data_10329 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the 16th Filamin domain from human Filamin C ; _BMRB_accession_number 10329 _BMRB_flat_file_name bmr10329.str _Entry_type new _Submission_date 2009-04-14 _Accession_date 2009-04-14 _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 Tomizawa T. . . 2 Kigawa T. . . 3 Koshiba S. . . 4 Inoue M. . . 5 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" 511 "13C chemical shifts" 381 "15N chemical shifts" 83 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-04-14 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the 16th Filamin domain from human Filamin C' _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 Tomizawa T. . . 2 Kigawa T. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Yokoyama S. . . stop_ _Journal_abbreviation . _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 Filamin-C _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Filamin 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 'Filamin domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 93 _Mol_residue_sequence ; GSSGSSGLRPFNLVIPFAVQ KGELTGEVRMPSGKTARPNI TDNKDGTITVRYAPTEKGLH QMGIKYDGNHIPGSPLQFYV DAINSRHSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 LEU 9 ARG 10 PRO 11 PHE 12 ASN 13 LEU 14 VAL 15 ILE 16 PRO 17 PHE 18 ALA 19 VAL 20 GLN 21 LYS 22 GLY 23 GLU 24 LEU 25 THR 26 GLY 27 GLU 28 VAL 29 ARG 30 MET 31 PRO 32 SER 33 GLY 34 LYS 35 THR 36 ALA 37 ARG 38 PRO 39 ASN 40 ILE 41 THR 42 ASP 43 ASN 44 LYS 45 ASP 46 GLY 47 THR 48 ILE 49 THR 50 VAL 51 ARG 52 TYR 53 ALA 54 PRO 55 THR 56 GLU 57 LYS 58 GLY 59 LEU 60 HIS 61 GLN 62 MET 63 GLY 64 ILE 65 LYS 66 TYR 67 ASP 68 GLY 69 ASN 70 HIS 71 ILE 72 PRO 73 GLY 74 SER 75 PRO 76 LEU 77 GLN 78 PHE 79 TYR 80 VAL 81 ASP 82 ALA 83 ILE 84 ASN 85 SER 86 ARG 87 HIS 88 SER 89 GLY 90 PRO 91 SER 92 SER 93 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-23 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 2D7N "Solution Structure Of The 16th Filamin Domain From Human Filamin C" 100.00 93 100.00 100.00 4.99e-60 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' . . . . plasmid P050404-02 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 $entity_1 1.19 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name XWINNMR _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20030801 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _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_software_4 _Saveframe_category software _Name Kujira _Version 0.932 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structure solution' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-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' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 296 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 H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-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 'Filamin 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 3.828 0.030 1 2 1 1 GLY HA3 H 3.828 0.030 1 3 1 1 GLY CA C 43.874 0.300 1 4 4 4 GLY HA2 H 3.996 0.030 1 5 4 4 GLY HA3 H 3.996 0.030 1 6 4 4 GLY CA C 45.402 0.300 1 7 6 6 SER HA H 4.455 0.030 1 8 6 6 SER HB2 H 3.876 0.030 1 9 6 6 SER HB3 H 3.876 0.030 1 10 6 6 SER C C 174.854 0.300 1 11 6 6 SER CA C 58.486 0.300 1 12 6 6 SER CB C 63.814 0.300 1 13 7 7 GLY H H 8.364 0.030 1 14 7 7 GLY HA2 H 3.942 0.030 1 15 7 7 GLY HA3 H 3.942 0.030 1 16 7 7 GLY C C 173.524 0.300 1 17 7 7 GLY CA C 45.223 0.300 1 18 7 7 GLY N N 110.114 0.300 1 19 8 8 LEU H H 8.077 0.030 1 20 8 8 LEU HA H 4.509 0.030 1 21 8 8 LEU HB2 H 1.006 0.030 2 22 8 8 LEU HB3 H 1.456 0.030 2 23 8 8 LEU HD1 H 0.469 0.030 1 24 8 8 LEU HD2 H 0.638 0.030 1 25 8 8 LEU HG H 1.473 0.030 1 26 8 8 LEU C C 176.900 0.300 1 27 8 8 LEU CA C 53.786 0.300 1 28 8 8 LEU CB C 42.428 0.300 1 29 8 8 LEU CD1 C 24.824 0.300 2 30 8 8 LEU CD2 C 22.653 0.300 2 31 8 8 LEU CG C 26.613 0.300 1 32 8 8 LEU N N 120.531 0.300 1 33 9 9 ARG H H 8.478 0.030 1 34 9 9 ARG HA H 4.326 0.030 1 35 9 9 ARG HB2 H 1.805 0.030 2 36 9 9 ARG HB3 H 1.939 0.030 2 37 9 9 ARG HD2 H 3.264 0.030 2 38 9 9 ARG HD3 H 3.316 0.030 2 39 9 9 ARG HG2 H 1.809 0.030 2 40 9 9 ARG HG3 H 1.719 0.030 2 41 9 9 ARG C C 173.822 0.300 1 42 9 9 ARG CA C 54.661 0.300 1 43 9 9 ARG CB C 30.781 0.300 1 44 9 9 ARG CD C 43.492 0.300 1 45 9 9 ARG CG C 27.183 0.300 1 46 9 9 ARG N N 125.055 0.300 1 47 10 10 PRO HA H 4.533 0.030 1 48 10 10 PRO HB2 H 1.798 0.030 2 49 10 10 PRO HB3 H 2.225 0.030 2 50 10 10 PRO HD2 H 3.931 0.030 2 51 10 10 PRO HD3 H 3.646 0.030 2 52 10 10 PRO HG2 H 1.976 0.030 1 53 10 10 PRO HG3 H 1.976 0.030 1 54 10 10 PRO C C 175.683 0.300 1 55 10 10 PRO CA C 62.787 0.300 1 56 10 10 PRO CB C 32.254 0.300 1 57 10 10 PRO CD C 50.688 0.300 1 58 10 10 PRO CG C 27.365 0.300 1 59 11 11 PHE H H 8.657 0.030 1 60 11 11 PHE HA H 4.641 0.030 1 61 11 11 PHE HB2 H 2.602 0.030 2 62 11 11 PHE HB3 H 2.679 0.030 2 63 11 11 PHE HD1 H 6.478 0.030 1 64 11 11 PHE HD2 H 6.478 0.030 1 65 11 11 PHE HE1 H 6.790 0.030 1 66 11 11 PHE HE2 H 6.790 0.030 1 67 11 11 PHE HZ H 6.872 0.030 1 68 11 11 PHE C C 173.895 0.300 1 69 11 11 PHE CA C 57.016 0.300 1 70 11 11 PHE CB C 41.593 0.300 1 71 11 11 PHE CD1 C 130.815 0.300 1 72 11 11 PHE CD2 C 130.815 0.300 1 73 11 11 PHE CE1 C 130.498 0.300 1 74 11 11 PHE CE2 C 130.498 0.300 1 75 11 11 PHE CZ C 129.438 0.300 1 76 11 11 PHE N N 122.131 0.300 1 77 12 12 ASN H H 7.768 0.030 1 78 12 12 ASN HA H 5.210 0.030 1 79 12 12 ASN HB2 H 2.323 0.030 2 80 12 12 ASN HB3 H 2.444 0.030 2 81 12 12 ASN HD21 H 7.203 0.030 2 82 12 12 ASN HD22 H 6.475 0.030 2 83 12 12 ASN C C 172.558 0.300 1 84 12 12 ASN CA C 52.220 0.300 1 85 12 12 ASN CB C 42.407 0.300 1 86 12 12 ASN N N 126.714 0.300 1 87 12 12 ASN ND2 N 111.703 0.300 1 88 13 13 LEU H H 8.606 0.030 1 89 13 13 LEU HA H 4.395 0.030 1 90 13 13 LEU HB2 H 0.948 0.030 2 91 13 13 LEU HB3 H 1.344 0.030 2 92 13 13 LEU HD1 H 0.892 0.030 1 93 13 13 LEU HD2 H 0.844 0.030 1 94 13 13 LEU HG H 1.264 0.030 1 95 13 13 LEU C C 173.859 0.300 1 96 13 13 LEU CA C 54.448 0.300 1 97 13 13 LEU CB C 47.289 0.300 1 98 13 13 LEU CD1 C 23.182 0.300 2 99 13 13 LEU CD2 C 26.650 0.300 2 100 13 13 LEU CG C 27.052 0.300 1 101 13 13 LEU N N 125.519 0.300 1 102 14 14 VAL H H 8.320 0.030 1 103 14 14 VAL HA H 4.939 0.030 1 104 14 14 VAL HB H 1.880 0.030 1 105 14 14 VAL HG1 H 0.783 0.030 1 106 14 14 VAL HG2 H 0.924 0.030 1 107 14 14 VAL C C 176.229 0.300 1 108 14 14 VAL CA C 61.562 0.300 1 109 14 14 VAL CB C 32.203 0.300 1 110 14 14 VAL CG1 C 20.733 0.300 2 111 14 14 VAL CG2 C 21.044 0.300 2 112 14 14 VAL N N 127.289 0.300 1 113 15 15 ILE H H 9.158 0.030 1 114 15 15 ILE HA H 4.730 0.030 1 115 15 15 ILE HB H 1.601 0.030 1 116 15 15 ILE HD1 H 0.719 0.030 1 117 15 15 ILE HG12 H 0.939 0.030 2 118 15 15 ILE HG13 H 1.476 0.030 2 119 15 15 ILE HG2 H 0.887 0.030 1 120 15 15 ILE C C 174.209 0.300 1 121 15 15 ILE CA C 57.856 0.300 1 122 15 15 ILE CB C 42.555 0.300 1 123 15 15 ILE CD1 C 14.210 0.300 1 124 15 15 ILE CG1 C 27.374 0.300 1 125 15 15 ILE CG2 C 16.385 0.300 1 126 15 15 ILE N N 128.380 0.300 1 127 16 16 PRO HA H 4.746 0.030 1 128 16 16 PRO HB2 H 2.116 0.030 1 129 16 16 PRO HB3 H 2.116 0.030 1 130 16 16 PRO HD2 H 3.774 0.030 2 131 16 16 PRO HD3 H 3.821 0.030 2 132 16 16 PRO HG2 H 2.216 0.030 2 133 16 16 PRO HG3 H 1.986 0.030 2 134 16 16 PRO C C 174.925 0.300 1 135 16 16 PRO CA C 62.317 0.300 1 136 16 16 PRO CB C 30.245 0.300 1 137 16 16 PRO CD C 51.412 0.300 1 138 16 16 PRO CG C 27.713 0.300 1 139 17 17 PHE H H 8.254 0.030 1 140 17 17 PHE HA H 4.158 0.030 1 141 17 17 PHE HB2 H 2.392 0.030 2 142 17 17 PHE HB3 H 3.235 0.030 2 143 17 17 PHE HD1 H 6.935 0.030 1 144 17 17 PHE HD2 H 6.935 0.030 1 145 17 17 PHE HE1 H 6.759 0.030 1 146 17 17 PHE HE2 H 6.759 0.030 1 147 17 17 PHE HZ H 6.573 0.030 1 148 17 17 PHE C C 171.812 0.300 1 149 17 17 PHE CA C 59.997 0.300 1 150 17 17 PHE CB C 41.002 0.300 1 151 17 17 PHE CD1 C 131.042 0.300 1 152 17 17 PHE CD2 C 131.042 0.300 1 153 17 17 PHE CE1 C 131.015 0.300 1 154 17 17 PHE CE2 C 131.015 0.300 1 155 17 17 PHE CZ C 129.791 0.300 1 156 17 17 PHE N N 127.566 0.300 1 157 18 18 ALA H H 7.295 0.030 1 158 18 18 ALA HA H 4.172 0.030 1 159 18 18 ALA HB H 0.979 0.030 1 160 18 18 ALA C C 174.848 0.300 1 161 18 18 ALA CA C 50.055 0.300 1 162 18 18 ALA CB C 18.424 0.300 1 163 18 18 ALA N N 129.481 0.300 1 164 19 19 VAL H H 8.170 0.030 1 165 19 19 VAL HA H 3.339 0.030 1 166 19 19 VAL HB H 2.039 0.030 1 167 19 19 VAL HG1 H 0.976 0.030 1 168 19 19 VAL HG2 H 0.943 0.030 1 169 19 19 VAL C C 176.721 0.300 1 170 19 19 VAL CA C 63.213 0.300 1 171 19 19 VAL CB C 32.607 0.300 1 172 19 19 VAL CG1 C 21.730 0.300 2 173 19 19 VAL CG2 C 22.841 0.300 2 174 19 19 VAL N N 123.994 0.300 1 175 20 20 GLN H H 7.483 0.030 1 176 20 20 GLN HA H 4.614 0.030 1 177 20 20 GLN HB2 H 2.199 0.030 2 178 20 20 GLN HB3 H 1.989 0.030 2 179 20 20 GLN HE21 H 7.295 0.030 2 180 20 20 GLN HE22 H 6.756 0.030 2 181 20 20 GLN HG2 H 2.194 0.030 2 182 20 20 GLN HG3 H 2.233 0.030 2 183 20 20 GLN C C 175.284 0.300 1 184 20 20 GLN CA C 55.610 0.300 1 185 20 20 GLN CB C 28.175 0.300 1 186 20 20 GLN CG C 33.640 0.300 1 187 20 20 GLN N N 125.851 0.300 1 188 20 20 GLN NE2 N 112.201 0.300 1 189 21 21 LYS H H 8.034 0.030 1 190 21 21 LYS HA H 4.512 0.030 1 191 21 21 LYS HB2 H 1.807 0.030 2 192 21 21 LYS HB3 H 2.006 0.030 2 193 21 21 LYS HD2 H 1.675 0.030 1 194 21 21 LYS HD3 H 1.675 0.030 1 195 21 21 LYS HE2 H 2.975 0.030 1 196 21 21 LYS HE3 H 2.975 0.030 1 197 21 21 LYS HG2 H 1.402 0.030 2 198 21 21 LYS HG3 H 1.445 0.030 2 199 21 21 LYS C C 176.484 0.300 1 200 21 21 LYS CA C 56.511 0.300 1 201 21 21 LYS CB C 32.724 0.300 1 202 21 21 LYS CD C 29.140 0.300 1 203 21 21 LYS CE C 42.214 0.300 1 204 21 21 LYS CG C 24.797 0.300 1 205 21 21 LYS N N 117.050 0.300 1 206 22 22 GLY H H 8.173 0.030 1 207 22 22 GLY HA2 H 3.621 0.030 2 208 22 22 GLY HA3 H 4.120 0.030 2 209 22 22 GLY C C 172.419 0.300 1 210 22 22 GLY CA C 45.317 0.300 1 211 22 22 GLY N N 108.999 0.300 1 212 23 23 GLU H H 8.309 0.030 1 213 23 23 GLU HA H 4.497 0.030 1 214 23 23 GLU HB2 H 1.960 0.030 2 215 23 23 GLU HB3 H 1.847 0.030 2 216 23 23 GLU HG2 H 2.061 0.030 2 217 23 23 GLU HG3 H 2.199 0.030 2 218 23 23 GLU C C 175.943 0.300 1 219 23 23 GLU CA C 55.454 0.300 1 220 23 23 GLU CB C 31.977 0.300 1 221 23 23 GLU CG C 36.286 0.300 1 222 23 23 GLU N N 118.860 0.300 1 223 24 24 LEU H H 8.974 0.030 1 224 24 24 LEU HA H 5.447 0.030 1 225 24 24 LEU HB2 H 1.640 0.030 2 226 24 24 LEU HB3 H 1.560 0.030 2 227 24 24 LEU HD1 H 0.797 0.030 1 228 24 24 LEU HD2 H 0.830 0.030 1 229 24 24 LEU HG H 1.605 0.030 1 230 24 24 LEU C C 176.677 0.300 1 231 24 24 LEU CA C 53.894 0.300 1 232 24 24 LEU CB C 44.400 0.300 1 233 24 24 LEU CD1 C 25.454 0.300 2 234 24 24 LEU CD2 C 25.581 0.300 2 235 24 24 LEU CG C 27.271 0.300 1 236 24 24 LEU N N 129.661 0.300 1 237 25 25 THR H H 9.192 0.030 1 238 25 25 THR HA H 4.682 0.030 1 239 25 25 THR HB H 4.114 0.030 1 240 25 25 THR HG2 H 1.065 0.030 1 241 25 25 THR C C 172.746 0.300 1 242 25 25 THR CA C 59.943 0.300 1 243 25 25 THR CB C 72.330 0.300 1 244 25 25 THR CG2 C 21.728 0.300 1 245 25 25 THR N N 115.969 0.300 1 246 26 26 GLY H H 8.458 0.030 1 247 26 26 GLY HA2 H 5.194 0.030 2 248 26 26 GLY HA3 H 3.384 0.030 2 249 26 26 GLY C C 172.139 0.300 1 250 26 26 GLY CA C 45.138 0.300 1 251 26 26 GLY N N 106.766 0.300 1 252 27 27 GLU H H 8.749 0.030 1 253 27 27 GLU HA H 4.742 0.030 1 254 27 27 GLU HB2 H 1.960 0.030 1 255 27 27 GLU HB3 H 1.960 0.030 1 256 27 27 GLU HG2 H 2.126 0.030 2 257 27 27 GLU HG3 H 1.982 0.030 2 258 27 27 GLU C C 173.951 0.300 1 259 27 27 GLU CA C 56.428 0.300 1 260 27 27 GLU CB C 34.398 0.300 1 261 27 27 GLU CG C 37.106 0.300 1 262 27 27 GLU N N 118.940 0.300 1 263 28 28 VAL H H 9.222 0.030 1 264 28 28 VAL HA H 4.870 0.030 1 265 28 28 VAL HB H 1.441 0.030 1 266 28 28 VAL HG1 H 0.519 0.030 1 267 28 28 VAL HG2 H 0.244 0.030 1 268 28 28 VAL C C 173.888 0.300 1 269 28 28 VAL CA C 60.345 0.300 1 270 28 28 VAL CB C 34.322 0.300 1 271 28 28 VAL CG1 C 21.571 0.300 2 272 28 28 VAL CG2 C 22.024 0.300 2 273 28 28 VAL N N 126.589 0.300 1 274 29 29 ARG H H 9.098 0.030 1 275 29 29 ARG HA H 4.779 0.030 1 276 29 29 ARG HB2 H 1.625 0.030 2 277 29 29 ARG HB3 H 1.707 0.030 2 278 29 29 ARG HD2 H 3.065 0.030 1 279 29 29 ARG HD3 H 3.065 0.030 1 280 29 29 ARG HG2 H 1.454 0.030 1 281 29 29 ARG HG3 H 1.454 0.030 1 282 29 29 ARG C C 175.311 0.300 1 283 29 29 ARG CA C 54.895 0.300 1 284 29 29 ARG CB C 31.768 0.300 1 285 29 29 ARG CD C 43.083 0.300 1 286 29 29 ARG CG C 27.285 0.300 1 287 29 29 ARG N N 127.027 0.300 1 288 30 30 MET H H 8.437 0.030 1 289 30 30 MET HA H 4.034 0.030 1 290 30 30 MET HB2 H 2.544 0.030 2 291 30 30 MET HB3 H 2.210 0.030 2 292 30 30 MET HE H 1.923 0.030 1 293 30 30 MET HG2 H 1.688 0.030 1 294 30 30 MET HG3 H 1.688 0.030 1 295 30 30 MET C C 174.746 0.300 1 296 30 30 MET CA C 53.946 0.300 1 297 30 30 MET CB C 32.105 0.300 1 298 30 30 MET CE C 18.572 0.300 1 299 30 30 MET CG C 32.598 0.300 1 300 30 30 MET N N 125.068 0.300 1 301 31 31 PRO HA H 4.124 0.030 1 302 31 31 PRO HB2 H 1.926 0.030 2 303 31 31 PRO HB3 H 2.324 0.030 2 304 31 31 PRO HD2 H 3.175 0.030 2 305 31 31 PRO HD3 H 1.817 0.030 2 306 31 31 PRO HG2 H 2.172 0.030 2 307 31 31 PRO HG3 H 1.807 0.030 2 308 31 31 PRO C C 178.038 0.300 1 309 31 31 PRO CA C 66.135 0.300 1 310 31 31 PRO CB C 31.345 0.300 1 311 31 31 PRO CD C 49.410 0.300 1 312 31 31 PRO CG C 26.536 0.300 1 313 32 32 SER H H 8.786 0.030 1 314 32 32 SER HA H 4.079 0.030 1 315 32 32 SER HB2 H 4.021 0.030 2 316 32 32 SER HB3 H 3.896 0.030 2 317 32 32 SER C C 176.326 0.300 1 318 32 32 SER CA C 59.762 0.300 1 319 32 32 SER CB C 62.670 0.300 1 320 32 32 SER N N 110.933 0.300 1 321 33 33 GLY H H 8.392 0.030 1 322 33 33 GLY HA2 H 3.416 0.030 2 323 33 33 GLY HA3 H 4.448 0.030 2 324 33 33 GLY C C 174.211 0.300 1 325 33 33 GLY CA C 44.510 0.300 1 326 33 33 GLY N N 111.551 0.300 1 327 34 34 LYS H H 7.135 0.030 1 328 34 34 LYS HA H 4.260 0.030 1 329 34 34 LYS HB2 H 1.914 0.030 2 330 34 34 LYS HB3 H 1.745 0.030 2 331 34 34 LYS HD2 H 1.647 0.030 2 332 34 34 LYS HD3 H 1.705 0.030 2 333 34 34 LYS HE2 H 2.977 0.030 1 334 34 34 LYS HE3 H 2.977 0.030 1 335 34 34 LYS HG2 H 1.443 0.030 2 336 34 34 LYS HG3 H 1.541 0.030 2 337 34 34 LYS C C 175.228 0.300 1 338 34 34 LYS CA C 57.281 0.300 1 339 34 34 LYS CB C 33.514 0.300 1 340 34 34 LYS CD C 29.195 0.300 1 341 34 34 LYS CE C 42.195 0.300 1 342 34 34 LYS CG C 25.758 0.300 1 343 34 34 LYS N N 120.415 0.300 1 344 35 35 THR H H 8.176 0.030 1 345 35 35 THR HA H 5.678 0.030 1 346 35 35 THR HB H 4.127 0.030 1 347 35 35 THR HG2 H 1.116 0.030 1 348 35 35 THR C C 174.338 0.300 1 349 35 35 THR CA C 59.407 0.300 1 350 35 35 THR CB C 72.240 0.300 1 351 35 35 THR CG2 C 21.482 0.300 1 352 35 35 THR N N 110.648 0.300 1 353 36 36 ALA H H 8.850 0.030 1 354 36 36 ALA HA H 4.747 0.030 1 355 36 36 ALA HB H 1.509 0.030 1 356 36 36 ALA C C 175.597 0.300 1 357 36 36 ALA CA C 50.833 0.300 1 358 36 36 ALA CB C 23.986 0.300 1 359 36 36 ALA N N 122.882 0.300 1 360 37 37 ARG H H 8.927 0.030 1 361 37 37 ARG HA H 5.001 0.030 1 362 37 37 ARG HB2 H 1.884 0.030 2 363 37 37 ARG HB3 H 1.960 0.030 2 364 37 37 ARG HD2 H 3.347 0.030 2 365 37 37 ARG HD3 H 3.383 0.030 2 366 37 37 ARG HG2 H 1.865 0.030 2 367 37 37 ARG HG3 H 1.904 0.030 2 368 37 37 ARG C C 175.052 0.300 1 369 37 37 ARG CA C 53.098 0.300 1 370 37 37 ARG CB C 31.341 0.300 1 371 37 37 ARG CD C 43.696 0.300 1 372 37 37 ARG CG C 27.003 0.300 1 373 37 37 ARG N N 120.574 0.300 1 374 38 38 PRO HA H 5.008 0.030 1 375 38 38 PRO HB2 H 1.746 0.030 2 376 38 38 PRO HB3 H 2.000 0.030 2 377 38 38 PRO HD2 H 3.738 0.030 2 378 38 38 PRO HD3 H 3.452 0.030 2 379 38 38 PRO HG2 H 1.744 0.030 1 380 38 38 PRO HG3 H 1.744 0.030 1 381 38 38 PRO C C 173.529 0.300 1 382 38 38 PRO CA C 61.805 0.300 1 383 38 38 PRO CB C 32.530 0.300 1 384 38 38 PRO CD C 48.917 0.300 1 385 38 38 PRO CG C 25.824 0.300 1 386 39 39 ASN H H 8.871 0.030 1 387 39 39 ASN HA H 4.950 0.030 1 388 39 39 ASN HB2 H 2.813 0.030 2 389 39 39 ASN HB3 H 2.749 0.030 2 390 39 39 ASN HD21 H 6.995 0.030 2 391 39 39 ASN HD22 H 7.549 0.030 2 392 39 39 ASN C C 174.562 0.300 1 393 39 39 ASN CA C 53.585 0.300 1 394 39 39 ASN CB C 40.443 0.300 1 395 39 39 ASN N N 118.535 0.300 1 396 39 39 ASN ND2 N 113.047 0.300 1 397 40 40 ILE H H 8.864 0.030 1 398 40 40 ILE HA H 4.834 0.030 1 399 40 40 ILE HB H 1.723 0.030 1 400 40 40 ILE HD1 H 0.661 0.030 1 401 40 40 ILE HG12 H 1.530 0.030 2 402 40 40 ILE HG13 H 0.755 0.030 2 403 40 40 ILE HG2 H 0.739 0.030 1 404 40 40 ILE C C 175.332 0.300 1 405 40 40 ILE CA C 61.095 0.300 1 406 40 40 ILE CB C 40.044 0.300 1 407 40 40 ILE CD1 C 13.858 0.300 1 408 40 40 ILE CG1 C 27.713 0.300 1 409 40 40 ILE CG2 C 18.532 0.300 1 410 40 40 ILE N N 126.708 0.300 1 411 41 41 THR H H 9.172 0.030 1 412 41 41 THR HA H 4.532 0.030 1 413 41 41 THR HB H 3.860 0.030 1 414 41 41 THR HG2 H 1.122 0.030 1 415 41 41 THR C C 172.741 0.300 1 416 41 41 THR CA C 61.381 0.300 1 417 41 41 THR CB C 71.743 0.300 1 418 41 41 THR CG2 C 21.489 0.300 1 419 41 41 THR N N 124.210 0.300 1 420 42 42 ASP H H 8.931 0.030 1 421 42 42 ASP HA H 4.784 0.030 1 422 42 42 ASP HB2 H 2.588 0.030 2 423 42 42 ASP HB3 H 2.897 0.030 2 424 42 42 ASP C C 176.388 0.300 1 425 42 42 ASP CA C 53.364 0.300 1 426 42 42 ASP CB C 40.782 0.300 1 427 42 42 ASP N N 125.194 0.300 1 428 43 43 ASN H H 8.314 0.030 1 429 43 43 ASN HA H 4.601 0.030 1 430 43 43 ASN HB2 H 2.614 0.030 2 431 43 43 ASN HB3 H 2.975 0.030 2 432 43 43 ASN HD21 H 7.605 0.030 2 433 43 43 ASN HD22 H 7.937 0.030 2 434 43 43 ASN C C 175.906 0.300 1 435 43 43 ASN CA C 54.419 0.300 1 436 43 43 ASN CB C 38.429 0.300 1 437 43 43 ASN N N 124.732 0.300 1 438 43 43 ASN ND2 N 116.640 0.300 1 439 44 44 LYS H H 9.161 0.030 1 440 44 44 LYS HA H 4.067 0.030 1 441 44 44 LYS HB2 H 2.001 0.030 2 442 44 44 LYS HB3 H 2.125 0.030 2 443 44 44 LYS HD2 H 1.692 0.030 2 444 44 44 LYS HD3 H 1.591 0.030 2 445 44 44 LYS HE2 H 2.976 0.030 1 446 44 44 LYS HE3 H 2.976 0.030 1 447 44 44 LYS HG2 H 1.244 0.030 2 448 44 44 LYS HG3 H 1.288 0.030 2 449 44 44 LYS C C 175.085 0.300 1 450 44 44 LYS CA C 57.879 0.300 1 451 44 44 LYS CB C 28.534 0.300 1 452 44 44 LYS CD C 28.707 0.300 1 453 44 44 LYS CE C 42.293 0.300 1 454 44 44 LYS CG C 24.887 0.300 1 455 44 44 LYS N N 113.660 0.300 1 456 45 45 ASP H H 7.841 0.030 1 457 45 45 ASP HA H 4.739 0.030 1 458 45 45 ASP HB2 H 2.336 0.030 2 459 45 45 ASP HB3 H 2.996 0.030 2 460 45 45 ASP C C 177.502 0.300 1 461 45 45 ASP CA C 52.026 0.300 1 462 45 45 ASP CB C 41.111 0.300 1 463 45 45 ASP N N 118.349 0.300 1 464 46 46 GLY H H 8.845 0.030 1 465 46 46 GLY HA2 H 3.413 0.030 2 466 46 46 GLY HA3 H 4.295 0.030 2 467 46 46 GLY C C 173.838 0.300 1 468 46 46 GLY CA C 44.732 0.300 1 469 46 46 GLY N N 108.037 0.300 1 470 47 47 THR H H 7.972 0.030 1 471 47 47 THR HA H 5.314 0.030 1 472 47 47 THR HB H 3.999 0.030 1 473 47 47 THR HG2 H 0.900 0.030 1 474 47 47 THR C C 173.328 0.300 1 475 47 47 THR CA C 60.210 0.300 1 476 47 47 THR CB C 73.917 0.300 1 477 47 47 THR CG2 C 21.004 0.300 1 478 47 47 THR N N 110.213 0.300 1 479 48 48 ILE H H 8.833 0.030 1 480 48 48 ILE HA H 5.266 0.030 1 481 48 48 ILE HB H 1.747 0.030 1 482 48 48 ILE HD1 H 0.605 0.030 1 483 48 48 ILE HG12 H 1.272 0.030 2 484 48 48 ILE HG13 H 1.385 0.030 2 485 48 48 ILE HG2 H 1.017 0.030 1 486 48 48 ILE C C 174.488 0.300 1 487 48 48 ILE CA C 59.332 0.300 1 488 48 48 ILE CB C 41.380 0.300 1 489 48 48 ILE CD1 C 13.802 0.300 1 490 48 48 ILE CG1 C 26.230 0.300 1 491 48 48 ILE CG2 C 18.125 0.300 1 492 48 48 ILE N N 112.936 0.300 1 493 49 49 THR H H 9.162 0.030 1 494 49 49 THR HA H 5.227 0.030 1 495 49 49 THR HB H 3.920 0.030 1 496 49 49 THR HG2 H 1.025 0.030 1 497 49 49 THR C C 173.865 0.300 1 498 49 49 THR CA C 61.533 0.300 1 499 49 49 THR CB C 70.753 0.300 1 500 49 49 THR CG2 C 22.622 0.300 1 501 49 49 THR N N 118.200 0.300 1 502 50 50 VAL H H 9.470 0.030 1 503 50 50 VAL HA H 4.827 0.030 1 504 50 50 VAL HB H 1.929 0.030 1 505 50 50 VAL HG1 H 0.884 0.030 1 506 50 50 VAL HG2 H 0.861 0.030 1 507 50 50 VAL C C 173.602 0.300 1 508 50 50 VAL CA C 60.422 0.300 1 509 50 50 VAL CB C 33.645 0.300 1 510 50 50 VAL CG1 C 21.965 0.300 2 511 50 50 VAL CG2 C 21.025 0.300 2 512 50 50 VAL N N 128.141 0.300 1 513 51 51 ARG H H 8.881 0.030 1 514 51 51 ARG HA H 5.385 0.030 1 515 51 51 ARG HB2 H 1.612 0.030 2 516 51 51 ARG HB3 H 1.778 0.030 2 517 51 51 ARG HD2 H 3.082 0.030 1 518 51 51 ARG HD3 H 3.082 0.030 1 519 51 51 ARG HG2 H 1.564 0.030 1 520 51 51 ARG HG3 H 1.564 0.030 1 521 51 51 ARG C C 175.239 0.300 1 522 51 51 ARG CA C 54.465 0.300 1 523 51 51 ARG CB C 34.363 0.300 1 524 51 51 ARG CD C 43.450 0.300 1 525 51 51 ARG CG C 28.372 0.300 1 526 51 51 ARG N N 124.602 0.300 1 527 52 52 TYR H H 8.851 0.030 1 528 52 52 TYR HA H 4.883 0.030 1 529 52 52 TYR HB2 H 2.450 0.030 2 530 52 52 TYR HB3 H 2.881 0.030 2 531 52 52 TYR HD1 H 6.853 0.030 1 532 52 52 TYR HD2 H 6.853 0.030 1 533 52 52 TYR HE1 H 6.669 0.030 1 534 52 52 TYR HE2 H 6.669 0.030 1 535 52 52 TYR C C 171.656 0.300 1 536 52 52 TYR CA C 57.242 0.300 1 537 52 52 TYR CB C 42.312 0.300 1 538 52 52 TYR CD1 C 132.164 0.300 1 539 52 52 TYR CD2 C 132.164 0.300 1 540 52 52 TYR CE1 C 118.429 0.300 1 541 52 52 TYR CE2 C 118.429 0.300 1 542 52 52 TYR N N 122.325 0.300 1 543 53 53 ALA H H 8.059 0.030 1 544 53 53 ALA HA H 4.686 0.030 1 545 53 53 ALA HB H 1.133 0.030 1 546 53 53 ALA C C 172.882 0.300 1 547 53 53 ALA CA C 47.930 0.300 1 548 53 53 ALA CB C 18.329 0.300 1 549 53 53 ALA N N 134.522 0.300 1 550 54 54 PRO HA H 4.203 0.030 1 551 54 54 PRO HB2 H 1.935 0.030 2 552 54 54 PRO HB3 H 2.225 0.030 2 553 54 54 PRO HD2 H 3.491 0.030 2 554 54 54 PRO HD3 H 4.095 0.030 2 555 54 54 PRO HG2 H 2.035 0.030 2 556 54 54 PRO HG3 H 1.851 0.030 2 557 54 54 PRO C C 176.206 0.300 1 558 54 54 PRO CA C 62.676 0.300 1 559 54 54 PRO CB C 34.375 0.300 1 560 54 54 PRO CD C 51.613 0.300 1 561 54 54 PRO CG C 27.957 0.300 1 562 55 55 THR H H 8.818 0.030 1 563 55 55 THR HA H 4.335 0.030 1 564 55 55 THR HB H 4.409 0.030 1 565 55 55 THR HG2 H 1.134 0.030 1 566 55 55 THR C C 174.182 0.300 1 567 55 55 THR CA C 61.043 0.300 1 568 55 55 THR CB C 69.891 0.300 1 569 55 55 THR CG2 C 22.287 0.300 1 570 55 55 THR N N 107.542 0.300 1 571 56 56 GLU H H 7.649 0.030 1 572 56 56 GLU HA H 4.566 0.030 1 573 56 56 GLU HB2 H 1.680 0.030 2 574 56 56 GLU HB3 H 2.132 0.030 2 575 56 56 GLU HG2 H 2.256 0.030 1 576 56 56 GLU HG3 H 2.256 0.030 1 577 56 56 GLU C C 174.018 0.300 1 578 56 56 GLU CA C 54.552 0.300 1 579 56 56 GLU CB C 34.075 0.300 1 580 56 56 GLU CG C 35.917 0.300 1 581 56 56 GLU N N 121.534 0.300 1 582 57 57 LYS H H 8.188 0.030 1 583 57 57 LYS HA H 4.169 0.030 1 584 57 57 LYS HB2 H 1.774 0.030 1 585 57 57 LYS HB3 H 1.774 0.030 1 586 57 57 LYS HD2 H 1.721 0.030 1 587 57 57 LYS HD3 H 1.721 0.030 1 588 57 57 LYS HE2 H 2.974 0.030 2 589 57 57 LYS HE3 H 3.030 0.030 2 590 57 57 LYS HG2 H 1.298 0.030 2 591 57 57 LYS HG3 H 1.467 0.030 2 592 57 57 LYS C C 176.691 0.300 1 593 57 57 LYS CA C 55.796 0.300 1 594 57 57 LYS CB C 33.815 0.300 1 595 57 57 LYS CD C 29.740 0.300 1 596 57 57 LYS CE C 42.132 0.300 1 597 57 57 LYS CG C 25.670 0.300 1 598 57 57 LYS N N 117.941 0.300 1 599 58 58 GLY H H 8.980 0.030 1 600 58 58 GLY HA2 H 3.183 0.030 2 601 58 58 GLY HA3 H 4.487 0.030 2 602 58 58 GLY C C 176.194 0.300 1 603 58 58 GLY CA C 43.680 0.300 1 604 58 58 GLY N N 106.620 0.300 1 605 59 59 LEU H H 9.129 0.030 1 606 59 59 LEU HA H 4.243 0.030 1 607 59 59 LEU HB2 H 1.840 0.030 2 608 59 59 LEU HB3 H 1.432 0.030 2 609 59 59 LEU HD1 H 0.798 0.030 1 610 59 59 LEU HD2 H 0.842 0.030 1 611 59 59 LEU HG H 1.298 0.030 1 612 59 59 LEU C C 174.866 0.300 1 613 59 59 LEU CA C 56.529 0.300 1 614 59 59 LEU CB C 42.187 0.300 1 615 59 59 LEU CD1 C 23.338 0.300 2 616 59 59 LEU CD2 C 25.290 0.300 2 617 59 59 LEU CG C 26.916 0.300 1 618 59 59 LEU N N 126.837 0.300 1 619 60 60 HIS H H 9.236 0.030 1 620 60 60 HIS HA H 4.524 0.030 1 621 60 60 HIS HB2 H 1.908 0.030 2 622 60 60 HIS HB3 H 0.817 0.030 2 623 60 60 HIS HD2 H 6.366 0.030 1 624 60 60 HIS HE1 H 7.758 0.030 1 625 60 60 HIS C C 173.637 0.300 1 626 60 60 HIS CA C 54.586 0.300 1 627 60 60 HIS CB C 31.930 0.300 1 628 60 60 HIS CD2 C 126.913 0.300 1 629 60 60 HIS CE1 C 140.394 0.300 1 630 60 60 HIS N N 126.734 0.300 1 631 61 61 GLN H H 8.035 0.030 1 632 61 61 GLN HA H 5.087 0.030 1 633 61 61 GLN HB2 H 1.959 0.030 2 634 61 61 GLN HB3 H 1.887 0.030 2 635 61 61 GLN HE21 H 7.408 0.030 2 636 61 61 GLN HE22 H 6.732 0.030 2 637 61 61 GLN HG2 H 2.173 0.030 2 638 61 61 GLN HG3 H 2.254 0.030 2 639 61 61 GLN C C 174.579 0.300 1 640 61 61 GLN CA C 54.243 0.300 1 641 61 61 GLN CB C 32.217 0.300 1 642 61 61 GLN CG C 34.415 0.300 1 643 61 61 GLN N N 117.055 0.300 1 644 61 61 GLN NE2 N 111.280 0.300 1 645 62 62 MET H H 9.565 0.030 1 646 62 62 MET HA H 5.402 0.030 1 647 62 62 MET HB2 H 2.028 0.030 2 648 62 62 MET HB3 H 1.842 0.030 2 649 62 62 MET HE H 1.503 0.030 1 650 62 62 MET HG2 H 2.196 0.030 2 651 62 62 MET HG3 H 2.067 0.030 2 652 62 62 MET C C 173.099 0.300 1 653 62 62 MET CA C 54.164 0.300 1 654 62 62 MET CB C 37.432 0.300 1 655 62 62 MET CE C 16.768 0.300 1 656 62 62 MET CG C 31.057 0.300 1 657 62 62 MET N N 125.702 0.300 1 658 63 63 GLY H H 8.936 0.030 1 659 63 63 GLY HA2 H 3.681 0.030 2 660 63 63 GLY HA3 H 5.082 0.030 2 661 63 63 GLY C C 172.430 0.300 1 662 63 63 GLY CA C 43.820 0.300 1 663 63 63 GLY N N 114.510 0.300 1 664 64 64 ILE H H 9.862 0.030 1 665 64 64 ILE HA H 4.652 0.030 1 666 64 64 ILE HB H 1.548 0.030 1 667 64 64 ILE HD1 H 0.768 0.030 1 668 64 64 ILE HG12 H 1.251 0.030 2 669 64 64 ILE HG13 H 0.982 0.030 2 670 64 64 ILE HG2 H 0.615 0.030 1 671 64 64 ILE C C 173.753 0.300 1 672 64 64 ILE CA C 59.949 0.300 1 673 64 64 ILE CB C 39.490 0.300 1 674 64 64 ILE CD1 C 13.605 0.300 1 675 64 64 ILE CG1 C 26.986 0.300 1 676 64 64 ILE CG2 C 18.246 0.300 1 677 64 64 ILE N N 127.930 0.300 1 678 65 65 LYS H H 8.832 0.030 1 679 65 65 LYS HA H 4.801 0.030 1 680 65 65 LYS HB2 H 0.822 0.030 2 681 65 65 LYS HB3 H 1.363 0.030 2 682 65 65 LYS HD2 H 0.870 0.030 2 683 65 65 LYS HD3 H 1.057 0.030 2 684 65 65 LYS HE2 H 2.193 0.030 2 685 65 65 LYS HE3 H 1.902 0.030 2 686 65 65 LYS HG2 H 0.078 0.030 2 687 65 65 LYS HG3 H 0.696 0.030 2 688 65 65 LYS C C 174.081 0.300 1 689 65 65 LYS CA C 53.997 0.300 1 690 65 65 LYS CB C 37.023 0.300 1 691 65 65 LYS CD C 29.424 0.300 1 692 65 65 LYS CE C 41.308 0.300 1 693 65 65 LYS CG C 24.779 0.300 1 694 65 65 LYS N N 124.001 0.300 1 695 66 66 TYR H H 8.830 0.030 1 696 66 66 TYR HA H 5.244 0.030 1 697 66 66 TYR HB2 H 2.483 0.030 2 698 66 66 TYR HB3 H 2.862 0.030 2 699 66 66 TYR HD1 H 7.100 0.030 1 700 66 66 TYR HD2 H 7.100 0.030 1 701 66 66 TYR HE1 H 6.879 0.030 1 702 66 66 TYR HE2 H 6.879 0.030 1 703 66 66 TYR C C 175.900 0.300 1 704 66 66 TYR CA C 55.540 0.300 1 705 66 66 TYR CB C 41.491 0.300 1 706 66 66 TYR CD1 C 133.135 0.300 1 707 66 66 TYR CD2 C 133.135 0.300 1 708 66 66 TYR CE1 C 118.354 0.300 1 709 66 66 TYR CE2 C 118.354 0.300 1 710 66 66 TYR N N 120.395 0.300 1 711 67 67 ASP H H 9.291 0.030 1 712 67 67 ASP HA H 4.167 0.030 1 713 67 67 ASP HB2 H 2.064 0.030 2 714 67 67 ASP HB3 H 2.830 0.030 2 715 67 67 ASP C C 175.594 0.300 1 716 67 67 ASP CA C 55.327 0.300 1 717 67 67 ASP CB C 39.492 0.300 1 718 67 67 ASP N N 129.896 0.300 1 719 68 68 GLY H H 8.286 0.030 1 720 68 68 GLY HA2 H 3.337 0.030 2 721 68 68 GLY HA3 H 4.114 0.030 2 722 68 68 GLY C C 173.315 0.300 1 723 68 68 GLY CA C 45.342 0.300 1 724 68 68 GLY N N 100.124 0.300 1 725 69 69 ASN H H 7.619 0.030 1 726 69 69 ASN HA H 5.122 0.030 1 727 69 69 ASN HB2 H 2.769 0.030 1 728 69 69 ASN HB3 H 2.769 0.030 1 729 69 69 ASN HD21 H 7.029 0.030 2 730 69 69 ASN HD22 H 7.714 0.030 2 731 69 69 ASN C C 174.879 0.300 1 732 69 69 ASN CA C 51.374 0.300 1 733 69 69 ASN CB C 41.231 0.300 1 734 69 69 ASN N N 118.214 0.300 1 735 69 69 ASN ND2 N 115.819 0.300 1 736 70 70 HIS H H 8.832 0.030 1 737 70 70 HIS HA H 4.435 0.030 1 738 70 70 HIS HB2 H 2.854 0.030 2 739 70 70 HIS HB3 H 3.143 0.030 2 740 70 70 HIS HD2 H 7.189 0.030 1 741 70 70 HIS HE1 H 7.627 0.030 1 742 70 70 HIS C C 177.553 0.300 1 743 70 70 HIS CA C 58.994 0.300 1 744 70 70 HIS CB C 32.122 0.300 1 745 70 70 HIS CD2 C 117.925 0.300 1 746 70 70 HIS CE1 C 137.436 0.300 1 747 70 70 HIS N N 123.229 0.300 1 748 71 71 ILE H H 8.130 0.030 1 749 71 71 ILE HA H 4.461 0.030 1 750 71 71 ILE HB H 1.575 0.030 1 751 71 71 ILE HD1 H 0.418 0.030 1 752 71 71 ILE HG12 H 0.906 0.030 2 753 71 71 ILE HG13 H 1.076 0.030 2 754 71 71 ILE HG2 H 0.166 0.030 1 755 71 71 ILE C C 173.091 0.300 1 756 71 71 ILE CA C 60.546 0.300 1 757 71 71 ILE CB C 35.808 0.300 1 758 71 71 ILE CD1 C 14.683 0.300 1 759 71 71 ILE CG1 C 24.559 0.300 1 760 71 71 ILE CG2 C 18.232 0.300 1 761 71 71 ILE N N 119.164 0.300 1 762 72 72 PRO HA H 4.383 0.030 1 763 72 72 PRO HB2 H 1.942 0.030 2 764 72 72 PRO HB3 H 2.338 0.030 2 765 72 72 PRO HD2 H 3.607 0.030 2 766 72 72 PRO HD3 H 3.975 0.030 2 767 72 72 PRO HG2 H 2.285 0.030 2 768 72 72 PRO HG3 H 2.069 0.030 2 769 72 72 PRO C C 177.513 0.300 1 770 72 72 PRO CA C 64.756 0.300 1 771 72 72 PRO CB C 30.847 0.300 1 772 72 72 PRO CD C 50.603 0.300 1 773 72 72 PRO CG C 28.537 0.300 1 774 73 73 GLY H H 8.577 0.030 1 775 73 73 GLY HA2 H 3.514 0.030 2 776 73 73 GLY HA3 H 4.233 0.030 2 777 73 73 GLY C C 172.743 0.300 1 778 73 73 GLY CA C 44.745 0.300 1 779 73 73 GLY N N 112.679 0.300 1 780 74 74 SER H H 8.095 0.030 1 781 74 74 SER HA H 4.880 0.030 1 782 74 74 SER HB2 H 3.418 0.030 2 783 74 74 SER HB3 H 4.510 0.030 2 784 74 74 SER C C 173.745 0.300 1 785 74 74 SER CA C 53.859 0.300 1 786 74 74 SER CB C 63.583 0.300 1 787 74 74 SER N N 113.003 0.300 1 788 75 75 PRO HA H 5.652 0.030 1 789 75 75 PRO HB2 H 1.911 0.030 2 790 75 75 PRO HB3 H 2.157 0.030 2 791 75 75 PRO HD2 H 3.284 0.030 2 792 75 75 PRO HD3 H 2.081 0.030 2 793 75 75 PRO HG2 H 1.666 0.030 1 794 75 75 PRO HG3 H 1.666 0.030 1 795 75 75 PRO C C 175.796 0.300 1 796 75 75 PRO CA C 62.927 0.300 1 797 75 75 PRO CB C 35.117 0.300 1 798 75 75 PRO CD C 49.732 0.300 1 799 75 75 PRO CG C 24.450 0.300 1 800 76 76 LEU H H 9.321 0.030 1 801 76 76 LEU HA H 4.941 0.030 1 802 76 76 LEU HB2 H 1.822 0.030 2 803 76 76 LEU HB3 H 2.041 0.030 2 804 76 76 LEU HD1 H 0.917 0.030 1 805 76 76 LEU HD2 H 0.938 0.030 1 806 76 76 LEU HG H 1.846 0.030 1 807 76 76 LEU C C 175.366 0.300 1 808 76 76 LEU CA C 54.203 0.300 1 809 76 76 LEU CB C 44.597 0.300 1 810 76 76 LEU CD1 C 26.273 0.300 2 811 76 76 LEU CD2 C 26.565 0.300 2 812 76 76 LEU CG C 26.609 0.300 1 813 76 76 LEU N N 119.394 0.300 1 814 77 77 GLN H H 8.732 0.030 1 815 77 77 GLN HA H 5.416 0.030 1 816 77 77 GLN HB2 H 2.005 0.030 1 817 77 77 GLN HB3 H 2.005 0.030 1 818 77 77 GLN HE21 H 6.798 0.030 2 819 77 77 GLN HE22 H 7.443 0.030 2 820 77 77 GLN HG2 H 2.352 0.030 2 821 77 77 GLN HG3 H 2.259 0.030 2 822 77 77 GLN C C 174.963 0.300 1 823 77 77 GLN CA C 54.172 0.300 1 824 77 77 GLN CB C 31.906 0.300 1 825 77 77 GLN CG C 34.304 0.300 1 826 77 77 GLN N N 119.515 0.300 1 827 77 77 GLN NE2 N 111.030 0.300 1 828 78 78 PHE H H 8.383 0.030 1 829 78 78 PHE HA H 5.013 0.030 1 830 78 78 PHE HB2 H 2.779 0.030 1 831 78 78 PHE HB3 H 2.779 0.030 1 832 78 78 PHE HD1 H 6.460 0.030 1 833 78 78 PHE HD2 H 6.460 0.030 1 834 78 78 PHE HE1 H 6.418 0.030 1 835 78 78 PHE HE2 H 6.418 0.030 1 836 78 78 PHE HZ H 6.418 0.030 1 837 78 78 PHE C C 171.658 0.300 1 838 78 78 PHE CA C 55.907 0.300 1 839 78 78 PHE CB C 40.956 0.300 1 840 78 78 PHE CD1 C 132.857 0.300 1 841 78 78 PHE CD2 C 132.857 0.300 1 842 78 78 PHE CE1 C 129.212 0.300 1 843 78 78 PHE CE2 C 129.212 0.300 1 844 78 78 PHE CZ C 127.854 0.300 1 845 78 78 PHE N N 116.930 0.300 1 846 79 79 TYR H H 9.210 0.030 1 847 79 79 TYR HA H 4.691 0.030 1 848 79 79 TYR HB2 H 2.789 0.030 2 849 79 79 TYR HB3 H 3.075 0.030 2 850 79 79 TYR HD1 H 6.924 0.030 1 851 79 79 TYR HD2 H 6.924 0.030 1 852 79 79 TYR HE1 H 6.828 0.030 1 853 79 79 TYR HE2 H 6.828 0.030 1 854 79 79 TYR C C 175.245 0.300 1 855 79 79 TYR CA C 57.859 0.300 1 856 79 79 TYR CB C 40.813 0.300 1 857 79 79 TYR CD1 C 132.760 0.300 1 858 79 79 TYR CD2 C 132.760 0.300 1 859 79 79 TYR CE1 C 118.595 0.300 1 860 79 79 TYR CE2 C 118.595 0.300 1 861 79 79 TYR N N 124.203 0.300 1 862 80 80 VAL H H 7.987 0.030 1 863 80 80 VAL HA H 4.325 0.030 1 864 80 80 VAL HB H 2.286 0.030 1 865 80 80 VAL HG1 H 1.042 0.030 1 866 80 80 VAL HG2 H 0.758 0.030 1 867 80 80 VAL C C 174.232 0.300 1 868 80 80 VAL CA C 62.274 0.300 1 869 80 80 VAL CB C 33.202 0.300 1 870 80 80 VAL CG1 C 22.588 0.300 2 871 80 80 VAL CG2 C 21.918 0.300 2 872 80 80 VAL N N 129.202 0.300 1 873 81 81 ASP H H 8.556 0.030 1 874 81 81 ASP HA H 4.871 0.030 1 875 81 81 ASP HB2 H 2.741 0.030 2 876 81 81 ASP HB3 H 2.876 0.030 2 877 81 81 ASP C C 174.678 0.300 1 878 81 81 ASP CA C 52.258 0.300 1 879 81 81 ASP CB C 43.564 0.300 1 880 81 81 ASP N N 127.747 0.300 1 881 82 82 ALA H H 8.646 0.030 1 882 82 82 ALA HA H 4.536 0.030 1 883 82 82 ALA HB H 1.379 0.030 1 884 82 82 ALA C C 177.915 0.300 1 885 82 82 ALA CA C 51.919 0.300 1 886 82 82 ALA CB C 19.945 0.300 1 887 82 82 ALA N N 120.953 0.300 1 888 83 83 ILE H H 8.295 0.030 1 889 83 83 ILE HA H 4.013 0.030 1 890 83 83 ILE HB H 1.745 0.030 1 891 83 83 ILE HD1 H 0.815 0.030 1 892 83 83 ILE HG12 H 1.049 0.030 2 893 83 83 ILE HG13 H 1.392 0.030 2 894 83 83 ILE HG2 H 0.856 0.030 1 895 83 83 ILE C C 175.944 0.300 1 896 83 83 ILE CA C 62.065 0.300 1 897 83 83 ILE CB C 39.069 0.300 1 898 83 83 ILE CD1 C 13.366 0.300 1 899 83 83 ILE CG1 C 27.779 0.300 1 900 83 83 ILE CG2 C 17.436 0.300 1 901 83 83 ILE N N 119.618 0.300 1 902 84 84 ASN H H 8.511 0.030 1 903 84 84 ASN HA H 4.776 0.030 1 904 84 84 ASN HB2 H 2.832 0.030 2 905 84 84 ASN HB3 H 2.800 0.030 2 906 84 84 ASN HD21 H 7.622 0.030 2 907 84 84 ASN HD22 H 6.909 0.030 2 908 84 84 ASN C C 175.073 0.300 1 909 84 84 ASN CA C 53.086 0.300 1 910 84 84 ASN CB C 39.014 0.300 1 911 84 84 ASN N N 121.092 0.300 1 912 84 84 ASN ND2 N 112.770 0.300 1 913 86 86 ARG HA H 4.373 0.030 1 914 86 86 ARG HB2 H 1.809 0.030 2 915 86 86 ARG HB3 H 1.725 0.030 2 916 86 86 ARG HD2 H 3.167 0.030 1 917 86 86 ARG HD3 H 3.167 0.030 1 918 86 86 ARG HG2 H 1.552 0.030 1 919 86 86 ARG HG3 H 1.552 0.030 1 920 86 86 ARG CA C 56.168 0.300 1 921 86 86 ARG CB C 30.784 0.300 1 922 86 86 ARG CD C 43.323 0.300 1 923 86 86 ARG CG C 27.106 0.300 1 924 87 87 HIS HA H 4.653 0.030 1 925 87 87 HIS HB2 H 3.146 0.030 2 926 87 87 HIS HB3 H 3.072 0.030 2 927 87 87 HIS HD2 H 7.014 0.030 1 928 87 87 HIS HE1 H 7.795 0.030 1 929 87 87 HIS CA C 56.418 0.300 1 930 87 87 HIS CB C 31.156 0.300 1 931 87 87 HIS CD2 C 119.944 0.300 1 932 87 87 HIS CE1 C 138.542 0.300 1 933 88 88 SER HA H 4.482 0.030 1 934 88 88 SER HB2 H 3.832 0.030 2 935 88 88 SER CA C 58.033 0.300 1 936 88 88 SER CB C 63.965 0.300 1 937 89 89 GLY H H 8.247 0.030 1 938 89 89 GLY HA2 H 4.110 0.030 1 939 89 89 GLY HA3 H 4.110 0.030 1 940 89 89 GLY CA C 44.635 0.300 1 941 89 89 GLY N N 110.940 0.300 1 942 90 90 PRO HA H 4.473 0.030 1 943 90 90 PRO HB2 H 1.967 0.030 2 944 90 90 PRO HB3 H 2.289 0.030 2 945 90 90 PRO HD2 H 3.618 0.030 1 946 90 90 PRO HD3 H 3.618 0.030 1 947 90 90 PRO HG2 H 2.008 0.030 1 948 90 90 PRO HG3 H 2.008 0.030 1 949 90 90 PRO C C 177.404 0.300 1 950 90 90 PRO CA C 63.277 0.300 1 951 90 90 PRO CB C 32.216 0.300 1 952 90 90 PRO CD C 49.782 0.300 1 953 90 90 PRO CG C 27.176 0.300 1 954 91 91 SER H H 8.515 0.030 1 955 91 91 SER HA H 4.486 0.030 1 956 91 91 SER HB2 H 3.896 0.030 1 957 91 91 SER HB3 H 3.896 0.030 1 958 91 91 SER C C 174.621 0.300 1 959 91 91 SER CA C 58.296 0.300 1 960 91 91 SER CB C 63.926 0.300 1 961 91 91 SER N N 116.406 0.300 1 962 92 92 SER H H 8.304 0.030 1 963 92 92 SER HA H 4.481 0.030 1 964 92 92 SER HB2 H 3.826 0.030 1 965 92 92 SER HB3 H 3.826 0.030 1 966 92 92 SER C C 173.917 0.300 1 967 92 92 SER CA C 58.377 0.300 1 968 92 92 SER CB C 64.035 0.300 1 969 92 92 SER N N 117.781 0.300 1 970 93 93 GLY H H 8.035 0.030 1 971 93 93 GLY HA2 H 3.780 0.030 2 972 93 93 GLY HA3 H 3.728 0.030 2 973 93 93 GLY C C 178.986 0.300 1 974 93 93 GLY CA C 46.205 0.300 1 975 93 93 GLY N N 116.837 0.300 1 stop_ save_