1 430 37 37 PHE CE1 C 129.297 0.300 1 431 37 37 PHE CE2 C 129.297 0.300 1 432 37 37 PHE N N 113.991 0.300 1 433 38 38 LEU H H 6.947 0.030 1 434 38 38 LEU HA H 3.760 0.030 1 435 38 38 LEU HB2 H 1.683 0.030 2 436 38 38 LEU HB3 H 1.194 0.030 2 437 38 38 LEU HD1 H 0.706 0.030 1 438 38 38 LEU HD2 H 0.343 0.030 1 439 38 38 LEU HG H 0.551 0.030 1 440 38 38 LEU C C 176.525 0.300 1 441 38 38 LEU CA C 55.540 0.300 1 442 38 38 LEU CB C 41.980 0.300 1 443 38 38 LEU CD1 C 26.362 0.300 2 444 38 38 LEU CD2 C 23.716 0.300 2 445 38 38 LEU CG C 25.604 0.300 1 446 38 38 LEU N N 119.456 0.300 1 447 39 39 ASN H H 8.329 0.030 1 448 39 39 ASN HA H 4.647 0.030 1 449 39 39 ASN HB2 H 2.862 0.030 2 450 39 39 ASN HB3 H 3.105 0.030 2 451 39 39 ASN HD21 H 7.157 0.030 2 452 39 39 ASN HD22 H 7.890 0.030 2 453 39 39 ASN C C 174.271 0.300 1 454 39 39 ASN CA C 50.554 0.300 1 455 39 39 ASN CB C 38.818 0.300 1 456 39 39 ASN N N 121.816 0.300 1 457 39 39 ASN ND2 N 114.522 0.300 1 458 40 40 PRO HA H 2.910 0.030 1 459 40 40 PRO HB2 H 2.001 0.030 2 460 40 40 PRO HB3 H 1.681 0.030 2 461 40 40 PRO HD2 H 3.779 0.030 2 462 40 40 PRO HD3 H 3.577 0.030 2 463 40 40 PRO HG2 H 1.870 0.030 2 464 40 40 PRO HG3 H 1.746 0.030 2 465 40 40 PRO C C 176.386 0.300 1 466 40 40 PRO CA C 63.203 0.300 1 467 40 40 PRO CB C 31.791 0.300 1 468 40 40 PRO CD C 50.574 0.300 1 469 40 40 PRO CG C 27.380 0.300 1 470 41 41 ASN H H 8.151 0.030 1 471 41 41 ASN HA H 4.651 0.030 1 472 41 41 ASN HB2 H 2.786 0.030 2 473 41 41 ASN HB3 H 2.693 0.030 2 474 41 41 ASN HD21 H 7.625 0.030 2 475 41 41 ASN HD22 H 6.982 0.030 2 476 41 41 ASN C C 175.395 0.300 1 477 41 41 ASN CA C 52.725 0.300 1 478 41 41 ASN CB C 38.361 0.300 1 479 41 41 ASN N N 113.031 0.300 1 480 41 41 ASN ND2 N 113.218 0.300 1 481 42 42 ASP H H 8.339 0.030 1 482 42 42 ASP HA H 4.748 0.030 1 483 42 42 ASP HB2 H 2.964 0.030 2 484 42 42 ASP HB3 H 2.841 0.030 2 485 42 42 ASP C C 176.716 0.300 1 486 42 42 ASP CA C 53.921 0.300 1 487 42 42 ASP CB C 46.561 0.300 1 488 42 42 ASP N N 125.135 0.300 1 489 43 43 PRO HA H 4.433 0.030 1 490 43 43 PRO HB2 H 2.341 0.030 2 491 43 43 PRO HB3 H 1.739 0.030 2 492 43 43 PRO HD2 H 3.860 0.030 1 493 43 43 PRO HD3 H 3.860 0.030 1 494 43 43 PRO HG2 H 2.029 0.030 1 495 43 43 PRO HG3 H 2.029 0.030 1 496 43 43 PRO C C 177.420 0.300 1 497 43 43 PRO CA C 65.023 0.300 1 498 43 43 PRO CB C 32.340 0.300 1 499 43 43 PRO CD C 51.526 0.300 1 500 43 43 PRO CG C 27.543 0.300 1 501 44 44 TYR H H 9.525 0.030 1 502 44 44 TYR HA H 4.823 0.030 1 503 44 44 TYR HB2 H 3.329 0.030 2 504 44 44 TYR HB3 H 3.080 0.030 2 505 44 44 TYR HD1 H 7.151 0.030 1 506 44 44 TYR HD2 H 7.151 0.030 1 507 44 44 TYR HE1 H 6.599 0.030 1 508 44 44 TYR HE2 H 6.599 0.030 1 509 44 44 TYR C C 176.423 0.300 1 510 44 44 TYR CA C 58.663 0.300 1 511 44 44 TYR CB C 38.783 0.300 1 512 44 44 TYR CD1 C 132.395 0.300 1 513 44 44 TYR CD2 C 132.395 0.300 1 514 44 44 TYR CE1 C 118.116 0.300 1 515 44 44 TYR CE2 C 118.116 0.300 1 516 44 44 TYR N N 118.002 0.300 1 517 45 45 HIS H H 8.489 0.030 1 518 45 45 HIS HA H 4.750 0.030 1 519 45 45 HIS HB2 H 3.610 0.030 2 520 45 45 HIS HB3 H 3.240 0.030 2 521 45 45 HIS HD2 H 7.000 0.030 1 522 45 45 HIS HE1 H 7.610 0.030 1 523 45 45 HIS C C 177.062 0.300 1 524 45 45 HIS CA C 61.128 0.300 1 525 45 45 HIS CB C 29.146 0.300 1 526 45 45 HIS CD2 C 128.277 0.300 1 527 45 45 HIS CE1 C 137.773 0.300 1 528 45 45 HIS N N 122.164 0.300 1 529 46 46 ALA H H 8.817 0.030 1 530 46 46 ALA HA H 4.091 0.030 1 531 46 46 ALA HB H 1.478 0.030 1 532 46 46 ALA C C 180.654 0.300 1 533 46 46 ALA CA C 55.582 0.300 1 534 46 46 ALA CB C 17.364 0.300 1 535 46 46 ALA N N 120.140 0.300 1 536 47 47 TYR H H 8.388 0.030 1 537 47 47 TYR HA H 4.153 0.030 1 538 47 47 TYR HB2 H 3.180 0.030 2 539 47 47 TYR HB3 H 2.990 0.030 2 540 47 47 TYR HD1 H 7.022 0.030 1 541 47 47 TYR HD2 H 7.022 0.030 1 542 47 47 TYR HE1 H 6.780 0.030 1 543 47 47 TYR HE2 H 6.780 0.030 1 544 47 47 TYR C C 177.058 0.300 1 545 47 47 TYR CA C 61.388 0.300 1 546 47 47 TYR CB C 37.907 0.300 1 547 47 47 TYR CD1 C 133.002 0.300 1 548 47 47 TYR CD2 C 133.002 0.300 1 549 47 47 TYR CE1 C 118.574 0.300 1 550 47 47 TYR CE2 C 118.574 0.300 1 551 47 47 TYR N N 121.599 0.300 1 552 48 48 TYR H H 8.094 0.030 1 553 48 48 TYR HA H 3.720 0.030 1 554 48 48 TYR HB2 H 3.388 0.030 2 555 48 48 TYR HB3 H 3.130 0.030 2 556 48 48 TYR HD1 H 7.124 0.030 3 557 48 48 TYR HD2 H 6.486 0.030 3 558 48 48 TYR HE1 H 6.854 0.030 3 559 48 48 TYR HE2 H 6.370 0.030 3 560 48 48 TYR C C 175.988 0.300 1 561 48 48 TYR CA C 61.503 0.300 1 562 48 48 TYR CB C 37.393 0.300 1 563 48 48 TYR CD1 C 132.916 0.300 3 564 48 48 TYR CD2 C 133.456 0.300 3 565 48 48 TYR CE1 C 117.567 0.300 3 566 48 48 TYR CE2 C 117.279 0.300 3 567 48 48 TYR N N 120.922 0.300 1 568 49 49 ARG H H 8.799 0.030 1 569 49 49 ARG HA H 3.270 0.030 1 570 49 49 ARG HB2 H 1.984 0.030 2 571 49 49 ARG HB3 H 1.668 0.030 2 572 49 49 ARG HD2 H 3.322 0.030 2 573 49 49 ARG HD3 H 3.166 0.030 2 574 49 49 ARG HE H 7.581 0.030 1 575 49 49 ARG HG2 H 1.641 0.030 2 576 49 49 ARG HG3 H 1.190 0.030 2 577 49 49 ARG C C 179.743 0.300 1 578 49 49 ARG CA C 58.876 0.300 1 579 49 49 ARG CB C 29.688 0.300 1 580 49 49 ARG CD C 43.562 0.300 1 581 49 49 ARG CG C 26.773 0.300 1 582 49 49 ARG N N 118.426 0.300 1 583 50 50 HIS H H 8.060 0.030 1 584 50 50 HIS HA H 4.201 0.030 1 585 50 50 HIS HB2 H 3.210 0.030 2 586 50 50 HIS HB3 H 3.060 0.030 2 587 50 50 HIS HD2 H 6.739 0.030 1 588 50 50 HIS HE1 H 7.885 0.030 1 589 50 50 HIS C C 177.073 0.300 1 590 50 50 HIS CA C 59.164 0.300 1 591 50 50 HIS CB C 28.998 0.300 1 592 50 50 HIS CD2 C 119.448 0.300 1 593 50 50 HIS CE1 C 137.727 0.300 1 594 50 50 HIS N N 119.723 0.300 1 595 51 51 LYS H H 8.081 0.030 1 596 51 51 LYS HA H 3.541 0.030 1 597 51 51 LYS HB2 H 1.548 0.030 2 598 51 51 LYS HB3 H 1.368 0.030 2 599 51 51 LYS HD2 H 1.309 0.030 2 600 51 51 LYS HD3 H 1.185 0.030 2 601 51 51 LYS HE2 H 2.589 0.030 2 602 51 51 LYS HE3 H 2.479 0.030 2 603 51 51 LYS HG2 H 1.151 0.030 2 604 51 51 LYS HG3 H 1.010 0.030 2 605 51 51 LYS C C 178.198 0.300 1 606 51 51 LYS CA C 56.506 0.300 1 607 51 51 LYS CB C 29.296 0.300 1 608 51 51 LYS CD C 26.258 0.300 1 609 51 51 LYS CE C 41.191 0.300 1 610 51 51 LYS CG C 22.831 0.300 1 611 51 51 LYS N N 120.744 0.300 1 612 52 52 VAL H H 8.210 0.030 1 613 52 52 VAL HA H 3.373 0.030 1 614 52 52 VAL HB H 1.840 0.030 1 615 52 52 VAL HG1 H 0.580 0.030 1 616 52 52 VAL HG2 H 0.773 0.030 1 617 52 52 VAL C C 177.963 0.300 1 618 52 52 VAL CA C 67.521 0.300 1 619 52 52 VAL CB C 31.653 0.300 1 620 52 52 VAL CG1 C 22.571 0.300 2 621 52 52 VAL CG2 C 21.683 0.300 2 622 52 52 VAL N N 119.714 0.300 1 623 53 53 SER H H 7.359 0.030 1 624 53 53 SER HA H 4.019 0.030 1 625 53 53 SER HB2 H 3.847 0.030 1 626 53 53 SER HB3 H 3.847 0.030 1 627 53 53 SER C C 176.116 0.300 1 628 53 53 SER CA C 61.895 0.300 1 629 53 53 SER CB C 62.545 0.300 1 630 53 53 SER N N 113.115 0.300 1 631 54 54 GLU H H 8.010 0.030 1 632 54 54 GLU HA H 3.769 0.030 1 633 54 54 GLU HB2 H 1.650 0.030 2 634 54 54 GLU HB3 H 1.543 0.030 2 635 54 54 GLU HG2 H 1.931 0.030 2 636 54 54 GLU HG3 H 1.659 0.030 2 637 54 54 GLU C C 179.738 0.300 1 638 54 54 GLU CA C 59.317 0.300 1 639 54 54 GLU CB C 30.098 0.300 1 640 54 54 GLU CG C 36.185 0.300 1 641 54 54 GLU N N 122.288 0.300 1 642 55 55 PHE H H 8.281 0.030 1 643 55 55 PHE HA H 4.470 0.030 1 644 55 55 PHE HB2 H 3.170 0.030 2 645 55 55 PHE HB3 H 2.809 0.030 2 646 55 55 PHE HD1 H 7.079 0.030 1 647 55 55 PHE HD2 H 7.079 0.030 1 648 55 55 PHE HE1 H 7.251 0.030 1 649 55 55 PHE HE2 H 7.251 0.030 1 650 55 55 PHE HZ H 7.168 0.030 1 651 55 55 PHE C C 179.211 0.300 1 652 55 55 PHE CA C 60.405 0.300 1 653 55 55 PHE CB C 38.660 0.300 1 654 55 55 PHE CD1 C 131.332 0.300 1 655 55 55 PHE CD2 C 131.332 0.300 1 656 55 55 PHE CE1 C 131.334 0.300 1 657 55 55 PHE CE2 C 131.334 0.300 1 658 55 55 PHE CZ C 129.529 0.300 1 659 55 55 PHE N N 117.810 0.300 1 660 56 56 LYS H H 8.473 0.030 1 661 56 56 LYS HA H 4.029 0.030 1 662 56 56 LYS HB2 H 1.934 0.030 1 663 56 56 LYS HB3 H 1.934 0.030 1 664 56 56 LYS HD2 H 1.719 0.030 2 665 56 56 LYS HD3 H 1.666 0.030 2 666 56 56 LYS HE2 H 2.968 0.030 1 667 56 56 LYS HE3 H 2.968 0.030 1 668 56 56 LYS HG2 H 1.709 0.030 2 669 56 56 LYS HG3 H 1.457 0.030 2 670 56 56 LYS C C 177.988 0.300 1 671 56 56 LYS CA C 59.336 0.300 1 672 56 56 LYS CB C 32.641 0.300 1 673 56 56 LYS CD C 29.264 0.300 1 674 56 56 LYS CE C 41.682 0.300 1 675 56 56 LYS CG C 25.414 0.300 1 676 56 56 LYS N N 121.906 0.300 1 677 57 57 GLU H H 7.947 0.030 1 678 57 57 GLU HA H 4.207 0.030 1 679 57 57 GLU HB2 H 2.099 0.030 2 680 57 57 GLU HB3 H 1.961 0.030 2 681 57 57 GLU HG2 H 2.371 0.030 2 682 57 57 GLU HG3 H 2.270 0.030 2 683 57 57 GLU C C 177.206 0.300 1 684 57 57 GLU CA C 56.896 0.300 1 685 57 57 GLU CB C 29.994 0.300 1 686 57 57 GLU CG C 36.257 0.300 1 687 57 57 GLU N N 117.296 0.300 1 688 58 58 GLY H H 7.885 0.030 1 689 58 58 GLY HA2 H 3.959 0.030 1 690 58 58 GLY HA3 H 3.959 0.030 1 691 58 58 GLY C C 174.587 0.300 1 692 58 58 GLY CA C 45.862 0.300 1 693 58 58 GLY N N 107.781 0.300 1 694 59 59 LYS H H 8.070 0.030 1 695 59 59 LYS HA H 4.230 0.030 1 696 59 59 LYS HB2 H 1.800 0.030 2 697 59 59 LYS HB3 H 1.599 0.030 2 698 59 59 LYS HD2 H 1.591 0.030 1 699 59 59 LYS HD3 H 1.591 0.030 1 700 59 59 LYS HE2 H 2.928 0.030 1 701 59 59 LYS HE3 H 2.928 0.030 1 702 59 59 LYS HG2 H 1.349 0.030 1 703 59 59 LYS HG3 H 1.349 0.030 1 704 59 59 LYS C C 175.937 0.300 1 705 59 59 LYS CA C 56.190 0.300 1 706 59 59 LYS CB C 33.158 0.300 1 707 59 59 LYS CD C 28.971 0.300 1 708 59 59 LYS CE C 42.015 0.300 1 709 59 59 LYS CG C 24.777 0.300 1 710 59 59 LYS N N 119.751 0.300 1 711 60 60 ALA H H 8.022 0.030 1 712 60 60 ALA HA H 4.237 0.030 1 713 60 60 ALA HB H 1.061 0.030 1 714 60 60 ALA C C 176.899 0.300 1 715 60 60 ALA CA C 51.987 0.300 1 716 60 60 ALA CB C 19.299 0.300 1 717 60 60 ALA N N 124.195 0.300 1 718 61 61 GLN H H 8.462 0.030 1 719 61 61 GLN HA H 4.289 0.030 1 720 61 61 GLN HB2 H 2.029 0.030 2 721 61 61 GLN HB3 H 1.890 0.030 2 722 61 61 GLN HE21 H 6.888 0.030 2 723 61 61 GLN HE22 H 7.611 0.030 2 724 61 61 GLN HG2 H 2.314 0.030 1 725 61 61 GLN HG3 H 2.314 0.030 1 726 61 61 GLN C C 175.676 0.300 1 727 61 61 GLN CA C 55.209 0.300 1 728 61 61 GLN CB C 29.797 0.300 1 729 61 61 GLN CG C 33.744 0.300 1 730 61 61 GLN N N 119.924 0.300 1 731 61 61 GLN NE2 N 113.281 0.300 1 732 62 62 GLU H H 8.640 0.030 1 733 62 62 GLU HA H 4.490 0.030 1 734 62 62 GLU HB2 H 1.982 0.030 2 735 62 62 GLU HB3 H 1.851 0.030 2 736 62 62 GLU HG2 H 2.301 0.030 2 737 62 62 GLU HG3 H 2.251 0.030 2 738 62 62 GLU C C 174.527 0.300 1 739 62 62 GLU CA C 54.492 0.300 1 740 62 62 GLU CB C 29.511 0.300 1 741 62 62 GLU CG C 35.871 0.300 1 742 62 62 GLU N N 124.503 0.300 1 743 63 63 PRO HA H 4.437 0.030 1 744 63 63 PRO HB2 H 2.260 0.030 2 745 63 63 PRO HB3 H 1.942 0.030 2 746 63 63 PRO HD2 H 3.767 0.030 2 747 63 63 PRO HD3 H 3.607 0.030 2 748 63 63 PRO HG2 H 1.969 0.030 2 749 63 63 PRO HG3 H 1.937 0.030 2 750 63 63 PRO C C 175.997 0.300 1 751 63 63 PRO CA C 63.245 0.300 1 752 63 63 PRO CB C 32.021 0.300 1 753 63 63 PRO CD C 50.624 0.300 1 754 63 63 PRO CG C 27.360 0.300 1 755 64 64 SER H H 8.190 0.030 1 756 64 64 SER HA H 4.209 0.030 1 757 64 64 SER HB2 H 3.821 0.030 1 758 64 64 SER HB3 H 3.821 0.030 1 759 64 64 SER C C 178.792 0.300 1 760 64 64 SER CA C 60.073 0.300 1 761 64 64 SER CB C 64.792 0.300 1 762 64 64 SER N N 122.471 0.300 1 stop_ save_