data_10330 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the 17th Filamin domain from human Filamin C ; _BMRB_accession_number 10330 _BMRB_flat_file_name bmr10330.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" 562 "13C chemical shifts" 437 "15N chemical shifts" 99 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 17th 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 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 111 _Mol_residue_sequence ; GSSGSSGAINSRHVSAYGPG LSHGMVNKPATFTIVTKDAG EGGLSLAVEGPSKAEITCKD NKDGTCTVSYLPTAPGDYSI IVRFDDKHIPGSPFTAKITG DDSMRSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ALA 9 ILE 10 ASN 11 SER 12 ARG 13 HIS 14 VAL 15 SER 16 ALA 17 TYR 18 GLY 19 PRO 20 GLY 21 LEU 22 SER 23 HIS 24 GLY 25 MET 26 VAL 27 ASN 28 LYS 29 PRO 30 ALA 31 THR 32 PHE 33 THR 34 ILE 35 VAL 36 THR 37 LYS 38 ASP 39 ALA 40 GLY 41 GLU 42 GLY 43 GLY 44 LEU 45 SER 46 LEU 47 ALA 48 VAL 49 GLU 50 GLY 51 PRO 52 SER 53 LYS 54 ALA 55 GLU 56 ILE 57 THR 58 CYS 59 LYS 60 ASP 61 ASN 62 LYS 63 ASP 64 GLY 65 THR 66 CYS 67 THR 68 VAL 69 SER 70 TYR 71 LEU 72 PRO 73 THR 74 ALA 75 PRO 76 GLY 77 ASP 78 TYR 79 SER 80 ILE 81 ILE 82 VAL 83 ARG 84 PHE 85 ASP 86 ASP 87 LYS 88 HIS 89 ILE 90 PRO 91 GLY 92 SER 93 PRO 94 PHE 95 THR 96 ALA 97 LYS 98 ILE 99 THR 100 GLY 101 ASP 102 ASP 103 SER 104 MET 105 ARG 106 SER 107 GLY 108 PRO 109 SER 110 SER 111 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 2D7O "Solution Structure Of The 17th Filamin Domain From Human Filamin C" 100.00 111 100.00 100.00 5.49e-72 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 P050404-10 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 1.16 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 298 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 3.838 0.030 1 2 1 1 GLY HA3 H 3.838 0.030 1 3 1 1 GLY CA C 43.695 0.300 1 4 4 4 GLY HA2 H 4.003 0.030 1 5 4 4 GLY HA3 H 4.003 0.030 1 6 4 4 GLY CA C 45.380 0.300 1 7 7 7 GLY HA2 H 3.945 0.030 1 8 7 7 GLY HA3 H 3.945 0.030 1 9 7 7 GLY C C 173.875 0.300 1 10 7 7 GLY CA C 45.338 0.300 1 11 8 8 ALA H H 8.115 0.030 1 12 8 8 ALA HA H 4.315 0.030 1 13 8 8 ALA HB H 1.361 0.030 1 14 8 8 ALA C C 177.952 0.300 1 15 8 8 ALA CA C 52.573 0.300 1 16 8 8 ALA CB C 19.250 0.300 1 17 8 8 ALA N N 123.836 0.300 1 18 9 9 ILE H H 8.139 0.030 1 19 9 9 ILE HA H 4.148 0.030 1 20 9 9 ILE HB H 1.843 0.030 1 21 9 9 ILE HD1 H 0.826 0.030 1 22 9 9 ILE HG12 H 1.161 0.030 2 23 9 9 ILE HG13 H 1.460 0.030 2 24 9 9 ILE HG2 H 0.878 0.030 1 25 9 9 ILE C C 176.310 0.300 1 26 9 9 ILE CA C 61.327 0.300 1 27 9 9 ILE CB C 38.637 0.300 1 28 9 9 ILE CD1 C 12.982 0.300 1 29 9 9 ILE CG1 C 27.382 0.300 1 30 9 9 ILE CG2 C 17.552 0.300 1 31 9 9 ILE N N 119.944 0.300 1 32 10 10 ASN H H 8.554 0.030 1 33 10 10 ASN HA H 4.742 0.030 1 34 10 10 ASN HB2 H 2.863 0.030 2 35 10 10 ASN HB3 H 2.775 0.030 2 36 10 10 ASN HD21 H 7.628 0.030 2 37 10 10 ASN HD22 H 6.948 0.030 2 38 10 10 ASN C C 175.424 0.300 1 39 10 10 ASN CA C 53.485 0.300 1 40 10 10 ASN CB C 38.926 0.300 1 41 10 10 ASN N N 122.513 0.300 1 42 10 10 ASN ND2 N 112.814 0.300 1 43 11 11 SER H H 8.328 0.030 1 44 11 11 SER HA H 4.296 0.030 1 45 11 11 SER HB2 H 3.910 0.030 1 46 11 11 SER HB3 H 3.910 0.030 1 47 11 11 SER C C 174.426 0.300 1 48 11 11 SER CA C 59.187 0.300 1 49 11 11 SER CB C 63.557 0.300 1 50 11 11 SER N N 116.458 0.300 1 51 12 12 ARG H H 8.107 0.030 1 52 12 12 ARG HA H 4.356 0.030 1 53 12 12 ARG HB2 H 1.778 0.030 1 54 12 12 ARG HB3 H 1.778 0.030 1 55 12 12 ARG HD2 H 3.155 0.030 1 56 12 12 ARG HD3 H 3.155 0.030 1 57 12 12 ARG HG2 H 1.562 0.030 1 58 12 12 ARG HG3 H 1.562 0.030 1 59 12 12 ARG C C 175.760 0.300 1 60 12 12 ARG CA C 56.120 0.300 1 61 12 12 ARG CB C 30.256 0.300 1 62 12 12 ARG CD C 43.432 0.300 1 63 12 12 ARG CG C 26.792 0.300 1 64 12 12 ARG N N 121.224 0.300 1 65 13 13 HIS H H 7.945 0.030 1 66 13 13 HIS HA H 4.651 0.030 1 67 13 13 HIS HB2 H 3.130 0.030 2 68 13 13 HIS HB3 H 2.926 0.030 2 69 13 13 HIS HD2 H 6.942 0.030 1 70 13 13 HIS HE1 H 7.871 0.030 1 71 13 13 HIS C C 174.167 0.300 1 72 13 13 HIS CA C 55.774 0.300 1 73 13 13 HIS CB C 31.202 0.300 1 74 13 13 HIS CD2 C 120.605 0.300 1 75 13 13 HIS CE1 C 138.242 0.300 1 76 13 13 HIS N N 118.914 0.300 1 77 14 14 VAL H H 7.805 0.030 1 78 14 14 VAL HA H 4.216 0.030 1 79 14 14 VAL HB H 1.747 0.030 1 80 14 14 VAL HG1 H 0.668 0.030 1 81 14 14 VAL HG2 H 0.253 0.030 1 82 14 14 VAL C C 174.505 0.300 1 83 14 14 VAL CA C 61.910 0.300 1 84 14 14 VAL CB C 33.310 0.300 1 85 14 14 VAL CG1 C 22.044 0.300 2 86 14 14 VAL CG2 C 21.536 0.300 2 87 14 14 VAL N N 121.630 0.300 1 88 15 15 SER H H 7.825 0.030 1 89 15 15 SER HA H 5.016 0.030 1 90 15 15 SER HB2 H 3.882 0.030 1 91 15 15 SER HB3 H 3.882 0.030 1 92 15 15 SER C C 171.852 0.300 1 93 15 15 SER CA C 56.905 0.300 1 94 15 15 SER CB C 66.252 0.300 1 95 15 15 SER N N 117.930 0.300 1 96 16 16 ALA H H 8.472 0.030 1 97 16 16 ALA HA H 5.648 0.030 1 98 16 16 ALA HB H 1.169 0.030 1 99 16 16 ALA C C 175.508 0.300 1 100 16 16 ALA CA C 50.639 0.300 1 101 16 16 ALA CB C 23.372 0.300 1 102 16 16 ALA N N 122.038 0.300 1 103 17 17 TYR H H 8.788 0.030 1 104 17 17 TYR HA H 4.762 0.030 1 105 17 17 TYR HB2 H 2.979 0.030 2 106 17 17 TYR HB3 H 3.128 0.030 2 107 17 17 TYR HD1 H 6.876 0.030 1 108 17 17 TYR HD2 H 6.876 0.030 1 109 17 17 TYR HE1 H 6.688 0.030 1 110 17 17 TYR HE2 H 6.688 0.030 1 111 17 17 TYR C C 173.068 0.300 1 112 17 17 TYR CA C 56.863 0.300 1 113 17 17 TYR CB C 39.998 0.300 1 114 17 17 TYR CD1 C 133.831 0.300 1 115 17 17 TYR CD2 C 133.831 0.300 1 116 17 17 TYR CE1 C 117.648 0.300 1 117 17 17 TYR CE2 C 117.648 0.300 1 118 17 17 TYR N N 116.586 0.300 1 119 18 18 GLY H H 8.769 0.030 1 120 18 18 GLY HA2 H 4.168 0.030 2 121 18 18 GLY HA3 H 5.090 0.030 2 122 18 18 GLY C C 173.871 0.300 1 123 18 18 GLY CA C 44.557 0.300 1 124 18 18 GLY N N 109.060 0.300 1 125 19 19 PRO HA H 4.332 0.030 1 126 19 19 PRO HB2 H 2.350 0.030 2 127 19 19 PRO HB3 H 2.050 0.030 2 128 19 19 PRO HD2 H 3.675 0.030 2 129 19 19 PRO HD3 H 3.865 0.030 2 130 19 19 PRO HG2 H 2.142 0.030 2 131 19 19 PRO HG3 H 2.382 0.030 2 132 19 19 PRO C C 178.204 0.300 1 133 19 19 PRO CA C 65.631 0.300 1 134 19 19 PRO CB C 31.561 0.300 1 135 19 19 PRO CD C 50.120 0.300 1 136 19 19 PRO CG C 27.497 0.300 1 137 20 20 GLY H H 8.833 0.030 1 138 20 20 GLY HA2 H 4.290 0.030 2 139 20 20 GLY HA3 H 3.313 0.030 2 140 20 20 GLY C C 172.776 0.300 1 141 20 20 GLY CA C 46.233 0.300 1 142 20 20 GLY N N 102.659 0.300 1 143 21 21 LEU H H 6.944 0.030 1 144 21 21 LEU HA H 3.742 0.030 1 145 21 21 LEU HB2 H 1.349 0.030 2 146 21 21 LEU HB3 H 0.948 0.030 2 147 21 21 LEU HD1 H -0.099 0.030 1 148 21 21 LEU HD2 H -1.224 0.030 1 149 21 21 LEU HG H 0.472 0.030 1 150 21 21 LEU C C 175.991 0.300 1 151 21 21 LEU CA C 55.339 0.300 1 152 21 21 LEU CB C 41.377 0.300 1 153 21 21 LEU CD1 C 23.666 0.300 2 154 21 21 LEU CD2 C 18.976 0.300 2 155 21 21 LEU CG C 25.816 0.300 1 156 21 21 LEU N N 115.729 0.300 1 157 22 22 SER H H 8.015 0.030 1 158 22 22 SER HA H 5.136 0.030 1 159 22 22 SER HB2 H 4.036 0.030 2 160 22 22 SER HB3 H 3.841 0.030 2 161 22 22 SER C C 175.681 0.300 1 162 22 22 SER CA C 59.286 0.300 1 163 22 22 SER CB C 66.677 0.300 1 164 22 22 SER N N 106.925 0.300 1 165 23 23 HIS H H 8.799 0.030 1 166 23 23 HIS HA H 5.596 0.030 1 167 23 23 HIS HB2 H 3.402 0.030 2 168 23 23 HIS HB3 H 3.250 0.030 2 169 23 23 HIS HD2 H 7.129 0.030 1 170 23 23 HIS HE1 H 8.020 0.030 1 171 23 23 HIS C C 172.125 0.300 1 172 23 23 HIS CA C 55.992 0.300 1 173 23 23 HIS CB C 32.477 0.300 1 174 23 23 HIS CD2 C 121.689 0.300 1 175 23 23 HIS CE1 C 137.754 0.300 1 176 23 23 HIS N N 122.401 0.300 1 177 24 24 GLY H H 7.633 0.030 1 178 24 24 GLY HA2 H 3.917 0.030 1 179 24 24 GLY HA3 H 3.917 0.030 1 180 24 24 GLY C C 170.903 0.300 1 181 24 24 GLY CA C 45.101 0.300 1 182 24 24 GLY N N 105.132 0.300 1 183 25 25 MET H H 9.154 0.030 1 184 25 25 MET HA H 5.211 0.030 1 185 25 25 MET HB2 H 1.839 0.030 2 186 25 25 MET HB3 H 1.745 0.030 2 187 25 25 MET HE H 2.062 0.030 1 188 25 25 MET HG2 H 2.459 0.030 2 189 25 25 MET HG3 H 2.537 0.030 2 190 25 25 MET C C 174.919 0.300 1 191 25 25 MET CA C 54.068 0.300 1 192 25 25 MET CB C 36.434 0.300 1 193 25 25 MET CE C 16.950 0.300 1 194 25 25 MET CG C 31.762 0.300 1 195 25 25 MET N N 120.891 0.300 1 196 26 26 VAL H H 7.946 0.030 1 197 26 26 VAL HA H 3.207 0.030 1 198 26 26 VAL HB H 1.707 0.030 1 199 26 26 VAL HG1 H 0.745 0.030 1 200 26 26 VAL HG2 H 0.699 0.030 1 201 26 26 VAL C C 174.431 0.300 1 202 26 26 VAL CA C 63.604 0.300 1 203 26 26 VAL CB C 32.091 0.300 1 204 26 26 VAL CG1 C 21.087 0.300 2 205 26 26 VAL CG2 C 21.403 0.300 2 206 26 26 VAL N N 119.959 0.300 1 207 27 27 ASN H H 8.744 0.030 1 208 27 27 ASN HA H 4.020 0.030 1 209 27 27 ASN HB2 H 3.016 0.030 2 210 27 27 ASN HB3 H 2.970 0.030 2 211 27 27 ASN HD21 H 6.847 0.030 2 212 27 27 ASN HD22 H 7.623 0.030 2 213 27 27 ASN C C 173.206 0.300 1 214 27 27 ASN CA C 55.211 0.300 1 215 27 27 ASN CB C 36.960 0.300 1 216 27 27 ASN N N 114.852 0.300 1 217 27 27 ASN ND2 N 113.419 0.300 1 218 28 28 LYS H H 7.808 0.030 1 219 28 28 LYS HA H 4.783 0.030 1 220 28 28 LYS HB2 H 1.622 0.030 2 221 28 28 LYS HB3 H 1.667 0.030 2 222 28 28 LYS HD2 H 1.671 0.030 1 223 28 28 LYS HD3 H 1.671 0.030 1 224 28 28 LYS HE2 H 2.969 0.030 1 225 28 28 LYS HE3 H 2.969 0.030 1 226 28 28 LYS HG2 H 1.265 0.030 2 227 28 28 LYS HG3 H 1.356 0.030 2 228 28 28 LYS C C 173.580 0.300 1 229 28 28 LYS CA C 52.388 0.300 1 230 28 28 LYS CB C 33.732 0.300 1 231 28 28 LYS CD C 28.902 0.300 1 232 28 28 LYS CE C 42.454 0.300 1 233 28 28 LYS CG C 24.581 0.300 1 234 28 28 LYS N N 119.229 0.300 1 235 29 29 PRO HA H 4.200 0.030 1 236 29 29 PRO HB2 H 1.950 0.030 2 237 29 29 PRO HB3 H 1.608 0.030 2 238 29 29 PRO HD2 H 3.530 0.030 2 239 29 29 PRO HD3 H 3.629 0.030 2 240 29 29 PRO HG2 H 1.826 0.030 2 241 29 29 PRO HG3 H 2.014 0.030 2 242 29 29 PRO C C 175.801 0.300 1 243 29 29 PRO CA C 63.160 0.300 1 244 29 29 PRO CB C 31.363 0.300 1 245 29 29 PRO CD C 50.120 0.300 1 246 29 29 PRO CG C 27.665 0.300 1 247 30 30 ALA H H 8.812 0.030 1 248 30 30 ALA HA H 4.599 0.030 1 249 30 30 ALA HB H 0.532 0.030 1 250 30 30 ALA C C 176.458 0.300 1 251 30 30 ALA CA C 50.691 0.300 1 252 30 30 ALA CB C 18.489 0.300 1 253 30 30 ALA N N 132.199 0.300 1 254 31 31 THR H H 8.294 0.030 1 255 31 31 THR HA H 5.673 0.030 1 256 31 31 THR HB H 3.845 0.030 1 257 31 31 THR HG2 H 1.011 0.030 1 258 31 31 THR C C 174.030 0.300 1 259 31 31 THR CA C 60.259 0.300 1 260 31 31 THR CB C 72.110 0.300 1 261 31 31 THR CG2 C 21.187 0.300 1 262 31 31 THR N N 114.080 0.300 1 263 32 32 PHE H H 9.042 0.030 1 264 32 32 PHE HA H 4.987 0.030 1 265 32 32 PHE HB2 H 2.864 0.030 2 266 32 32 PHE HB3 H 2.692 0.030 2 267 32 32 PHE HD1 H 6.599 0.030 1 268 32 32 PHE HD2 H 6.599 0.030 1 269 32 32 PHE HE1 H 6.809 0.030 1 270 32 32 PHE HE2 H 6.809 0.030 1 271 32 32 PHE HZ H 6.697 0.030 1 272 32 32 PHE C C 171.197 0.300 1 273 32 32 PHE CA C 56.739 0.300 1 274 32 32 PHE CB C 39.900 0.300 1 275 32 32 PHE CD1 C 132.523 0.300 1 276 32 32 PHE CD2 C 132.523 0.300 1 277 32 32 PHE CE1 C 130.088 0.300 1 278 32 32 PHE CE2 C 130.088 0.300 1 279 32 32 PHE CZ C 129.179 0.300 1 280 32 32 PHE N N 118.767 0.300 1 281 33 33 THR H H 9.205 0.030 1 282 33 33 THR HA H 4.965 0.030 1 283 33 33 THR HB H 2.796 0.030 1 284 33 33 THR HG2 H 1.017 0.030 1 285 33 33 THR C C 173.241 0.300 1 286 33 33 THR CA C 61.999 0.300 1 287 33 33 THR CB C 71.214 0.300 1 288 33 33 THR CG2 C 21.352 0.300 1 289 33 33 THR N N 117.327 0.300 1 290 34 34 ILE H H 8.836 0.030 1 291 34 34 ILE HA H 4.851 0.030 1 292 34 34 ILE HB H 1.581 0.030 1 293 34 34 ILE HD1 H 0.904 0.030 1 294 34 34 ILE HG12 H 0.975 0.030 2 295 34 34 ILE HG13 H 1.646 0.030 2 296 34 34 ILE HG2 H 0.812 0.030 1 297 34 34 ILE C C 174.943 0.300 1 298 34 34 ILE CA C 59.622 0.300 1 299 34 34 ILE CB C 40.571 0.300 1 300 34 34 ILE CD1 C 16.289 0.300 1 301 34 34 ILE CG1 C 27.886 0.300 1 302 34 34 ILE CG2 C 18.135 0.300 1 303 34 34 ILE N N 122.972 0.300 1 304 35 35 VAL H H 9.291 0.030 1 305 35 35 VAL HA H 4.490 0.030 1 306 35 35 VAL HB H 2.313 0.030 1 307 35 35 VAL HG1 H 1.075 0.030 1 308 35 35 VAL HG2 H 1.075 0.030 1 309 35 35 VAL C C 176.227 0.300 1 310 35 35 VAL CA C 62.244 0.300 1 311 35 35 VAL CB C 32.261 0.300 1 312 35 35 VAL CG1 C 21.408 0.300 1 313 35 35 VAL CG2 C 21.408 0.300 1 314 35 35 VAL N N 128.403 0.300 1 315 36 36 THR H H 8.520 0.030 1 316 36 36 THR HA H 4.314 0.030 1 317 36 36 THR HB H 4.353 0.030 1 318 36 36 THR HG2 H 0.996 0.030 1 319 36 36 THR C C 175.816 0.300 1 320 36 36 THR CA C 61.337 0.300 1 321 36 36 THR CB C 68.803 0.300 1 322 36 36 THR CG2 C 21.954 0.300 1 323 36 36 THR N N 117.211 0.300 1 324 37 37 LYS H H 7.679 0.030 1 325 37 37 LYS HA H 4.086 0.030 1 326 37 37 LYS HB2 H 1.868 0.030 2 327 37 37 LYS HB3 H 1.808 0.030 2 328 37 37 LYS HD2 H 1.658 0.030 1 329 37 37 LYS HD3 H 1.658 0.030 1 330 37 37 LYS HE2 H 2.945 0.030 1 331 37 37 LYS HE3 H 2.945 0.030 1 332 37 37 LYS HG2 H 1.386 0.030 1 333 37 37 LYS HG3 H 1.386 0.030 1 334 37 37 LYS C C 176.107 0.300 1 335 37 37 LYS CA C 58.618 0.300 1 336 37 37 LYS CB C 33.232 0.300 1 337 37 37 LYS CD C 29.323 0.300 1 338 37 37 LYS CE C 42.291 0.300 1 339 37 37 LYS CG C 24.220 0.300 1 340 37 37 LYS N N 123.222 0.300 1 341 38 38 ASP H H 8.632 0.030 1 342 38 38 ASP HA H 4.721 0.030 1 343 38 38 ASP HB2 H 2.820 0.030 2 344 38 38 ASP HB3 H 2.393 0.030 2 345 38 38 ASP C C 175.654 0.300 1 346 38 38 ASP CA C 54.878 0.300 1 347 38 38 ASP CB C 41.013 0.300 1 348 38 38 ASP N N 118.837 0.300 1 349 39 39 ALA H H 7.829 0.030 1 350 39 39 ALA HA H 4.071 0.030 1 351 39 39 ALA HB H 1.000 0.030 1 352 39 39 ALA C C 177.730 0.300 1 353 39 39 ALA CA C 53.024 0.300 1 354 39 39 ALA CB C 20.364 0.300 1 355 39 39 ALA N N 121.867 0.300 1 356 40 40 GLY H H 8.152 0.030 1 357 40 40 GLY HA2 H 4.062 0.030 2 358 40 40 GLY HA3 H 3.812 0.030 2 359 40 40 GLY C C 173.917 0.300 1 360 40 40 GLY CA C 44.924 0.300 1 361 40 40 GLY N N 105.991 0.300 1 362 41 41 GLU H H 8.450 0.030 1 363 41 41 GLU HA H 4.355 0.030 1 364 41 41 GLU HB2 H 2.055 0.030 2 365 41 41 GLU HB3 H 1.893 0.030 2 366 41 41 GLU HG2 H 2.238 0.030 1 367 41 41 GLU HG3 H 2.238 0.030 1 368 41 41 GLU C C 176.797 0.300 1 369 41 41 GLU CA C 56.509 0.300 1 370 41 41 GLU CB C 30.089 0.300 1 371 41 41 GLU CG C 36.362 0.300 1 372 41 41 GLU N N 120.679 0.300 1 373 42 42 GLY H H 8.217 0.030 1 374 42 42 GLY HA2 H 3.777 0.030 2 375 42 42 GLY HA3 H 3.545 0.030 2 376 42 42 GLY C C 173.143 0.300 1 377 42 42 GLY CA C 45.263 0.300 1 378 42 42 GLY N N 109.749 0.300 1 379 43 43 GLY H H 8.105 0.030 1 380 43 43 GLY HA2 H 4.101 0.030 2 381 43 43 GLY HA3 H 3.463 0.030 2 382 43 43 GLY C C 173.325 0.300 1 383 43 43 GLY CA C 44.837 0.300 1 384 43 43 GLY N N 106.822 0.300 1 385 44 44 LEU H H 8.453 0.030 1 386 44 44 LEU HA H 5.115 0.030 1 387 44 44 LEU HB2 H 1.610 0.030 1 388 44 44 LEU HB3 H 1.610 0.030 1 389 44 44 LEU HD1 H 0.924 0.030 1 390 44 44 LEU HD2 H 0.904 0.030 1 391 44 44 LEU HG H 1.603 0.030 1 392 44 44 LEU C C 176.872 0.300 1 393 44 44 LEU CA C 54.303 0.300 1 394 44 44 LEU CB C 44.567 0.300 1 395 44 44 LEU CD1 C 24.925 0.300 2 396 44 44 LEU CD2 C 25.506 0.300 2 397 44 44 LEU CG C 27.534 0.300 1 398 44 44 LEU N N 125.718 0.300 1 399 45 45 SER H H 9.111 0.030 1 400 45 45 SER HA H 4.728 0.030 1 401 45 45 SER HB2 H 3.651 0.030 1 402 45 45 SER HB3 H 3.651 0.030 1 403 45 45 SER C C 172.232 0.300 1 404 45 45 SER CA C 57.447 0.300 1 405 45 45 SER CB C 65.136 0.300 1 406 45 45 SER N N 120.313 0.300 1 407 46 46 LEU H H 8.468 0.030 1 408 46 46 LEU HA H 5.448 0.030 1 409 46 46 LEU HB2 H 1.693 0.030 2 410 46 46 LEU HB3 H 1.377 0.030 2 411 46 46 LEU HD1 H 0.862 0.030 1 412 46 46 LEU HD2 H 0.973 0.030 1 413 46 46 LEU HG H 1.601 0.030 1 414 46 46 LEU C C 176.269 0.300 1 415 46 46 LEU CA C 53.231 0.300 1 416 46 46 LEU CB C 46.480 0.300 1 417 46 46 LEU CD1 C 26.448 0.300 2 418 46 46 LEU CD2 C 26.460 0.300 2 419 46 46 LEU CG C 27.549 0.300 1 420 46 46 LEU N N 124.908 0.300 1 421 47 47 ALA H H 8.871 0.030 1 422 47 47 ALA HA H 4.520 0.030 1 423 47 47 ALA HB H 1.362 0.030 1 424 47 47 ALA C C 174.465 0.300 1 425 47 47 ALA CA C 52.046 0.300 1 426 47 47 ALA CB C 22.584 0.300 1 427 47 47 ALA N N 123.908 0.300 1 428 48 48 VAL H H 8.514 0.030 1 429 48 48 VAL HA H 5.037 0.030 1 430 48 48 VAL HB H 1.765 0.030 1 431 48 48 VAL HG1 H 0.608 0.030 1 432 48 48 VAL HG2 H 0.511 0.030 1 433 48 48 VAL C C 175.492 0.300 1 434 48 48 VAL CA C 61.191 0.300 1 435 48 48 VAL CB C 34.444 0.300 1 436 48 48 VAL CG1 C 21.764 0.300 2 437 48 48 VAL CG2 C 20.849 0.300 2 438 48 48 VAL N N 119.906 0.300 1 439 49 49 GLU H H 9.323 0.030 1 440 49 49 GLU HA H 4.909 0.030 1 441 49 49 GLU HB2 H 2.004 0.030 2 442 49 49 GLU HB3 H 1.822 0.030 2 443 49 49 GLU HG2 H 2.146 0.030 1 444 49 49 GLU HG3 H 2.146 0.030 1 445 49 49 GLU C C 175.217 0.300 1 446 49 49 GLU CA C 54.139 0.300 1 447 49 49 GLU CB C 32.619 0.300 1 448 49 49 GLU CG C 35.690 0.300 1 449 49 49 GLU N N 127.950 0.300 1 450 50 50 GLY H H 8.476 0.030 1 451 50 50 GLY HA2 H 3.549 0.030 2 452 50 50 GLY HA3 H 3.847 0.030 2 453 50 50 GLY C C 171.612 0.300 1 454 50 50 GLY CA C 45.667 0.300 1 455 50 50 GLY N N 111.137 0.300 1 456 51 51 PRO HA H 4.288 0.030 1 457 51 51 PRO HB2 H 2.215 0.030 2 458 51 51 PRO HB3 H 1.846 0.030 2 459 51 51 PRO HD2 H 2.942 0.030 2 460 51 51 PRO HD3 H 1.763 0.030 2 461 51 51 PRO HG2 H 1.541 0.030 2 462 51 51 PRO HG3 H 1.782 0.030 2 463 51 51 PRO C C 176.024 0.300 1 464 51 51 PRO CA C 64.016 0.300 1 465 51 51 PRO CB C 32.059 0.300 1 466 51 51 PRO CD C 49.461 0.300 1 467 51 51 PRO CG C 26.792 0.300 1 468 52 52 SER H H 7.171 0.030 1 469 52 52 SER HA H 4.557 0.030 1 470 52 52 SER HB2 H 3.829 0.030 2 471 52 52 SER HB3 H 3.757 0.030 2 472 52 52 SER C C 172.931 0.300 1 473 52 52 SER CA C 57.084 0.300 1 474 52 52 SER CB C 67.255 0.300 1 475 52 52 SER N N 109.852 0.300 1 476 53 53 LYS H H 8.632 0.030 1 477 53 53 LYS HA H 4.397 0.030 1 478 53 53 LYS HB2 H 1.855 0.030 2 479 53 53 LYS HB3 H 1.769 0.030 2 480 53 53 LYS HD2 H 1.726 0.030 1 481 53 53 LYS HD3 H 1.726 0.030 1 482 53 53 LYS HE2 H 3.010 0.030 1 483 53 53 LYS HE3 H 3.010 0.030 1 484 53 53 LYS HG2 H 1.381 0.030 2 485 53 53 LYS HG3 H 1.469 0.030 2 486 53 53 LYS C C 175.542 0.300 1 487 53 53 LYS CA C 55.950 0.300 1 488 53 53 LYS CB C 31.285 0.300 1 489 53 53 LYS CD C 29.100 0.300 1 490 53 53 LYS CE C 42.207 0.300 1 491 53 53 LYS CG C 24.669 0.300 1 492 53 53 LYS N N 122.786 0.300 1 493 54 54 ALA H H 8.585 0.030 1 494 54 54 ALA HA H 4.571 0.030 1 495 54 54 ALA HB H 1.170 0.030 1 496 54 54 ALA C C 176.150 0.300 1 497 54 54 ALA CA C 51.218 0.300 1 498 54 54 ALA CB C 20.074 0.300 1 499 54 54 ALA N N 130.280 0.300 1 500 55 55 GLU H H 8.660 0.030 1 501 55 55 GLU HA H 4.204 0.030 1 502 55 55 GLU HB2 H 1.952 0.030 1 503 55 55 GLU HB3 H 1.952 0.030 1 504 55 55 GLU HG2 H 2.329 0.030 2 505 55 55 GLU HG3 H 2.205 0.030 2 506 55 55 GLU C C 176.947 0.300 1 507 55 55 GLU CA C 57.028 0.300 1 508 55 55 GLU CB C 30.407 0.300 1 509 55 55 GLU CG C 36.179 0.300 1 510 55 55 GLU N N 124.094 0.300 1 511 56 56 ILE H H 8.712 0.030 1 512 56 56 ILE HA H 4.906 0.030 1 513 56 56 ILE HB H 1.607 0.030 1 514 56 56 ILE HD1 H 0.801 0.030 1 515 56 56 ILE HG12 H 1.816 0.030 2 516 56 56 ILE HG13 H 0.700 0.030 2 517 56 56 ILE HG2 H 0.754 0.030 1 518 56 56 ILE C C 175.882 0.300 1 519 56 56 ILE CA C 60.537 0.300 1 520 56 56 ILE CB C 41.424 0.300 1 521 56 56 ILE CD1 C 14.695 0.300 1 522 56 56 ILE CG1 C 27.997 0.300 1 523 56 56 ILE CG2 C 17.443 0.300 1 524 56 56 ILE N N 126.136 0.300 1 525 57 57 THR H H 9.310 0.030 1 526 57 57 THR HA H 4.511 0.030 1 527 57 57 THR HB H 3.961 0.030 1 528 57 57 THR HG2 H 1.084 0.030 1 529 57 57 THR C C 172.485 0.300 1 530 57 57 THR CA C 61.037 0.300 1 531 57 57 THR CB C 71.202 0.300 1 532 57 57 THR CG2 C 21.123 0.300 1 533 57 57 THR N N 122.203 0.300 1 534 58 58 CYS H H 8.808 0.030 1 535 58 58 CYS HA H 4.920 0.030 1 536 58 58 CYS HB2 H 2.767 0.030 2 537 58 58 CYS HB3 H 2.357 0.030 2 538 58 58 CYS C C 172.789 0.300 1 539 58 58 CYS CA C 57.282 0.300 1 540 58 58 CYS CB C 28.601 0.300 1 541 58 58 CYS N N 124.301 0.300 1 542 59 59 LYS H H 8.787 0.030 1 543 59 59 LYS HA H 4.565 0.030 1 544 59 59 LYS HB2 H 1.598 0.030 2 545 59 59 LYS HB3 H 1.741 0.030 2 546 59 59 LYS HD2 H 1.666 0.030 2 547 59 59 LYS HD3 H 1.592 0.030 2 548 59 59 LYS HE2 H 2.936 0.030 1 549 59 59 LYS HE3 H 2.936 0.030 1 550 59 59 LYS HG2 H 1.262 0.030 2 551 59 59 LYS HG3 H 1.183 0.030 2 552 59 59 LYS C C 174.157 0.300 1 553 59 59 LYS CA C 54.652 0.300 1 554 59 59 LYS CB C 35.271 0.300 1 555 59 59 LYS CD C 29.183 0.300 1 556 59 59 LYS CE C 42.125 0.300 1 557 59 59 LYS CG C 24.443 0.300 1 558 59 59 LYS N N 129.215 0.300 1 559 60 60 ASP H H 8.761 0.030 1 560 60 60 ASP HA H 4.810 0.030 1 561 60 60 ASP HB2 H 2.820 0.030 2 562 60 60 ASP HB3 H 2.621 0.030 2 563 60 60 ASP C C 176.931 0.300 1 564 60 60 ASP CA C 54.157 0.300 1 565 60 60 ASP CB C 41.038 0.300 1 566 60 60 ASP N N 126.229 0.300 1 567 61 61 ASN H H 8.688 0.030 1 568 61 61 ASN HA H 4.656 0.030 1 569 61 61 ASN HB2 H 2.679 0.030 2 570 61 61 ASN HB3 H 2.988 0.030 2 571 61 61 ASN HD21 H 7.421 0.030 2 572 61 61 ASN HD22 H 7.293 0.030 2 573 61 61 ASN C C 175.647 0.300 1 574 61 61 ASN CA C 54.534 0.300 1 575 61 61 ASN CB C 38.742 0.300 1 576 61 61 ASN N N 125.122 0.300 1 577 61 61 ASN ND2 N 114.683 0.300 1 578 62 62 LYS H H 9.337 0.030 1 579 62 62 LYS HA H 3.996 0.030 1 580 62 62 LYS HB2 H 2.125 0.030 2 581 62 62 LYS HB3 H 1.989 0.030 2 582 62 62 LYS HD2 H 1.582 0.030 2 583 62 62 LYS HD3 H 1.661 0.030 2 584 62 62 LYS HE2 H 2.961 0.030 1 585 62 62 LYS HE3 H 2.961 0.030 1 586 62 62 LYS HG2 H 1.333 0.030 2 587 62 62 LYS HG3 H 1.235 0.030 2 588 62 62 LYS C C 175.042 0.300 1 589 62 62 LYS CA C 57.667 0.300 1 590 62 62 LYS CB C 28.482 0.300 1 591 62 62 LYS CD C 28.573 0.300 1 592 62 62 LYS CE C 42.207 0.300 1 593 62 62 LYS CG C 24.731 0.300 1 594 62 62 LYS N N 114.544 0.300 1 595 63 63 ASP H H 7.890 0.030 1 596 63 63 ASP HA H 4.742 0.030 1 597 63 63 ASP HB2 H 2.383 0.030 2 598 63 63 ASP HB3 H 3.025 0.030 2 599 63 63 ASP C C 177.329 0.300 1 600 63 63 ASP CA C 52.211 0.300 1 601 63 63 ASP CB C 41.032 0.300 1 602 63 63 ASP N N 117.639 0.300 1 603 64 64 GLY H H 8.806 0.030 1 604 64 64 GLY HA2 H 4.290 0.030 2 605 64 64 GLY HA3 H 3.651 0.030 2 606 64 64 GLY C C 173.487 0.300 1 607 64 64 GLY CA C 45.310 0.300 1 608 64 64 GLY N N 109.138 0.300 1 609 65 65 THR H H 8.018 0.030 1 610 65 65 THR HA H 5.637 0.030 1 611 65 65 THR HB H 4.045 0.030 1 612 65 65 THR HG2 H 1.158 0.030 1 613 65 65 THR C C 173.570 0.300 1 614 65 65 THR CA C 59.935 0.300 1 615 65 65 THR CB C 73.839 0.300 1 616 65 65 THR CG2 C 21.977 0.300 1 617 65 65 THR N N 110.087 0.300 1 618 66 66 CYS H H 9.177 0.030 1 619 66 66 CYS HA H 5.427 0.030 1 620 66 66 CYS HB2 H 2.695 0.030 2 621 66 66 CYS HB3 H 2.627 0.030 2 622 66 66 CYS C C 173.771 0.300 1 623 66 66 CYS CA C 56.589 0.300 1 624 66 66 CYS CB C 31.103 0.300 1 625 66 66 CYS N N 116.942 0.300 1 626 67 67 THR H H 9.120 0.030 1 627 67 67 THR HA H 4.632 0.030 1 628 67 67 THR HB H 3.859 0.030 1 629 67 67 THR HG2 H 1.066 0.030 1 630 67 67 THR C C 173.452 0.300 1 631 67 67 THR CA C 62.447 0.300 1 632 67 67 THR CB C 70.459 0.300 1 633 67 67 THR CG2 C 22.165 0.300 1 634 67 67 THR N N 121.599 0.300 1 635 68 68 VAL H H 9.104 0.030 1 636 68 68 VAL HA H 4.532 0.030 1 637 68 68 VAL HB H 0.057 0.030 1 638 68 68 VAL HG1 H 0.492 0.030 1 639 68 68 VAL HG2 H 0.475 0.030 1 640 68 68 VAL C C 173.643 0.300 1 641 68 68 VAL CA C 60.343 0.300 1 642 68 68 VAL CB C 32.695 0.300 1 643 68 68 VAL CG1 C 23.050 0.300 2 644 68 68 VAL CG2 C 22.210 0.300 2 645 68 68 VAL N N 131.876 0.300 1 646 69 69 SER H H 8.593 0.030 1 647 69 69 SER HA H 5.548 0.030 1 648 69 69 SER HB2 H 3.464 0.030 2 649 69 69 SER HB3 H 3.340 0.030 2 650 69 69 SER C C 172.815 0.300 1 651 69 69 SER CA C 55.908 0.300 1 652 69 69 SER CB C 66.088 0.300 1 653 69 69 SER N N 118.958 0.300 1 654 70 70 TYR H H 8.884 0.030 1 655 70 70 TYR HA H 5.801 0.030 1 656 70 70 TYR HB2 H 2.523 0.030 2 657 70 70 TYR HB3 H 2.622 0.030 2 658 70 70 TYR HD1 H 6.435 0.030 1 659 70 70 TYR HD2 H 6.435 0.030 1 660 70 70 TYR HE1 H 5.994 0.030 1 661 70 70 TYR HE2 H 5.994 0.030 1 662 70 70 TYR C C 173.188 0.300 1 663 70 70 TYR CA C 54.995 0.300 1 664 70 70 TYR CB C 41.682 0.300 1 665 70 70 TYR CD1 C 132.444 0.300 1 666 70 70 TYR CD2 C 132.444 0.300 1 667 70 70 TYR CE1 C 116.893 0.300 1 668 70 70 TYR CE2 C 116.893 0.300 1 669 70 70 TYR N N 120.331 0.300 1 670 71 71 LEU H H 7.501 0.030 1 671 71 71 LEU HA H 4.968 0.030 1 672 71 71 LEU HB2 H 1.935 0.030 2 673 71 71 LEU HB3 H 1.164 0.030 2 674 71 71 LEU HD1 H 0.463 0.030 1 675 71 71 LEU HD2 H 0.655 0.030 1 676 71 71 LEU HG H 1.241 0.030 1 677 71 71 LEU C C 173.143 0.300 1 678 71 71 LEU CA C 50.441 0.300 1 679 71 71 LEU CB C 42.881 0.300 1 680 71 71 LEU CD1 C 23.211 0.300 2 681 71 71 LEU CD2 C 24.738 0.300 2 682 71 71 LEU CG C 27.659 0.300 1 683 71 71 LEU N N 122.218 0.300 1 684 72 72 PRO HA H 4.517 0.030 1 685 72 72 PRO HB2 H 1.668 0.030 2 686 72 72 PRO HB3 H 1.253 0.030 2 687 72 72 PRO HD2 H 4.118 0.030 2 688 72 72 PRO HD3 H 3.430 0.030 2 689 72 72 PRO HG2 H 1.509 0.030 2 690 72 72 PRO HG3 H 2.118 0.030 2 691 72 72 PRO C C 177.779 0.300 1 692 72 72 PRO CA C 62.028 0.300 1 693 72 72 PRO CB C 32.695 0.300 1 694 72 72 PRO CD C 50.223 0.300 1 695 72 72 PRO CG C 26.828 0.300 1 696 73 73 THR H H 8.517 0.030 1 697 73 73 THR HA H 4.475 0.030 1 698 73 73 THR HB H 4.610 0.030 1 699 73 73 THR HG2 H 1.175 0.030 1 700 73 73 THR C C 173.285 0.300 1 701 73 73 THR CA C 61.209 0.300 1 702 73 73 THR CB C 68.953 0.300 1 703 73 73 THR CG2 C 20.952 0.300 1 704 73 73 THR N N 110.743 0.300 1 705 74 74 ALA H H 7.028 0.030 1 706 74 74 ALA HA H 4.890 0.030 1 707 74 74 ALA HB H 1.315 0.030 1 708 74 74 ALA C C 174.989 0.300 1 709 74 74 ALA CA C 49.562 0.300 1 710 74 74 ALA CB C 21.088 0.300 1 711 74 74 ALA N N 120.850 0.300 1 712 75 75 PRO HA H 4.285 0.030 1 713 75 75 PRO HB2 H 2.114 0.030 2 714 75 75 PRO HB3 H 1.955 0.030 2 715 75 75 PRO HD2 H 3.746 0.030 1 716 75 75 PRO HD3 H 3.746 0.030 1 717 75 75 PRO HG2 H 2.093 0.030 2 718 75 75 PRO HG3 H 1.981 0.030 2 719 75 75 PRO C C 174.230 0.300 1 720 75 75 PRO CA C 62.723 0.300 1 721 75 75 PRO CB C 32.536 0.300 1 722 75 75 PRO CD C 50.566 0.300 1 723 75 75 PRO CG C 26.832 0.300 1 724 76 76 GLY H H 8.908 0.030 1 725 76 76 GLY HA2 H 4.497 0.030 2 726 76 76 GLY HA3 H 3.790 0.030 2 727 76 76 GLY C C 171.706 0.300 1 728 76 76 GLY CA C 44.361 0.300 1 729 76 76 GLY N N 106.202 0.300 1 730 77 77 ASP H H 8.271 0.030 1 731 77 77 ASP HA H 5.499 0.030 1 732 77 77 ASP HB2 H 2.434 0.030 2 733 77 77 ASP HB3 H 2.284 0.030 2 734 77 77 ASP C C 175.988 0.300 1 735 77 77 ASP CA C 53.551 0.300 1 736 77 77 ASP CB C 40.888 0.300 1 737 77 77 ASP N N 120.783 0.300 1 738 78 78 TYR H H 9.602 0.030 1 739 78 78 TYR HA H 4.960 0.030 1 740 78 78 TYR HB2 H 2.773 0.030 2 741 78 78 TYR HB3 H 2.425 0.030 2 742 78 78 TYR HD1 H 7.095 0.030 1 743 78 78 TYR HD2 H 7.095 0.030 1 744 78 78 TYR HE1 H 6.804 0.030 1 745 78 78 TYR HE2 H 6.804 0.030 1 746 78 78 TYR C C 174.590 0.300 1 747 78 78 TYR CA C 56.474 0.300 1 748 78 78 TYR CB C 40.476 0.300 1 749 78 78 TYR CD1 C 134.208 0.300 1 750 78 78 TYR CD2 C 134.208 0.300 1 751 78 78 TYR CE1 C 116.228 0.300 1 752 78 78 TYR CE2 C 116.228 0.300 1 753 78 78 TYR N N 123.547 0.300 1 754 79 79 SER H H 9.250 0.030 1 755 79 79 SER HA H 5.352 0.030 1 756 79 79 SER HB2 H 3.698 0.030 1 757 79 79 SER HB3 H 3.698 0.030 1 758 79 79 SER C C 173.371 0.300 1 759 79 79 SER CA C 56.585 0.300 1 760 79 79 SER CB C 64.468 0.300 1 761 79 79 SER N N 117.580 0.300 1 762 80 80 ILE H H 9.559 0.030 1 763 80 80 ILE HA H 4.503 0.030 1 764 80 80 ILE HB H 1.909 0.030 1 765 80 80 ILE HD1 H 0.519 0.030 1 766 80 80 ILE HG12 H 1.087 0.030 2 767 80 80 ILE HG13 H 0.922 0.030 2 768 80 80 ILE HG2 H 0.511 0.030 1 769 80 80 ILE C C 174.647 0.300 1 770 80 80 ILE CA C 60.645 0.300 1 771 80 80 ILE CB C 38.333 0.300 1 772 80 80 ILE CD1 C 14.494 0.300 1 773 80 80 ILE CG1 C 28.333 0.300 1 774 80 80 ILE CG2 C 18.701 0.300 1 775 80 80 ILE N N 128.178 0.300 1 776 81 81 ILE H H 9.249 0.030 1 777 81 81 ILE HA H 4.326 0.030 1 778 81 81 ILE HB H 1.755 0.030 1 779 81 81 ILE HD1 H 0.789 0.030 1 780 81 81 ILE HG12 H 1.459 0.030 2 781 81 81 ILE HG13 H 1.055 0.030 2 782 81 81 ILE HG2 H 0.790 0.030 1 783 81 81 ILE C C 175.282 0.300 1 784 81 81 ILE CA C 61.479 0.300 1 785 81 81 ILE CB C 39.637 0.300 1 786 81 81 ILE CD1 C 14.738 0.300 1 787 81 81 ILE CG1 C 29.546 0.300 1 788 81 81 ILE CG2 C 19.173 0.300 1 789 81 81 ILE N N 129.723 0.300 1 790 82 82 VAL H H 9.082 0.030 1 791 82 82 VAL HA H 4.682 0.030 1 792 82 82 VAL HB H 2.144 0.030 1 793 82 82 VAL HG1 H 0.906 0.030 1 794 82 82 VAL HG2 H 0.941 0.030 1 795 82 82 VAL C C 173.971 0.300 1 796 82 82 VAL CA C 61.209 0.300 1 797 82 82 VAL CB C 33.856 0.300 1 798 82 82 VAL CG1 C 22.151 0.300 2 799 82 82 VAL CG2 C 19.996 0.300 2 800 82 82 VAL N N 127.179 0.300 1 801 83 83 ARG H H 8.692 0.030 1 802 83 83 ARG HA H 5.095 0.030 1 803 83 83 ARG HB2 H 1.534 0.030 2 804 83 83 ARG HB3 H 1.014 0.030 2 805 83 83 ARG HD2 H 2.568 0.030 2 806 83 83 ARG HD3 H 2.461 0.030 2 807 83 83 ARG HG2 H 0.524 0.030 2 808 83 83 ARG HG3 H 1.029 0.030 2 809 83 83 ARG C C 174.638 0.300 1 810 83 83 ARG CA C 53.499 0.300 1 811 83 83 ARG CB C 33.988 0.300 1 812 83 83 ARG CD C 43.348 0.300 1 813 83 83 ARG CG C 27.142 0.300 1 814 83 83 ARG N N 123.578 0.300 1 815 84 84 PHE H H 8.979 0.030 1 816 84 84 PHE HA H 5.171 0.030 1 817 84 84 PHE HB2 H 2.921 0.030 2 818 84 84 PHE HB3 H 2.538 0.030 2 819 84 84 PHE HD1 H 6.942 0.030 1 820 84 84 PHE HD2 H 6.942 0.030 1 821 84 84 PHE HE1 H 7.148 0.030 1 822 84 84 PHE HE2 H 7.148 0.030 1 823 84 84 PHE HZ H 7.175 0.030 1 824 84 84 PHE C C 176.179 0.300 1 825 84 84 PHE CA C 56.392 0.300 1 826 84 84 PHE CB C 42.821 0.300 1 827 84 84 PHE CD1 C 131.154 0.300 1 828 84 84 PHE CD2 C 131.154 0.300 1 829 84 84 PHE CE1 C 131.378 0.300 1 830 84 84 PHE CE2 C 131.378 0.300 1 831 84 84 PHE CZ C 130.390 0.300 1 832 84 84 PHE N N 121.095 0.300 1 833 85 85 ASP H H 9.015 0.030 1 834 85 85 ASP HA H 4.075 0.030 1 835 85 85 ASP HB2 H 2.920 0.030 2 836 85 85 ASP HB3 H 2.157 0.030 2 837 85 85 ASP C C 175.042 0.300 1 838 85 85 ASP CA C 55.649 0.300 1 839 85 85 ASP CB C 39.422 0.300 1 840 85 85 ASP N N 129.964 0.300 1 841 86 86 ASP H H 8.729 0.030 1 842 86 86 ASP HA H 3.928 0.030 1 843 86 86 ASP HB2 H 2.832 0.030 2 844 86 86 ASP HB3 H 2.728 0.030 2 845 86 86 ASP C C 174.940 0.300 1 846 86 86 ASP CA C 56.148 0.300 1 847 86 86 ASP CB C 40.220 0.300 1 848 86 86 ASP N N 109.005 0.300 1 849 87 87 LYS H H 7.551 0.030 1 850 87 87 LYS HA H 4.660 0.030 1 851 87 87 LYS HB2 H 1.882 0.030 2 852 87 87 LYS HB3 H 1.821 0.030 2 853 87 87 LYS HD2 H 1.765 0.030 2 854 87 87 LYS HD3 H 1.700 0.030 2 855 87 87 LYS HE2 H 3.074 0.030 1 856 87 87 LYS HE3 H 3.074 0.030 1 857 87 87 LYS HG2 H 1.475 0.030 1 858 87 87 LYS HG3 H 1.475 0.030 1 859 87 87 LYS C C 176.569 0.300 1 860 87 87 LYS CA C 54.617 0.300 1 861 87 87 LYS CB C 34.735 0.300 1 862 87 87 LYS CD C 28.960 0.300 1 863 87 87 LYS CE C 42.299 0.300 1 864 87 87 LYS CG C 24.484 0.300 1 865 87 87 LYS N N 119.885 0.300 1 866 88 88 HIS H H 8.609 0.030 1 867 88 88 HIS HA H 4.481 0.030 1 868 88 88 HIS HB2 H 2.824 0.030 2 869 88 88 HIS HB3 H 3.163 0.030 2 870 88 88 HIS HD2 H 7.137 0.030 1 871 88 88 HIS HE1 H 7.435 0.030 1 872 88 88 HIS C C 177.965 0.300 1 873 88 88 HIS CA C 58.738 0.300 1 874 88 88 HIS CB C 32.214 0.300 1 875 88 88 HIS CD2 C 118.151 0.300 1 876 88 88 HIS CE1 C 137.966 0.300 1 877 88 88 HIS N N 123.085 0.300 1 878 89 89 ILE H H 8.293 0.030 1 879 89 89 ILE HA H 4.655 0.030 1 880 89 89 ILE HB H 2.204 0.030 1 881 89 89 ILE HD1 H 0.891 0.030 1 882 89 89 ILE HG12 H 1.425 0.030 1 883 89 89 ILE HG13 H 1.425 0.030 1 884 89 89 ILE HG2 H 0.958 0.030 1 885 89 89 ILE C C 173.458 0.300 1 886 89 89 ILE CA C 60.736 0.300 1 887 89 89 ILE CB C 35.465 0.300 1 888 89 89 ILE CD1 C 15.630 0.300 1 889 89 89 ILE CG1 C 25.072 0.300 1 890 89 89 ILE CG2 C 18.121 0.300 1 891 89 89 ILE N N 119.622 0.300 1 892 90 90 PRO HA H 4.228 0.030 1 893 90 90 PRO HB2 H 2.282 0.030 2 894 90 90 PRO HB3 H 1.972 0.030 2 895 90 90 PRO HD2 H 3.775 0.030 2 896 90 90 PRO HD3 H 4.013 0.030 2 897 90 90 PRO HG2 H 2.181 0.030 2 898 90 90 PRO HG3 H 1.937 0.030 2 899 90 90 PRO C C 176.779 0.300 1 900 90 90 PRO CA C 65.278 0.300 1 901 90 90 PRO CB C 31.043 0.300 1 902 90 90 PRO CD C 50.657 0.300 1 903 90 90 PRO CG C 28.424 0.300 1 904 91 91 GLY H H 8.166 0.030 1 905 91 91 GLY HA2 H 3.081 0.030 2 906 91 91 GLY HA3 H 4.133 0.030 2 907 91 91 GLY C C 172.074 0.300 1 908 91 91 GLY CA C 44.612 0.300 1 909 91 91 GLY N N 114.356 0.300 1 910 92 92 SER H H 7.609 0.030 1 911 92 92 SER HA H 4.107 0.030 1 912 92 92 SER HB2 H 3.703 0.030 2 913 92 92 SER HB3 H 4.371 0.030 2 914 92 92 SER CA C 54.863 0.300 1 915 92 92 SER CB C 62.566 0.300 1 916 92 92 SER N N 112.347 0.300 1 917 93 93 PRO HA H 5.285 0.030 1 918 93 93 PRO HB2 H 1.970 0.030 2 919 93 93 PRO HB3 H 1.855 0.030 2 920 93 93 PRO HD2 H 3.179 0.030 2 921 93 93 PRO HD3 H 2.406 0.030 2 922 93 93 PRO HG2 H 1.679 0.030 2 923 93 93 PRO HG3 H 1.856 0.030 2 924 93 93 PRO C C 176.329 0.300 1 925 93 93 PRO CA C 62.292 0.300 1 926 93 93 PRO CB C 33.931 0.300 1 927 93 93 PRO CD C 49.820 0.300 1 928 93 93 PRO CG C 24.941 0.300 1 929 94 94 PHE H H 9.554 0.030 1 930 94 94 PHE HA H 4.603 0.030 1 931 94 94 PHE HB2 H 3.294 0.030 2 932 94 94 PHE HB3 H 2.847 0.030 2 933 94 94 PHE HD1 H 7.237 0.030 1 934 94 94 PHE HD2 H 7.237 0.030 1 935 94 94 PHE HE1 H 7.076 0.030 1 936 94 94 PHE HE2 H 7.076 0.030 1 937 94 94 PHE HZ H 7.226 0.030 1 938 94 94 PHE C C 176.336 0.300 1 939 94 94 PHE CA C 57.047 0.300 1 940 94 94 PHE CB C 40.513 0.300 1 941 94 94 PHE CD1 C 133.105 0.300 1 942 94 94 PHE CD2 C 133.105 0.300 1 943 94 94 PHE CE1 C 130.189 0.300 1 944 94 94 PHE CE2 C 130.189 0.300 1 945 94 94 PHE CZ C 129.729 0.300 1 946 94 94 PHE N N 125.852 0.300 1 947 95 95 THR H H 8.803 0.030 1 948 95 95 THR HA H 5.156 0.030 1 949 95 95 THR HB H 3.986 0.030 1 950 95 95 THR HG2 H 1.036 0.030 1 951 95 95 THR C C 172.478 0.300 1 952 95 95 THR CA C 62.141 0.300 1 953 95 95 THR CB C 70.115 0.300 1 954 95 95 THR CG2 C 20.947 0.300 1 955 95 95 THR N N 118.140 0.300 1 956 96 96 ALA H H 9.235 0.030 1 957 96 96 ALA HA H 4.539 0.030 1 958 96 96 ALA HB H 0.994 0.030 1 959 96 96 ALA C C 175.919 0.300 1 960 96 96 ALA CA C 49.845 0.300 1 961 96 96 ALA CB C 21.826 0.300 1 962 96 96 ALA N N 130.344 0.300 1 963 97 97 LYS H H 7.677 0.030 1 964 97 97 LYS HA H 4.837 0.030 1 965 97 97 LYS HB2 H 1.849 0.030 1 966 97 97 LYS HB3 H 1.849 0.030 1 967 97 97 LYS HD2 H 1.672 0.030 1 968 97 97 LYS HD3 H 1.672 0.030 1 969 97 97 LYS HE2 H 2.937 0.030 1 970 97 97 LYS HE3 H 2.937 0.030 1 971 97 97 LYS HG2 H 1.456 0.030 2 972 97 97 LYS HG3 H 1.387 0.030 2 973 97 97 LYS C C 175.254 0.300 1 974 97 97 LYS CA C 55.572 0.300 1 975 97 97 LYS CB C 32.686 0.300 1 976 97 97 LYS CD C 28.771 0.300 1 977 97 97 LYS CE C 42.189 0.300 1 978 97 97 LYS CG C 24.484 0.300 1 979 97 97 LYS N N 121.986 0.300 1 980 98 98 ILE H H 9.234 0.030 1 981 98 98 ILE HA H 4.769 0.030 1 982 98 98 ILE HB H 2.553 0.030 1 983 98 98 ILE HD1 H 0.465 0.030 1 984 98 98 ILE HG12 H 0.645 0.030 2 985 98 98 ILE HG13 H 1.580 0.030 2 986 98 98 ILE HG2 H 0.576 0.030 1 987 98 98 ILE C C 177.835 0.300 1 988 98 98 ILE CA C 57.070 0.300 1 989 98 98 ILE CB C 35.310 0.300 1 990 98 98 ILE CD1 C 7.441 0.300 1 991 98 98 ILE CG1 C 27.770 0.300 1 992 98 98 ILE CG2 C 17.272 0.300 1 993 98 98 ILE N N 129.115 0.300 1 994 99 99 THR H H 8.849 0.030 1 995 99 99 THR HA H 4.678 0.030 1 996 99 99 THR HB H 4.496 0.030 1 997 99 99 THR HG2 H 1.346 0.030 1 998 99 99 THR C C 174.233 0.300 1 999 99 99 THR CA C 60.791 0.300 1 1000 99 99 THR CB C 71.013 0.300 1 1001 99 99 THR CG2 C 21.592 0.300 1 1002 99 99 THR N N 121.836 0.300 1 1003 100 100 GLY H H 8.679 0.030 1 1004 100 100 GLY HA2 H 4.200 0.030 2 1005 100 100 GLY HA3 H 3.879 0.030 2 1006 100 100 GLY C C 173.009 0.300 1 1007 100 100 GLY CA C 44.862 0.300 1 1008 100 100 GLY N N 107.854 0.300 1 1009 101 101 ASP H H 8.296 0.030 1 1010 101 101 ASP HA H 4.693 0.030 1 1011 101 101 ASP HB2 H 2.681 0.030 1 1012 101 101 ASP HB3 H 2.681 0.030 1 1013 101 101 ASP C C 176.334 0.300 1 1014 101 101 ASP CA C 53.757 0.300 1 1015 101 101 ASP CB C 41.625 0.300 1 1016 101 101 ASP N N 119.545 0.300 1 1017 102 102 ASP H H 8.460 0.030 1 1018 102 102 ASP HA H 4.592 0.030 1 1019 102 102 ASP HB2 H 2.681 0.030 1 1020 102 102 ASP HB3 H 2.681 0.030 1 1021 102 102 ASP C C 177.035 0.300 1 1022 102 102 ASP CA C 54.576 0.300 1 1023 102 102 ASP CB C 40.915 0.300 1 1024 102 102 ASP N N 122.318 0.300 1 1025 103 103 SER H H 8.401 0.030 1 1026 103 103 SER HA H 4.295 0.030 1 1027 103 103 SER HB2 H 3.897 0.030 2 1028 103 103 SER C C 175.030 0.300 1 1029 103 103 SER CA C 59.713 0.300 1 1030 103 103 SER CB C 63.758 0.300 1 1031 103 103 SER N N 116.313 0.300 1 1032 104 104 MET H H 8.186 0.030 1 1033 104 104 MET HA H 4.461 0.030 1 1034 104 104 MET HB2 H 2.106 0.030 2 1035 104 104 MET HB3 H 2.007 0.030 2 1036 104 104 MET HE H 2.062 0.030 1 1037 104 104 MET HG2 H 2.589 0.030 2 1038 104 104 MET HG3 H 2.491 0.030 2 1039 104 104 MET C C 176.276 0.300 1 1040 104 104 MET CA C 55.672 0.300 1 1041 104 104 MET CB C 32.339 0.300 1 1042 104 104 MET CE C 16.950 0.300 1 1043 104 104 MET CG C 32.156 0.300 1 1044 104 104 MET N N 121.181 0.300 1 1045 105 105 ARG H H 8.125 0.030 1 1046 105 105 ARG HA H 4.355 0.030 1 1047 105 105 ARG HB2 H 1.865 0.030 2 1048 105 105 ARG HB3 H 1.770 0.030 2 1049 105 105 ARG HD2 H 3.163 0.030 1 1050 105 105 ARG HD3 H 3.163 0.030 1 1051 105 105 ARG HG2 H 1.601 0.030 1 1052 105 105 ARG HG3 H 1.601 0.030 1 1053 105 105 ARG C C 176.282 0.300 1 1054 105 105 ARG CA C 56.157 0.300 1 1055 105 105 ARG CB C 30.790 0.300 1 1056 105 105 ARG CD C 43.310 0.300 1 1057 105 105 ARG CG C 27.068 0.300 1 1058 105 105 ARG N N 121.838 0.300 1 1059 106 106 SER H H 8.325 0.030 1 1060 106 106 SER C C 174.503 0.300 1 1061 106 106 SER CA C 58.260 0.300 1 1062 106 106 SER N N 116.965 0.300 1 1063 107 107 GLY H H 8.233 0.030 1 1064 107 107 GLY HA2 H 4.062 0.030 2 1065 107 107 GLY HA3 H 4.134 0.030 2 1066 107 107 GLY CA C 44.644 0.300 1 1067 107 107 GLY N N 110.719 0.300 1 1068 108 108 PRO HA H 4.460 0.030 1 1069 108 108 PRO HB2 H 2.274 0.030 2 1070 108 108 PRO HB3 H 2.004 0.030 2 1071 108 108 PRO HD2 H 3.610 0.030 1 1072 108 108 PRO HD3 H 3.610 0.030 1 1073 108 108 PRO HG2 H 1.997 0.030 1 1074 108 108 PRO HG3 H 1.997 0.030 1 1075 108 108 PRO C C 177.422 0.300 1 1076 108 108 PRO CA C 63.246 0.300 1 1077 108 108 PRO CB C 32.192 0.300 1 1078 108 108 PRO CD C 49.778 0.300 1 1079 108 108 PRO CG C 27.123 0.300 1 1080 109 109 SER H H 8.528 0.030 1 1081 109 109 SER C C 174.624 0.300 1 1082 109 109 SER CA C 58.366 0.300 1 1083 109 109 SER CB C 63.969 0.300 1 1084 109 109 SER N N 116.408 0.300 1 1085 110 110 SER H H 8.315 0.030 1 1086 110 110 SER HA H 4.484 0.030 1 1087 110 110 SER HB2 H 3.856 0.030 1 1088 110 110 SER HB3 H 3.856 0.030 1 1089 110 110 SER C C 173.916 0.300 1 1090 110 110 SER CA C 58.281 0.300 1 1091 110 110 SER CB C 64.134 0.300 1 1092 110 110 SER N N 117.816 0.300 1 1093 111 111 GLY H H 8.037 0.030 1 1094 111 111 GLY HA2 H 3.775 0.030 2 1095 111 111 GLY HA3 H 3.726 0.030 2 1096 111 111 GLY C C 178.972 0.300 1 1097 111 111 GLY CA C 46.189 0.300 1 1098 111 111 GLY N N 116.850 0.300 1 stop_ save_