data_10324 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the 20th Filamin domain from human Filamin-B ; _BMRB_accession_number 10324 _BMRB_flat_file_name bmr10324.str _Entry_type original _Submission_date 2009-04-02 _Accession_date 2009-04-02 _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 Koshiba S. . . 3 Watanabe S. . . 4 Harada T. . . 5 Kigawa T. . . 6 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" 395 "15N chemical shifts" 89 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-04-07 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the 20th Filamin domain from human Filamin-B' _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 Koshiba S. . . 3 Watanabe S. . . 4 Harada T. . . 5 Kigawa T. . . 6 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-B _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 102 _Mol_residue_sequence ; GSSGSSGRAPSVATVGSICD LNLKIPEINSSDMSAHVTSP SGRVTEAEIVPMGKNSHCVR FVPQEMGVHTVSVKYRGQHV TGSPFQFTVGPLGEGGSGPS SG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ARG 9 ALA 10 PRO 11 SER 12 VAL 13 ALA 14 THR 15 VAL 16 GLY 17 SER 18 ILE 19 CYS 20 ASP 21 LEU 22 ASN 23 LEU 24 LYS 25 ILE 26 PRO 27 GLU 28 ILE 29 ASN 30 SER 31 SER 32 ASP 33 MET 34 SER 35 ALA 36 HIS 37 VAL 38 THR 39 SER 40 PRO 41 SER 42 GLY 43 ARG 44 VAL 45 THR 46 GLU 47 ALA 48 GLU 49 ILE 50 VAL 51 PRO 52 MET 53 GLY 54 LYS 55 ASN 56 SER 57 HIS 58 CYS 59 VAL 60 ARG 61 PHE 62 VAL 63 PRO 64 GLN 65 GLU 66 MET 67 GLY 68 VAL 69 HIS 70 THR 71 VAL 72 SER 73 VAL 74 LYS 75 TYR 76 ARG 77 GLY 78 GLN 79 HIS 80 VAL 81 THR 82 GLY 83 SER 84 PRO 85 PHE 86 GLN 87 PHE 88 THR 89 VAL 90 GLY 91 PRO 92 LEU 93 GLY 94 GLU 95 GLY 96 GLY 97 SER 98 GLY 99 PRO 100 SER 101 SER 102 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 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 2DLG "Solution Structure Of The 20th Filamin Domain From Human Filamin-B" 100.00 102 100.00 100.00 9.69e-65 GB AAL68442 "filamin B [Homo sapiens]" 82.35 133 97.62 98.81 2.82e-51 GB AAL68443 "filamin B variant 1 [Homo sapiens]" 63.73 92 98.46 100.00 7.18e-38 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 P051205-17 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 1.14 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' 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 0.9742 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 7 7 GLY HA2 H 3.926 0.030 1 2 7 7 GLY HA3 H 3.926 0.030 1 3 7 7 GLY C C 173.753 0.300 1 4 7 7 GLY CA C 45.276 0.300 1 5 8 8 ARG H H 8.096 0.030 1 6 8 8 ARG HA H 4.327 0.030 1 7 8 8 ARG HB2 H 1.785 0.030 2 8 8 8 ARG HB3 H 1.675 0.030 2 9 8 8 ARG HD2 H 3.138 0.030 1 10 8 8 ARG HD3 H 3.138 0.030 1 11 8 8 ARG HG2 H 1.578 0.030 1 12 8 8 ARG HG3 H 1.578 0.030 1 13 8 8 ARG C C 175.634 0.300 1 14 8 8 ARG CA C 55.568 0.300 1 15 8 8 ARG CB C 31.175 0.300 1 16 8 8 ARG CD C 43.297 0.300 1 17 8 8 ARG CG C 26.956 0.300 1 18 8 8 ARG N N 120.439 0.300 1 19 9 9 ALA H H 8.394 0.030 1 20 9 9 ALA HA H 4.537 0.030 1 21 9 9 ALA HB H 1.338 0.030 1 22 9 9 ALA C C 175.473 0.300 1 23 9 9 ALA CA C 50.511 0.300 1 24 9 9 ALA CB C 18.019 0.300 1 25 9 9 ALA N N 126.963 0.300 1 26 10 10 PRO HA H 4.387 0.030 1 27 10 10 PRO HB2 H 1.831 0.030 2 28 10 10 PRO HB3 H 2.219 0.030 2 29 10 10 PRO HD2 H 3.682 0.030 2 30 10 10 PRO HD3 H 3.544 0.030 2 31 10 10 PRO HG2 H 1.832 0.030 2 32 10 10 PRO HG3 H 1.879 0.030 2 33 10 10 PRO C C 176.867 0.300 1 34 10 10 PRO CA C 63.167 0.300 1 35 10 10 PRO CB C 32.142 0.300 1 36 10 10 PRO CD C 50.348 0.300 1 37 10 10 PRO CG C 27.458 0.300 1 38 11 11 SER H H 8.437 0.030 1 39 11 11 SER HA H 4.416 0.030 1 40 11 11 SER HB2 H 3.824 0.030 1 41 11 11 SER HB3 H 3.824 0.030 1 42 11 11 SER C C 174.408 0.300 1 43 11 11 SER CA C 58.722 0.300 1 44 11 11 SER CB C 63.812 0.300 1 45 11 11 SER N N 116.416 0.300 1 46 12 12 VAL H H 8.084 0.030 1 47 12 12 VAL HA H 4.254 0.030 1 48 12 12 VAL HB H 2.076 0.030 1 49 12 12 VAL HG1 H 0.874 0.030 1 50 12 12 VAL HG2 H 0.875 0.030 1 51 12 12 VAL C C 175.122 0.300 1 52 12 12 VAL CA C 61.699 0.300 1 53 12 12 VAL CB C 33.233 0.300 1 54 12 12 VAL CG1 C 21.186 0.300 2 55 12 12 VAL CG2 C 20.368 0.300 2 56 12 12 VAL N N 120.456 0.300 1 57 13 13 ALA H H 8.376 0.030 1 58 13 13 ALA HA H 4.537 0.030 1 59 13 13 ALA HB H 1.445 0.030 1 60 13 13 ALA C C 176.173 0.300 1 61 13 13 ALA CA C 51.764 0.300 1 62 13 13 ALA CB C 20.973 0.300 1 63 13 13 ALA N N 127.929 0.300 1 64 14 14 THR H H 8.317 0.030 1 65 14 14 THR HA H 4.615 0.030 1 66 14 14 THR HB H 3.849 0.030 1 67 14 14 THR HG2 H 1.078 0.030 1 68 14 14 THR C C 173.977 0.300 1 69 14 14 THR CA C 60.408 0.300 1 70 14 14 THR CB C 72.021 0.300 1 71 14 14 THR CG2 C 21.555 0.300 1 72 14 14 THR N N 115.130 0.300 1 73 15 15 VAL H H 7.973 0.030 1 74 15 15 VAL HA H 3.223 0.030 1 75 15 15 VAL HB H 1.751 0.030 1 76 15 15 VAL HG1 H 0.858 0.030 1 77 15 15 VAL HG2 H 0.753 0.030 1 78 15 15 VAL C C 176.717 0.300 1 79 15 15 VAL CA C 64.594 0.300 1 80 15 15 VAL CB C 32.014 0.300 1 81 15 15 VAL CG1 C 21.808 0.300 2 82 15 15 VAL CG2 C 22.112 0.300 2 83 15 15 VAL N N 122.824 0.300 1 84 16 16 GLY H H 8.305 0.030 1 85 16 16 GLY HA2 H 3.466 0.030 2 86 16 16 GLY HA3 H 4.118 0.030 2 87 16 16 GLY C C 173.694 0.300 1 88 16 16 GLY CA C 45.489 0.300 1 89 16 16 GLY N N 112.343 0.300 1 90 17 17 SER H H 7.699 0.030 1 91 17 17 SER HA H 4.650 0.030 1 92 17 17 SER HB2 H 3.730 0.030 2 93 17 17 SER HB3 H 3.652 0.030 2 94 17 17 SER C C 172.466 0.300 1 95 17 17 SER CA C 57.164 0.300 1 96 17 17 SER CB C 65.233 0.300 1 97 17 17 SER N N 116.501 0.300 1 98 18 18 ILE H H 8.326 0.030 1 99 18 18 ILE HA H 3.631 0.030 1 100 18 18 ILE HB H 1.552 0.030 1 101 18 18 ILE HD1 H 0.712 0.030 1 102 18 18 ILE HG12 H 0.887 0.030 2 103 18 18 ILE HG13 H 1.476 0.030 2 104 18 18 ILE HG2 H 0.642 0.030 1 105 18 18 ILE C C 175.617 0.300 1 106 18 18 ILE CA C 63.025 0.300 1 107 18 18 ILE CB C 38.172 0.300 1 108 18 18 ILE CD1 C 13.312 0.300 1 109 18 18 ILE CG1 C 28.322 0.300 1 110 18 18 ILE CG2 C 17.846 0.300 1 111 18 18 ILE N N 122.042 0.300 1 112 19 19 CYS H H 8.715 0.030 1 113 19 19 CYS HA H 4.413 0.030 1 114 19 19 CYS HB2 H 1.921 0.030 2 115 19 19 CYS HB3 H 2.037 0.030 2 116 19 19 CYS C C 171.182 0.300 1 117 19 19 CYS CA C 58.118 0.300 1 118 19 19 CYS CB C 28.477 0.300 1 119 19 19 CYS N N 129.652 0.300 1 120 20 20 ASP H H 7.967 0.030 1 121 20 20 ASP HA H 5.258 0.030 1 122 20 20 ASP HB2 H 2.327 0.030 2 123 20 20 ASP HB3 H 2.286 0.030 2 124 20 20 ASP C C 175.517 0.300 1 125 20 20 ASP CA C 52.591 0.300 1 126 20 20 ASP CB C 43.296 0.300 1 127 20 20 ASP N N 123.878 0.300 1 128 21 21 LEU H H 9.113 0.030 1 129 21 21 LEU HA H 4.459 0.030 1 130 21 21 LEU HB2 H 1.493 0.030 2 131 21 21 LEU HB3 H 1.273 0.030 2 132 21 21 LEU HD1 H 0.476 0.030 1 133 21 21 LEU HD2 H 0.270 0.030 1 134 21 21 LEU HG H 1.190 0.030 1 135 21 21 LEU C C 174.891 0.300 1 136 21 21 LEU CA C 53.565 0.300 1 137 21 21 LEU CB C 43.171 0.300 1 138 21 21 LEU CD1 C 24.052 0.300 2 139 21 21 LEU CD2 C 24.799 0.300 2 140 21 21 LEU CG C 26.875 0.300 1 141 21 21 LEU N N 125.277 0.300 1 142 22 22 ASN H H 8.663 0.030 1 143 22 22 ASN HA H 5.030 0.030 1 144 22 22 ASN HB2 H 2.605 0.030 2 145 22 22 ASN HB3 H 2.554 0.030 2 146 22 22 ASN HD21 H 7.244 0.030 2 147 22 22 ASN HD22 H 6.783 0.030 2 148 22 22 ASN C C 174.309 0.300 1 149 22 22 ASN CA C 53.596 0.300 1 150 22 22 ASN CB C 39.760 0.300 1 151 22 22 ASN N N 124.784 0.300 1 152 22 22 ASN ND2 N 111.650 0.300 1 153 23 23 LEU H H 8.891 0.030 1 154 23 23 LEU HA H 4.591 0.030 1 155 23 23 LEU HB2 H 1.235 0.030 2 156 23 23 LEU HB3 H 1.478 0.030 2 157 23 23 LEU HD1 H 0.570 0.030 1 158 23 23 LEU HD2 H 0.431 0.030 1 159 23 23 LEU HG H 1.385 0.030 1 160 23 23 LEU C C 175.702 0.300 1 161 23 23 LEU CA C 53.701 0.300 1 162 23 23 LEU CB C 45.577 0.300 1 163 23 23 LEU CD1 C 26.540 0.300 2 164 23 23 LEU CD2 C 23.378 0.300 2 165 23 23 LEU CG C 26.671 0.300 1 166 23 23 LEU N N 123.824 0.300 1 167 24 24 LYS H H 8.693 0.030 1 168 24 24 LYS HA H 4.992 0.030 1 169 24 24 LYS HB2 H 1.762 0.030 2 170 24 24 LYS HB3 H 1.684 0.030 2 171 24 24 LYS HD2 H 1.604 0.030 1 172 24 24 LYS HD3 H 1.604 0.030 1 173 24 24 LYS HE2 H 2.892 0.030 1 174 24 24 LYS HE3 H 2.892 0.030 1 175 24 24 LYS HG2 H 1.237 0.030 2 176 24 24 LYS HG3 H 1.344 0.030 2 177 24 24 LYS C C 176.089 0.300 1 178 24 24 LYS CA C 55.030 0.300 1 179 24 24 LYS CB C 32.046 0.300 1 180 24 24 LYS CD C 28.958 0.300 1 181 24 24 LYS CE C 42.046 0.300 1 182 24 24 LYS CG C 24.441 0.300 1 183 24 24 LYS N N 124.853 0.300 1 184 25 25 ILE H H 7.919 0.030 1 185 25 25 ILE HA H 4.560 0.030 1 186 25 25 ILE HB H 1.594 0.030 1 187 25 25 ILE HD1 H 0.665 0.030 1 188 25 25 ILE HG12 H 1.042 0.030 2 189 25 25 ILE HG13 H 1.286 0.030 2 190 25 25 ILE HG2 H 0.779 0.030 1 191 25 25 ILE C C 173.399 0.300 1 192 25 25 ILE CA C 58.013 0.300 1 193 25 25 ILE CB C 40.565 0.300 1 194 25 25 ILE CD1 C 13.837 0.300 1 195 25 25 ILE CG1 C 26.471 0.300 1 196 25 25 ILE CG2 C 17.629 0.300 1 197 25 25 ILE N N 123.821 0.300 1 198 26 26 PRO HA H 4.388 0.030 1 199 26 26 PRO HB2 H 1.927 0.030 2 200 26 26 PRO HB3 H 2.247 0.030 2 201 26 26 PRO HD2 H 3.706 0.030 2 202 26 26 PRO HD3 H 3.635 0.030 2 203 26 26 PRO HG2 H 2.032 0.030 2 204 26 26 PRO HG3 H 1.897 0.030 2 205 26 26 PRO C C 176.839 0.300 1 206 26 26 PRO CA C 63.139 0.300 1 207 26 26 PRO CB C 32.733 0.300 1 208 26 26 PRO CD C 51.148 0.300 1 209 26 26 PRO CG C 27.222 0.300 1 210 27 27 GLU H H 8.321 0.030 1 211 27 27 GLU HA H 3.856 0.030 1 212 27 27 GLU HB2 H 2.089 0.030 1 213 27 27 GLU HB3 H 2.089 0.030 1 214 27 27 GLU HG2 H 2.179 0.030 2 215 27 27 GLU HG3 H 2.119 0.030 2 216 27 27 GLU C C 175.976 0.300 1 217 27 27 GLU CA C 59.055 0.300 1 218 27 27 GLU CB C 28.104 0.300 1 219 27 27 GLU CG C 36.627 0.300 1 220 27 27 GLU N N 114.044 0.300 1 221 28 28 ILE H H 7.642 0.030 1 222 28 28 ILE HA H 3.972 0.030 1 223 28 28 ILE HB H 1.243 0.030 1 224 28 28 ILE HD1 H 0.259 0.030 1 225 28 28 ILE HG12 H 0.506 0.030 2 226 28 28 ILE HG13 H 1.066 0.030 2 227 28 28 ILE HG2 H 0.363 0.030 1 228 28 28 ILE C C 175.338 0.300 1 229 28 28 ILE CA C 60.702 0.300 1 230 28 28 ILE CB C 40.234 0.300 1 231 28 28 ILE CD1 C 13.130 0.300 1 232 28 28 ILE CG1 C 26.562 0.300 1 233 28 28 ILE CG2 C 17.712 0.300 1 234 28 28 ILE N N 118.776 0.300 1 235 29 29 ASN H H 8.216 0.030 1 236 29 29 ASN HA H 4.861 0.030 1 237 29 29 ASN HB2 H 2.840 0.030 2 238 29 29 ASN HB3 H 2.712 0.030 2 239 29 29 ASN HD21 H 7.658 0.030 2 240 29 29 ASN HD22 H 6.989 0.030 2 241 29 29 ASN C C 176.887 0.300 1 242 29 29 ASN CA C 52.857 0.300 1 243 29 29 ASN CB C 39.327 0.300 1 244 29 29 ASN N N 112.130 0.300 1 245 29 29 ASN ND2 N 114.179 0.300 1 246 30 30 SER H H 8.988 0.030 1 247 30 30 SER HA H 4.008 0.030 1 248 30 30 SER HB2 H 3.737 0.030 2 249 30 30 SER HB3 H 3.814 0.030 2 250 30 30 SER C C 176.887 0.300 1 251 30 30 SER CA C 62.310 0.300 1 252 30 30 SER CB C 63.221 0.300 1 253 30 30 SER N N 120.744 0.300 1 254 31 31 SER HA H 4.291 0.030 1 255 31 31 SER HB2 H 3.976 0.030 2 256 31 31 SER HB3 H 3.868 0.030 2 257 31 31 SER C C 174.869 0.300 1 258 31 31 SER CA C 60.079 0.300 1 259 31 31 SER CB C 62.890 0.300 1 260 32 32 ASP H H 7.797 0.030 1 261 32 32 ASP HA H 4.895 0.030 1 262 32 32 ASP HB2 H 2.774 0.030 2 263 32 32 ASP HB3 H 3.046 0.030 2 264 32 32 ASP C C 175.569 0.300 1 265 32 32 ASP CA C 54.696 0.300 1 266 32 32 ASP CB C 42.412 0.300 1 267 32 32 ASP N N 119.421 0.300 1 268 33 33 MET H H 7.500 0.030 1 269 33 33 MET HA H 5.307 0.030 1 270 33 33 MET HB2 H 1.746 0.030 2 271 33 33 MET HB3 H 1.983 0.030 2 272 33 33 MET HE H 1.164 0.030 1 273 33 33 MET HG2 H 2.083 0.030 2 274 33 33 MET HG3 H 2.292 0.030 2 275 33 33 MET C C 174.880 0.300 1 276 33 33 MET CA C 54.908 0.300 1 277 33 33 MET CB C 37.106 0.300 1 278 33 33 MET CE C 16.144 0.300 1 279 33 33 MET CG C 33.063 0.300 1 280 33 33 MET N N 119.111 0.300 1 281 34 34 SER H H 8.693 0.030 1 282 34 34 SER HA H 4.674 0.030 1 283 34 34 SER HB2 H 3.719 0.030 2 284 34 34 SER HB3 H 3.668 0.030 2 285 34 34 SER C C 172.728 0.300 1 286 34 34 SER CA C 56.929 0.300 1 287 34 34 SER CB C 66.208 0.300 1 288 34 34 SER N N 113.998 0.300 1 289 35 35 ALA H H 9.088 0.030 1 290 35 35 ALA HA H 5.698 0.030 1 291 35 35 ALA HB H 1.078 0.030 1 292 35 35 ALA C C 175.050 0.300 1 293 35 35 ALA CA C 50.279 0.300 1 294 35 35 ALA CB C 23.277 0.300 1 295 35 35 ALA N N 126.123 0.300 1 296 36 36 HIS H H 8.644 0.030 1 297 36 36 HIS HA H 5.099 0.030 1 298 36 36 HIS HB2 H 2.790 0.030 2 299 36 36 HIS HB3 H 2.662 0.030 2 300 36 36 HIS HD2 H 6.659 0.030 1 301 36 36 HIS HE1 H 7.555 0.030 1 302 36 36 HIS C C 174.212 0.300 1 303 36 36 HIS CA C 56.085 0.300 1 304 36 36 HIS CB C 34.232 0.300 1 305 36 36 HIS CD2 C 118.132 0.300 1 306 36 36 HIS CE1 C 138.143 0.300 1 307 36 36 HIS N N 119.065 0.300 1 308 37 37 VAL H H 9.461 0.030 1 309 37 37 VAL HA H 4.691 0.030 1 310 37 37 VAL HB H 1.633 0.030 1 311 37 37 VAL HG1 H 0.457 0.030 1 312 37 37 VAL HG2 H 0.076 0.030 1 313 37 37 VAL C C 175.129 0.300 1 314 37 37 VAL CA C 60.593 0.300 1 315 37 37 VAL CB C 33.730 0.300 1 316 37 37 VAL CG1 C 21.431 0.300 2 317 37 37 VAL CG2 C 20.478 0.300 2 318 37 37 VAL N N 125.235 0.300 1 319 38 38 THR H H 9.397 0.030 1 320 38 38 THR HA H 5.118 0.030 1 321 38 38 THR HB H 3.934 0.030 1 322 38 38 THR HG2 H 1.126 0.030 1 323 38 38 THR C C 174.548 0.300 1 324 38 38 THR CA C 61.727 0.300 1 325 38 38 THR CB C 69.332 0.300 1 326 38 38 THR CG2 C 21.062 0.300 1 327 38 38 THR N N 124.436 0.300 1 328 39 39 SER H H 8.994 0.030 1 329 39 39 SER HA H 4.165 0.030 1 330 39 39 SER HB2 H 3.950 0.030 2 331 39 39 SER HB3 H 3.765 0.030 2 332 39 39 SER C C 174.030 0.300 1 333 39 39 SER CA C 56.574 0.300 1 334 39 39 SER CB C 62.967 0.300 1 335 39 39 SER N N 125.585 0.300 1 336 40 40 PRO HA H 4.207 0.030 1 337 40 40 PRO HB2 H 1.874 0.030 2 338 40 40 PRO HB3 H 2.380 0.030 2 339 40 40 PRO HD2 H 3.133 0.030 2 340 40 40 PRO HD3 H 1.898 0.030 2 341 40 40 PRO HG2 H 2.107 0.030 2 342 40 40 PRO HG3 H 1.831 0.030 2 343 40 40 PRO C C 177.674 0.300 1 344 40 40 PRO CA C 65.739 0.300 1 345 40 40 PRO CB C 31.485 0.300 1 346 40 40 PRO CD C 49.668 0.300 1 347 40 40 PRO CG C 26.673 0.300 1 348 41 41 SER H H 8.315 0.030 1 349 41 41 SER HA H 4.281 0.030 1 350 41 41 SER HB2 H 3.958 0.030 1 351 41 41 SER HB3 H 3.958 0.030 1 352 41 41 SER C C 175.349 0.300 1 353 41 41 SER CA C 58.996 0.300 1 354 41 41 SER CB C 62.827 0.300 1 355 41 41 SER N N 110.268 0.300 1 356 42 42 GLY H H 8.245 0.030 1 357 42 42 GLY HA2 H 3.368 0.030 2 358 42 42 GLY HA3 H 4.253 0.030 2 359 42 42 GLY C C 173.986 0.300 1 360 42 42 GLY CA C 44.736 0.300 1 361 42 42 GLY N N 111.106 0.300 1 362 43 43 ARG H H 7.275 0.030 1 363 43 43 ARG HA H 4.168 0.030 1 364 43 43 ARG HB2 H 1.725 0.030 2 365 43 43 ARG HB3 H 1.669 0.030 2 366 43 43 ARG HD2 H 3.139 0.030 1 367 43 43 ARG HD3 H 3.139 0.030 1 368 43 43 ARG HG2 H 1.606 0.030 2 369 43 43 ARG HG3 H 1.467 0.030 2 370 43 43 ARG C C 175.999 0.300 1 371 43 43 ARG CA C 56.724 0.300 1 372 43 43 ARG CB C 30.375 0.300 1 373 43 43 ARG CD C 43.302 0.300 1 374 43 43 ARG CG C 27.447 0.300 1 375 43 43 ARG N N 121.526 0.300 1 376 44 44 VAL H H 8.761 0.030 1 377 44 44 VAL HA H 5.200 0.030 1 378 44 44 VAL HB H 1.870 0.030 1 379 44 44 VAL HG1 H 0.952 0.030 1 380 44 44 VAL HG2 H 0.765 0.030 1 381 44 44 VAL C C 176.766 0.300 1 382 44 44 VAL CA C 61.464 0.300 1 383 44 44 VAL CB C 33.042 0.300 1 384 44 44 VAL CG1 C 21.111 0.300 2 385 44 44 VAL CG2 C 21.183 0.300 2 386 44 44 VAL N N 128.445 0.300 1 387 45 45 THR H H 9.159 0.030 1 388 45 45 THR HA H 4.688 0.030 1 389 45 45 THR HB H 4.058 0.030 1 390 45 45 THR HG2 H 1.259 0.030 1 391 45 45 THR C C 173.421 0.300 1 392 45 45 THR CA C 60.201 0.300 1 393 45 45 THR CB C 71.841 0.300 1 394 45 45 THR CG2 C 21.805 0.300 1 395 45 45 THR N N 121.779 0.300 1 396 46 46 GLU H H 8.906 0.030 1 397 46 46 GLU HA H 4.304 0.030 1 398 46 46 GLU HB2 H 1.962 0.030 2 399 46 46 GLU HB3 H 1.883 0.030 2 400 46 46 GLU HG2 H 2.204 0.030 2 401 46 46 GLU HG3 H 2.113 0.030 2 402 46 46 GLU C C 175.545 0.300 1 403 46 46 GLU CA C 56.959 0.300 1 404 46 46 GLU CB C 30.203 0.300 1 405 46 46 GLU CG C 36.449 0.300 1 406 46 46 GLU N N 125.417 0.300 1 407 47 47 ALA H H 8.184 0.030 1 408 47 47 ALA HA H 4.803 0.030 1 409 47 47 ALA HB H 1.084 0.030 1 410 47 47 ALA C C 175.168 0.300 1 411 47 47 ALA CA C 50.048 0.300 1 412 47 47 ALA CB C 21.472 0.300 1 413 47 47 ALA N N 128.309 0.300 1 414 48 48 GLU H H 8.150 0.030 1 415 48 48 GLU HA H 4.457 0.030 1 416 48 48 GLU HB2 H 1.948 0.030 2 417 48 48 GLU HB3 H 1.905 0.030 2 418 48 48 GLU HG2 H 2.247 0.030 2 419 48 48 GLU HG3 H 2.102 0.030 2 420 48 48 GLU C C 175.002 0.300 1 421 48 48 GLU CA C 55.432 0.300 1 422 48 48 GLU CB C 32.234 0.300 1 423 48 48 GLU CG C 36.481 0.300 1 424 48 48 GLU N N 120.933 0.300 1 425 49 49 ILE H H 8.550 0.030 1 426 49 49 ILE HA H 4.905 0.030 1 427 49 49 ILE HB H 1.726 0.030 1 428 49 49 ILE HD1 H 0.662 0.030 1 429 49 49 ILE HG12 H 1.563 0.030 2 430 49 49 ILE HG13 H 0.767 0.030 2 431 49 49 ILE HG2 H 0.741 0.030 1 432 49 49 ILE C C 175.680 0.300 1 433 49 49 ILE CA C 60.296 0.300 1 434 49 49 ILE CB C 38.293 0.300 1 435 49 49 ILE CD1 C 14.194 0.300 1 436 49 49 ILE CG1 C 27.661 0.300 1 437 49 49 ILE CG2 C 18.117 0.300 1 438 49 49 ILE N N 122.519 0.300 1 439 50 50 VAL H H 9.523 0.030 1 440 50 50 VAL HA H 4.672 0.030 1 441 50 50 VAL HB H 2.041 0.030 1 442 50 50 VAL HG1 H 0.869 0.030 1 443 50 50 VAL HG2 H 0.779 0.030 1 444 50 50 VAL C C 174.038 0.300 1 445 50 50 VAL CA C 58.357 0.300 1 446 50 50 VAL CB C 34.472 0.300 1 447 50 50 VAL CG1 C 20.812 0.300 2 448 50 50 VAL CG2 C 20.105 0.300 2 449 50 50 VAL N N 129.206 0.300 1 450 51 51 PRO HA H 4.573 0.030 1 451 51 51 PRO HB2 H 1.942 0.030 2 452 51 51 PRO HB3 H 2.390 0.030 2 453 51 51 PRO HD2 H 3.852 0.030 1 454 51 51 PRO HD3 H 3.852 0.030 1 455 51 51 PRO HG2 H 2.177 0.030 2 456 51 51 PRO HG3 H 2.095 0.030 2 457 51 51 PRO C C 177.397 0.300 1 458 51 51 PRO CA C 63.376 0.300 1 459 51 51 PRO CB C 32.156 0.300 1 460 51 51 PRO CD C 51.163 0.300 1 461 51 51 PRO CG C 27.302 0.300 1 462 52 52 MET H H 7.785 0.030 1 463 52 52 MET HA H 4.702 0.030 1 464 52 52 MET HB2 H 1.389 0.030 2 465 52 52 MET HB3 H 1.940 0.030 2 466 52 52 MET HE H 1.908 0.030 1 467 52 52 MET HG2 H 2.292 0.030 2 468 52 52 MET HG3 H 2.421 0.030 2 469 52 52 MET C C 175.735 0.300 1 470 52 52 MET CA C 53.446 0.300 1 471 52 52 MET CB C 33.042 0.300 1 472 52 52 MET CE C 16.759 0.300 1 473 52 52 MET CG C 32.101 0.300 1 474 52 52 MET N N 122.087 0.300 1 475 53 53 GLY H H 7.706 0.030 1 476 53 53 GLY HA2 H 4.147 0.030 2 477 53 53 GLY HA3 H 3.700 0.030 2 478 53 53 GLY C C 173.443 0.300 1 479 53 53 GLY CA C 43.983 0.300 1 480 53 53 GLY N N 109.185 0.300 1 481 54 54 LYS HA H 3.937 0.030 1 482 54 54 LYS HB2 H 1.686 0.030 1 483 54 54 LYS HB3 H 1.686 0.030 1 484 54 54 LYS HD2 H 1.621 0.030 1 485 54 54 LYS HD3 H 1.621 0.030 1 486 54 54 LYS HE2 H 2.934 0.030 1 487 54 54 LYS HE3 H 2.934 0.030 1 488 54 54 LYS HG2 H 1.295 0.030 2 489 54 54 LYS HG3 H 1.350 0.030 2 490 54 54 LYS C C 177.630 0.300 1 491 54 54 LYS CA C 58.091 0.300 1 492 54 54 LYS CB C 31.671 0.300 1 493 54 54 LYS CD C 29.054 0.300 1 494 54 54 LYS CE C 42.085 0.300 1 495 54 54 LYS CG C 24.645 0.300 1 496 55 55 ASN H H 8.847 0.030 1 497 55 55 ASN HA H 4.535 0.030 1 498 55 55 ASN HB2 H 2.824 0.030 2 499 55 55 ASN HB3 H 3.003 0.030 2 500 55 55 ASN HD21 H 7.185 0.030 2 501 55 55 ASN HD22 H 7.647 0.030 2 502 55 55 ASN C C 173.270 0.300 1 503 55 55 ASN CA C 54.231 0.300 1 504 55 55 ASN CB C 38.206 0.300 1 505 55 55 ASN N N 117.769 0.300 1 506 55 55 ASN ND2 N 114.058 0.300 1 507 56 56 SER H H 7.337 0.030 1 508 56 56 SER HA H 5.064 0.030 1 509 56 56 SER HB2 H 3.489 0.030 2 510 56 56 SER HB3 H 3.346 0.030 2 511 56 56 SER C C 172.768 0.300 1 512 56 56 SER CA C 57.712 0.300 1 513 56 56 SER CB C 64.910 0.300 1 514 56 56 SER N N 112.705 0.300 1 515 57 57 HIS H H 8.686 0.030 1 516 57 57 HIS HA H 4.909 0.030 1 517 57 57 HIS HB2 H 2.724 0.030 2 518 57 57 HIS HB3 H 2.473 0.030 2 519 57 57 HIS HD2 H 6.509 0.030 1 520 57 57 HIS HE1 H 7.692 0.030 1 521 57 57 HIS C C 173.891 0.300 1 522 57 57 HIS CA C 55.107 0.300 1 523 57 57 HIS CB C 34.905 0.300 1 524 57 57 HIS CD2 C 118.281 0.300 1 525 57 57 HIS CE1 C 139.402 0.300 1 526 57 57 HIS N N 124.132 0.300 1 527 58 58 CYS H H 9.294 0.030 1 528 58 58 CYS HA H 5.256 0.030 1 529 58 58 CYS HB2 H 2.757 0.030 2 530 58 58 CYS HB3 H 2.658 0.030 2 531 58 58 CYS C C 173.614 0.300 1 532 58 58 CYS CA C 56.859 0.300 1 533 58 58 CYS CB C 29.178 0.300 1 534 58 58 CYS N N 122.669 0.300 1 535 59 59 VAL H H 9.046 0.030 1 536 59 59 VAL HA H 4.659 0.030 1 537 59 59 VAL HB H 1.981 0.030 1 538 59 59 VAL HG1 H 0.583 0.030 1 539 59 59 VAL HG2 H 0.733 0.030 1 540 59 59 VAL C C 174.212 0.300 1 541 59 59 VAL CA C 61.617 0.300 1 542 59 59 VAL CB C 32.159 0.300 1 543 59 59 VAL CG1 C 21.595 0.300 2 544 59 59 VAL CG2 C 21.425 0.300 2 545 59 59 VAL N N 128.765 0.300 1 546 60 60 ARG H H 9.009 0.030 1 547 60 60 ARG HA H 5.715 0.030 1 548 60 60 ARG HB2 H 1.684 0.030 2 549 60 60 ARG HB3 H 1.554 0.030 2 550 60 60 ARG HD2 H 2.990 0.030 2 551 60 60 ARG HD3 H 2.844 0.030 2 552 60 60 ARG HE H 8.977 0.030 1 553 60 60 ARG HG2 H 1.480 0.030 2 554 60 60 ARG HG3 H 1.431 0.030 2 555 60 60 ARG C C 175.910 0.300 1 556 60 60 ARG CA C 54.766 0.300 1 557 60 60 ARG CB C 34.321 0.300 1 558 60 60 ARG CD C 43.693 0.300 1 559 60 60 ARG CG C 26.293 0.300 1 560 60 60 ARG N N 128.111 0.300 1 561 60 60 ARG NE N 86.491 0.300 1 562 61 61 PHE H H 8.679 0.030 1 563 61 61 PHE HA H 4.883 0.030 1 564 61 61 PHE HB2 H 2.987 0.030 1 565 61 61 PHE HB3 H 2.987 0.030 1 566 61 61 PHE HD1 H 6.829 0.030 1 567 61 61 PHE HD2 H 6.829 0.030 1 568 61 61 PHE HE1 H 6.741 0.030 1 569 61 61 PHE HE2 H 6.741 0.030 1 570 61 61 PHE HZ H 6.524 0.030 1 571 61 61 PHE C C 171.687 0.300 1 572 61 61 PHE CA C 55.729 0.300 1 573 61 61 PHE CB C 41.164 0.300 1 574 61 61 PHE CD1 C 132.056 0.300 1 575 61 61 PHE CD2 C 132.056 0.300 1 576 61 61 PHE CE1 C 130.455 0.300 1 577 61 61 PHE CE2 C 130.455 0.300 1 578 61 61 PHE CZ C 128.963 0.300 1 579 61 61 PHE N N 123.046 0.300 1 580 62 62 VAL H H 8.494 0.030 1 581 62 62 VAL HA H 4.674 0.030 1 582 62 62 VAL HB H 1.880 0.030 1 583 62 62 VAL HG1 H 0.540 0.030 1 584 62 62 VAL HG2 H 0.698 0.030 1 585 62 62 VAL C C 174.416 0.300 1 586 62 62 VAL CA C 58.388 0.300 1 587 62 62 VAL CB C 32.691 0.300 1 588 62 62 VAL CG1 C 20.306 0.300 2 589 62 62 VAL CG2 C 20.840 0.300 2 590 62 62 VAL N N 122.154 0.300 1 591 63 63 PRO HA H 4.625 0.030 1 592 63 63 PRO HB2 H 1.838 0.030 2 593 63 63 PRO HB3 H 2.082 0.030 2 594 63 63 PRO HD2 H 4.259 0.030 2 595 63 63 PRO HD3 H 3.333 0.030 2 596 63 63 PRO HG2 H 1.847 0.030 2 597 63 63 PRO HG3 H 1.539 0.030 2 598 63 63 PRO C C 176.730 0.300 1 599 63 63 PRO CA C 62.597 0.300 1 600 63 63 PRO CB C 33.595 0.300 1 601 63 63 PRO CD C 51.716 0.300 1 602 63 63 PRO CG C 27.619 0.300 1 603 64 64 GLN H H 9.835 0.030 1 604 64 64 GLN HA H 4.553 0.030 1 605 64 64 GLN HB2 H 1.896 0.030 2 606 64 64 GLN HB3 H 2.361 0.030 2 607 64 64 GLN HE21 H 6.874 0.030 2 608 64 64 GLN HE22 H 7.391 0.030 2 609 64 64 GLN HG2 H 2.412 0.030 1 610 64 64 GLN HG3 H 2.412 0.030 1 611 64 64 GLN C C 174.966 0.300 1 612 64 64 GLN CA C 55.035 0.300 1 613 64 64 GLN CB C 31.275 0.300 1 614 64 64 GLN CG C 33.606 0.300 1 615 64 64 GLN N N 119.959 0.300 1 616 64 64 GLN NE2 N 112.432 0.300 1 617 65 65 GLU H H 7.971 0.030 1 618 65 65 GLU HA H 4.604 0.030 1 619 65 65 GLU HB2 H 1.907 0.030 2 620 65 65 GLU HB3 H 2.191 0.030 2 621 65 65 GLU HG2 H 2.373 0.030 2 622 65 65 GLU HG3 H 2.180 0.030 2 623 65 65 GLU C C 173.894 0.300 1 624 65 65 GLU CA C 54.209 0.300 1 625 65 65 GLU CB C 33.982 0.300 1 626 65 65 GLU CG C 35.729 0.300 1 627 65 65 GLU N N 119.243 0.300 1 628 66 66 MET H H 8.418 0.030 1 629 66 66 MET HA H 4.233 0.030 1 630 66 66 MET HB2 H 2.032 0.030 2 631 66 66 MET HB3 H 1.951 0.030 2 632 66 66 MET HE H 2.097 0.030 1 633 66 66 MET HG2 H 2.507 0.030 2 634 66 66 MET HG3 H 2.405 0.030 2 635 66 66 MET C C 175.961 0.300 1 636 66 66 MET CA C 55.369 0.300 1 637 66 66 MET CB C 34.431 0.300 1 638 66 66 MET CE C 17.214 0.300 1 639 66 66 MET CG C 32.228 0.300 1 640 66 66 MET N N 117.096 0.300 1 641 67 67 GLY H H 9.017 0.030 1 642 67 67 GLY HA2 H 3.897 0.030 2 643 67 67 GLY HA3 H 4.810 0.030 2 644 67 67 GLY C C 176.450 0.300 1 645 67 67 GLY CA C 43.789 0.300 1 646 67 67 GLY N N 106.794 0.300 1 647 68 68 VAL H H 9.274 0.030 1 648 68 68 VAL HA H 4.127 0.030 1 649 68 68 VAL HB H 1.929 0.030 1 650 68 68 VAL HG1 H 0.732 0.030 1 651 68 68 VAL HG2 H 0.967 0.030 1 652 68 68 VAL C C 175.920 0.300 1 653 68 68 VAL CA C 64.962 0.300 1 654 68 68 VAL CB C 31.372 0.300 1 655 68 68 VAL CG1 C 21.200 0.300 2 656 68 68 VAL CG2 C 21.577 0.300 2 657 68 68 VAL N N 125.238 0.300 1 658 69 69 HIS H H 9.513 0.030 1 659 69 69 HIS HA H 4.756 0.030 1 660 69 69 HIS HB2 H 2.531 0.030 2 661 69 69 HIS HB3 H 2.370 0.030 2 662 69 69 HIS HD2 H 6.563 0.030 1 663 69 69 HIS HE1 H 7.837 0.030 1 664 69 69 HIS C C 174.039 0.300 1 665 69 69 HIS CA C 55.035 0.300 1 666 69 69 HIS CB C 31.422 0.300 1 667 69 69 HIS CD2 C 127.467 0.300 1 668 69 69 HIS CE1 C 140.247 0.300 1 669 69 69 HIS N N 128.339 0.300 1 670 70 70 THR H H 8.395 0.030 1 671 70 70 THR HA H 5.186 0.030 1 672 70 70 THR HB H 3.861 0.030 1 673 70 70 THR HG2 H 1.097 0.030 1 674 70 70 THR C C 173.869 0.300 1 675 70 70 THR CA C 60.911 0.300 1 676 70 70 THR CB C 70.769 0.300 1 677 70 70 THR CG2 C 21.853 0.300 1 678 70 70 THR N N 114.416 0.300 1 679 71 71 VAL H H 9.659 0.030 1 680 71 71 VAL HA H 4.757 0.030 1 681 71 71 VAL HB H 1.821 0.030 1 682 71 71 VAL HG1 H 0.661 0.030 1 683 71 71 VAL HG2 H 0.633 0.030 1 684 71 71 VAL C C 174.712 0.300 1 685 71 71 VAL CA C 60.763 0.300 1 686 71 71 VAL CB C 33.619 0.300 1 687 71 71 VAL CG1 C 20.946 0.300 2 688 71 71 VAL CG2 C 21.291 0.300 2 689 71 71 VAL N N 127.259 0.300 1 690 72 72 SER H H 9.066 0.030 1 691 72 72 SER HA H 5.060 0.030 1 692 72 72 SER HB2 H 3.585 0.030 2 693 72 72 SER HB3 H 3.714 0.030 2 694 72 72 SER C C 173.673 0.300 1 695 72 72 SER CA C 56.971 0.300 1 696 72 72 SER CB C 64.645 0.300 1 697 72 72 SER N N 123.376 0.300 1 698 73 73 VAL H H 9.903 0.030 1 699 73 73 VAL HA H 4.847 0.030 1 700 73 73 VAL HB H 2.039 0.030 1 701 73 73 VAL HG1 H 0.779 0.030 1 702 73 73 VAL HG2 H 0.895 0.030 1 703 73 73 VAL C C 174.086 0.300 1 704 73 73 VAL CA C 61.580 0.300 1 705 73 73 VAL CB C 33.533 0.300 1 706 73 73 VAL CG1 C 22.436 0.300 2 707 73 73 VAL CG2 C 21.475 0.300 2 708 73 73 VAL N N 129.114 0.300 1 709 74 74 LYS H H 8.720 0.030 1 710 74 74 LYS HA H 5.108 0.030 1 711 74 74 LYS HB2 H 1.502 0.030 2 712 74 74 LYS HB3 H 1.016 0.030 2 713 74 74 LYS HD2 H 0.860 0.030 2 714 74 74 LYS HD3 H 1.140 0.030 2 715 74 74 LYS HE2 H 1.815 0.030 2 716 74 74 LYS HE3 H 2.102 0.030 2 717 74 74 LYS HG2 H 0.872 0.030 2 718 74 74 LYS HG3 H 0.283 0.030 2 719 74 74 LYS C C 174.838 0.300 1 720 74 74 LYS CA C 54.342 0.300 1 721 74 74 LYS CB C 37.576 0.300 1 722 74 74 LYS CD C 29.238 0.300 1 723 74 74 LYS CE C 41.156 0.300 1 724 74 74 LYS CG C 25.063 0.300 1 725 74 74 LYS N N 123.736 0.300 1 726 75 75 TYR H H 8.881 0.030 1 727 75 75 TYR HA H 4.878 0.030 1 728 75 75 TYR HB2 H 2.765 0.030 2 729 75 75 TYR HB3 H 2.635 0.030 2 730 75 75 TYR HD1 H 7.021 0.030 1 731 75 75 TYR HD2 H 7.021 0.030 1 732 75 75 TYR HE1 H 6.810 0.030 1 733 75 75 TYR HE2 H 6.810 0.030 1 734 75 75 TYR C C 175.240 0.300 1 735 75 75 TYR CA C 55.995 0.300 1 736 75 75 TYR CB C 41.362 0.300 1 737 75 75 TYR CD1 C 133.309 0.300 1 738 75 75 TYR CD2 C 133.309 0.300 1 739 75 75 TYR CE1 C 118.256 0.300 1 740 75 75 TYR CE2 C 118.256 0.300 1 741 75 75 TYR N N 120.392 0.300 1 742 76 76 ARG H H 9.102 0.030 1 743 76 76 ARG HA H 3.606 0.030 1 744 76 76 ARG HB2 H 1.305 0.030 2 745 76 76 ARG HB3 H 1.662 0.030 2 746 76 76 ARG HD2 H 2.807 0.030 2 747 76 76 ARG HD3 H 2.757 0.030 2 748 76 76 ARG HG2 H 0.910 0.030 2 749 76 76 ARG HG3 H 0.379 0.030 2 750 76 76 ARG C C 176.466 0.300 1 751 76 76 ARG CA C 57.064 0.300 1 752 76 76 ARG CB C 27.479 0.300 1 753 76 76 ARG CD C 43.725 0.300 1 754 76 76 ARG CG C 26.869 0.300 1 755 76 76 ARG N N 127.215 0.300 1 756 77 77 GLY H H 8.541 0.030 1 757 77 77 GLY HA2 H 3.409 0.030 2 758 77 77 GLY HA3 H 4.049 0.030 2 759 77 77 GLY C C 173.614 0.300 1 760 77 77 GLY CA C 45.321 0.300 1 761 77 77 GLY N N 102.378 0.300 1 762 78 78 GLN H H 7.619 0.030 1 763 78 78 GLN HA H 4.687 0.030 1 764 78 78 GLN HB2 H 1.940 0.030 2 765 78 78 GLN HB3 H 2.166 0.030 2 766 78 78 GLN HE21 H 6.871 0.030 2 767 78 78 GLN HE22 H 7.570 0.030 2 768 78 78 GLN HG2 H 2.280 0.030 2 769 78 78 GLN HG3 H 2.375 0.030 2 770 78 78 GLN C C 175.671 0.300 1 771 78 78 GLN CA C 53.249 0.300 1 772 78 78 GLN CB C 31.298 0.300 1 773 78 78 GLN CG C 33.200 0.300 1 774 78 78 GLN N N 118.980 0.300 1 775 78 78 GLN NE2 N 112.903 0.300 1 776 79 79 HIS H H 8.759 0.030 1 777 79 79 HIS HA H 4.493 0.030 1 778 79 79 HIS HB2 H 3.168 0.030 2 779 79 79 HIS HB3 H 2.872 0.030 2 780 79 79 HIS HD2 H 7.163 0.030 1 781 79 79 HIS HE1 H 7.639 0.030 1 782 79 79 HIS C C 178.136 0.300 1 783 79 79 HIS CA C 58.905 0.300 1 784 79 79 HIS CB C 32.326 0.300 1 785 79 79 HIS CD2 C 118.221 0.300 1 786 79 79 HIS CE1 C 137.498 0.300 1 787 79 79 HIS N N 123.288 0.300 1 788 80 80 VAL H H 8.399 0.030 1 789 80 80 VAL HA H 4.487 0.030 1 790 80 80 VAL HB H 2.448 0.030 1 791 80 80 VAL HG1 H 0.933 0.030 1 792 80 80 VAL HG2 H 0.925 0.030 1 793 80 80 VAL C C 176.009 0.300 1 794 80 80 VAL CA C 60.338 0.300 1 795 80 80 VAL CB C 32.473 0.300 1 796 80 80 VAL CG1 C 21.859 0.300 2 797 80 80 VAL CG2 C 17.644 0.300 2 798 80 80 VAL N N 117.720 0.300 1 799 81 81 THR H H 8.470 0.030 1 800 81 81 THR HA H 3.870 0.030 1 801 81 81 THR HB H 4.001 0.030 1 802 81 81 THR HG2 H 1.232 0.030 1 803 81 81 THR C C 174.758 0.300 1 804 81 81 THR CA C 65.458 0.300 1 805 81 81 THR CB C 68.914 0.300 1 806 81 81 THR CG2 C 21.567 0.300 1 807 81 81 THR N N 118.066 0.300 1 808 82 82 GLY H H 8.520 0.030 1 809 82 82 GLY HA2 H 3.300 0.030 2 810 82 82 GLY HA3 H 4.157 0.030 2 811 82 82 GLY C C 172.148 0.300 1 812 82 82 GLY CA C 44.754 0.300 1 813 82 82 GLY N N 116.117 0.300 1 814 83 83 SER H H 7.751 0.030 1 815 83 83 SER HA H 4.089 0.030 1 816 83 83 SER HB2 H 3.690 0.030 2 817 83 83 SER HB3 H 4.474 0.030 2 818 83 83 SER C C 174.132 0.300 1 819 83 83 SER CA C 54.608 0.300 1 820 83 83 SER CB C 62.699 0.300 1 821 83 83 SER N N 112.999 0.300 1 822 84 84 PRO HA H 5.486 0.030 1 823 84 84 PRO HB2 H 1.728 0.030 2 824 84 84 PRO HB3 H 2.116 0.030 2 825 84 84 PRO HD2 H 3.200 0.030 2 826 84 84 PRO HD3 H 2.263 0.030 2 827 84 84 PRO HG2 H 1.722 0.030 1 828 84 84 PRO HG3 H 1.722 0.030 1 829 84 84 PRO C C 176.028 0.300 1 830 84 84 PRO CA C 62.565 0.300 1 831 84 84 PRO CB C 34.450 0.300 1 832 84 84 PRO CD C 49.817 0.300 1 833 84 84 PRO CG C 24.405 0.300 1 834 85 85 PHE H H 9.103 0.030 1 835 85 85 PHE HA H 4.771 0.030 1 836 85 85 PHE HB2 H 2.941 0.030 2 837 85 85 PHE HB3 H 3.259 0.030 2 838 85 85 PHE HD1 H 7.302 0.030 1 839 85 85 PHE HD2 H 7.302 0.030 1 840 85 85 PHE HE1 H 7.093 0.030 1 841 85 85 PHE HE2 H 7.093 0.030 1 842 85 85 PHE HZ H 7.161 0.030 1 843 85 85 PHE C C 175.277 0.300 1 844 85 85 PHE CA C 56.724 0.300 1 845 85 85 PHE CB C 41.161 0.300 1 846 85 85 PHE CD1 C 132.657 0.300 1 847 85 85 PHE CD2 C 132.657 0.300 1 848 85 85 PHE CE1 C 130.487 0.300 1 849 85 85 PHE CE2 C 130.487 0.300 1 850 85 85 PHE CZ C 129.757 0.300 1 851 85 85 PHE N N 120.720 0.300 1 852 86 86 GLN H H 8.876 0.030 1 853 86 86 GLN HA H 5.385 0.030 1 854 86 86 GLN HB2 H 1.968 0.030 2 855 86 86 GLN HB3 H 1.897 0.030 2 856 86 86 GLN HE21 H 6.747 0.030 2 857 86 86 GLN HE22 H 7.309 0.030 2 858 86 86 GLN HG2 H 2.312 0.030 2 859 86 86 GLN HG3 H 2.234 0.030 2 860 86 86 GLN C C 175.469 0.300 1 861 86 86 GLN CA C 54.981 0.300 1 862 86 86 GLN CB C 31.857 0.300 1 863 86 86 GLN CG C 34.546 0.300 1 864 86 86 GLN N N 120.456 0.300 1 865 86 86 GLN NE2 N 112.141 0.300 1 866 87 87 PHE H H 8.773 0.030 1 867 87 87 PHE HA H 4.903 0.030 1 868 87 87 PHE HB2 H 2.893 0.030 2 869 87 87 PHE HB3 H 3.092 0.030 2 870 87 87 PHE HD1 H 6.949 0.030 1 871 87 87 PHE HD2 H 6.949 0.030 1 872 87 87 PHE HE1 H 6.998 0.030 1 873 87 87 PHE HE2 H 6.998 0.030 1 874 87 87 PHE HZ H 7.021 0.030 1 875 87 87 PHE C C 173.758 0.300 1 876 87 87 PHE CA C 56.959 0.300 1 877 87 87 PHE CB C 41.980 0.300 1 878 87 87 PHE CD1 C 131.877 0.300 1 879 87 87 PHE CD2 C 131.877 0.300 1 880 87 87 PHE CE1 C 130.891 0.300 1 881 87 87 PHE CE2 C 130.891 0.300 1 882 87 87 PHE CZ C 129.338 0.300 1 883 87 87 PHE N N 121.327 0.300 1 884 88 88 THR H H 8.887 0.030 1 885 88 88 THR HA H 4.439 0.030 1 886 88 88 THR HB H 3.949 0.030 1 887 88 88 THR HG2 H 1.027 0.030 1 888 88 88 THR C C 173.063 0.300 1 889 88 88 THR CA C 63.354 0.300 1 890 88 88 THR CB C 69.552 0.300 1 891 88 88 THR CG2 C 22.097 0.300 1 892 88 88 THR N N 121.014 0.300 1 893 89 89 VAL H H 8.218 0.030 1 894 89 89 VAL HA H 4.216 0.030 1 895 89 89 VAL HB H 2.364 0.030 1 896 89 89 VAL HG1 H 0.858 0.030 1 897 89 89 VAL HG2 H 0.585 0.030 1 898 89 89 VAL C C 176.671 0.300 1 899 89 89 VAL CA C 61.674 0.300 1 900 89 89 VAL CB C 32.891 0.300 1 901 89 89 VAL CG1 C 21.810 0.300 2 902 89 89 VAL CG2 C 21.924 0.300 2 903 89 89 VAL N N 128.115 0.300 1 904 90 90 GLY H H 8.922 0.030 1 905 90 90 GLY HA2 H 4.447 0.030 2 906 90 90 GLY HA3 H 4.096 0.030 2 907 90 90 GLY C C 170.457 0.300 1 908 90 90 GLY CA C 44.491 0.300 1 909 90 90 GLY N N 118.451 0.300 1 910 91 91 PRO HA H 4.470 0.030 1 911 91 91 PRO HB2 H 1.939 0.030 2 912 91 91 PRO HB3 H 2.299 0.030 2 913 91 91 PRO HD2 H 3.591 0.030 1 914 91 91 PRO HD3 H 3.591 0.030 1 915 91 91 PRO HG2 H 2.020 0.030 2 916 91 91 PRO HG3 H 1.907 0.030 2 917 91 91 PRO C C 176.692 0.300 1 918 91 91 PRO CA C 62.539 0.300 1 919 91 91 PRO CB C 32.611 0.300 1 920 91 91 PRO CD C 49.641 0.300 1 921 91 91 PRO CG C 26.788 0.300 1 922 92 92 LEU H H 8.340 0.030 1 923 92 92 LEU HA H 4.165 0.030 1 924 92 92 LEU HB2 H 1.538 0.030 1 925 92 92 LEU HB3 H 1.538 0.030 1 926 92 92 LEU HD1 H 0.861 0.030 1 927 92 92 LEU HD2 H 0.827 0.030 1 928 92 92 LEU HG H 1.575 0.030 1 929 92 92 LEU C C 178.007 0.300 1 930 92 92 LEU CA C 55.789 0.300 1 931 92 92 LEU CB C 42.607 0.300 1 932 92 92 LEU CD1 C 24.618 0.300 2 933 92 92 LEU CD2 C 24.392 0.300 2 934 92 92 LEU CG C 26.962 0.300 1 935 92 92 LEU N N 121.254 0.300 1 936 93 93 GLY H H 8.460 0.030 1 937 93 93 GLY HA2 H 3.925 0.030 2 938 93 93 GLY HA3 H 3.880 0.030 2 939 93 93 GLY C C 174.146 0.300 1 940 93 93 GLY CA C 45.209 0.300 1 941 93 93 GLY N N 110.873 0.300 1 942 94 94 GLU H H 8.285 0.030 1 943 94 94 GLU HA H 4.265 0.030 1 944 94 94 GLU HB2 H 2.038 0.030 2 945 94 94 GLU HB3 H 1.889 0.030 2 946 94 94 GLU HG2 H 2.201 0.030 1 947 94 94 GLU HG3 H 2.201 0.030 1 948 94 94 GLU C C 177.207 0.300 1 949 94 94 GLU CA C 56.610 0.300 1 950 94 94 GLU CB C 30.320 0.300 1 951 94 94 GLU CG C 36.190 0.300 1 952 94 94 GLU N N 120.863 0.300 1 953 95 95 GLY H H 8.566 0.030 1 954 95 95 GLY HA2 H 3.976 0.030 1 955 95 95 GLY HA3 H 3.976 0.030 1 956 95 95 GLY C C 174.845 0.300 1 957 95 95 GLY CA C 45.359 0.300 1 958 95 95 GLY N N 110.342 0.300 1 959 96 96 GLY H H 8.278 0.030 1 960 96 96 GLY HA2 H 3.952 0.030 1 961 96 96 GLY HA3 H 3.952 0.030 1 962 96 96 GLY C C 174.276 0.300 1 963 96 96 GLY CA C 45.339 0.300 1 964 96 96 GLY N N 108.824 0.300 1 965 99 99 PRO HA H 4.435 0.030 1 966 99 99 PRO HB2 H 1.932 0.030 2 967 99 99 PRO HB3 H 2.244 0.030 2 968 99 99 PRO HD2 H 3.584 0.030 1 969 99 99 PRO HD3 H 3.584 0.030 1 970 99 99 PRO HG2 H 1.971 0.030 1 971 99 99 PRO HG3 H 1.971 0.030 1 972 99 99 PRO C C 177.379 0.300 1 973 99 99 PRO CA C 63.209 0.300 1 974 99 99 PRO CB C 32.155 0.300 1 975 99 99 PRO CD C 49.769 0.300 1 976 99 99 PRO CG C 27.135 0.300 1 977 100 100 SER H H 8.520 0.030 1 978 100 100 SER HA H 4.524 0.030 1 979 100 100 SER HB2 H 3.869 0.030 2 980 100 100 SER C C 174.678 0.300 1 981 100 100 SER CA C 58.231 0.300 1 982 100 100 SER CB C 63.927 0.300 1 983 100 100 SER N N 116.493 0.300 1 984 101 101 SER HA H 4.472 0.030 1 985 101 101 SER HB2 H 3.870 0.030 1 986 101 101 SER HB3 H 3.870 0.030 1 987 101 101 SER C C 173.938 0.300 1 988 101 101 SER CA C 58.367 0.300 1 989 101 101 SER CB C 63.969 0.300 1 990 102 102 GLY H H 8.036 0.030 1 991 102 102 GLY HA2 H 3.751 0.030 2 992 102 102 GLY HA3 H 3.707 0.030 2 993 102 102 GLY C C 178.993 0.300 1 994 102 102 GLY CA C 46.202 0.300 1 995 102 102 GLY N N 116.864 0.300 1 stop_ save_