data_10325 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the 15th Filamin domain from human Filamin-B ; _BMRB_accession_number 10325 _BMRB_flat_file_name bmr10325.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 Tochio N. . . 3 Koshiba S. . . 4 Watanabe S. . . 5 Harada T. . . 6 Kigawa T. . . 7 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" 513 "13C chemical shifts" 414 "15N chemical shifts" 95 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 15th 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 Tochio N. . . 3 Koshiba S. . . 4 Watanabe S. . . 5 Harada T. . . 6 Kigawa T. . . 7 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 124 _Mol_residue_sequence ; GSSGSSGTGDASKCLATGPG IASTVKTGEEVGFVVDAKTA GKGKVTCTVLTPDGTEAEAD VIENEDGTYDIFYTAAKPGT YVIYVRFGGVDIPNSPFTVM ATDGEVTAVEEAPVNACPSG PSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 THR 9 GLY 10 ASP 11 ALA 12 SER 13 LYS 14 CYS 15 LEU 16 ALA 17 THR 18 GLY 19 PRO 20 GLY 21 ILE 22 ALA 23 SER 24 THR 25 VAL 26 LYS 27 THR 28 GLY 29 GLU 30 GLU 31 VAL 32 GLY 33 PHE 34 VAL 35 VAL 36 ASP 37 ALA 38 LYS 39 THR 40 ALA 41 GLY 42 LYS 43 GLY 44 LYS 45 VAL 46 THR 47 CYS 48 THR 49 VAL 50 LEU 51 THR 52 PRO 53 ASP 54 GLY 55 THR 56 GLU 57 ALA 58 GLU 59 ALA 60 ASP 61 VAL 62 ILE 63 GLU 64 ASN 65 GLU 66 ASP 67 GLY 68 THR 69 TYR 70 ASP 71 ILE 72 PHE 73 TYR 74 THR 75 ALA 76 ALA 77 LYS 78 PRO 79 GLY 80 THR 81 TYR 82 VAL 83 ILE 84 TYR 85 VAL 86 ARG 87 PHE 88 GLY 89 GLY 90 VAL 91 ASP 92 ILE 93 PRO 94 ASN 95 SER 96 PRO 97 PHE 98 THR 99 VAL 100 MET 101 ALA 102 THR 103 ASP 104 GLY 105 GLU 106 VAL 107 THR 108 ALA 109 VAL 110 GLU 111 GLU 112 ALA 113 PRO 114 VAL 115 ASN 116 ALA 117 CYS 118 PRO 119 SER 120 GLY 121 PRO 122 SER 123 SER 124 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 2DMB "Solution Structure Of The 15th Filamin Domain From Human Filamin-B" 100.00 124 100.00 100.00 4.56e-79 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 P051205-15 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 1.21 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 900 _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 7 7 GLY C C 174.173 0.300 1 2 8 8 THR H H 8.090 0.030 1 3 8 8 THR HA H 4.360 0.030 1 4 8 8 THR HB H 4.315 0.030 1 5 8 8 THR HG2 H 1.236 0.030 1 6 8 8 THR C C 174.887 0.300 1 7 8 8 THR CA C 61.882 0.300 1 8 8 8 THR CB C 70.202 0.300 1 9 8 8 THR CG2 C 21.576 0.300 1 10 8 8 THR N N 112.837 0.300 1 11 9 9 GLY H H 8.463 0.030 1 12 9 9 GLY HA2 H 4.149 0.030 2 13 9 9 GLY HA3 H 4.624 0.030 2 14 9 9 GLY C C 173.425 0.300 1 15 9 9 GLY CA C 45.682 0.300 1 16 9 9 GLY N N 112.224 0.300 1 17 10 10 ASP H H 8.961 0.030 1 18 10 10 ASP HA H 4.925 0.030 1 19 10 10 ASP HB2 H 2.485 0.030 2 20 10 10 ASP HB3 H 2.777 0.030 2 21 10 10 ASP C C 175.596 0.300 1 22 10 10 ASP CA C 52.615 0.300 1 23 10 10 ASP CB C 41.825 0.300 1 24 10 10 ASP N N 121.185 0.300 1 25 11 11 ALA H H 8.937 0.030 1 26 11 11 ALA HA H 3.814 0.030 1 27 11 11 ALA HB H 1.625 0.030 1 28 11 11 ALA C C 178.504 0.300 1 29 11 11 ALA CA C 54.942 0.300 1 30 11 11 ALA CB C 19.784 0.300 1 31 11 11 ALA N N 126.477 0.300 1 32 12 12 SER H H 8.194 0.030 1 33 12 12 SER HA H 4.203 0.030 1 34 12 12 SER HB2 H 4.013 0.030 2 35 12 12 SER HB3 H 3.931 0.030 2 36 12 12 SER C C 174.938 0.300 1 37 12 12 SER CA C 60.788 0.300 1 38 12 12 SER CB C 62.856 0.300 1 39 12 12 SER N N 110.691 0.300 1 40 13 13 LYS H H 7.317 0.030 1 41 13 13 LYS HA H 4.213 0.030 1 42 13 13 LYS HB2 H 2.004 0.030 2 43 13 13 LYS HB3 H 1.375 0.030 2 44 13 13 LYS HD2 H 1.527 0.030 1 45 13 13 LYS HD3 H 1.527 0.030 1 46 13 13 LYS HE2 H 2.936 0.030 1 47 13 13 LYS HE3 H 2.936 0.030 1 48 13 13 LYS HG2 H 1.182 0.030 2 49 13 13 LYS HG3 H 1.372 0.030 2 50 13 13 LYS C C 177.252 0.300 1 51 13 13 LYS CA C 55.143 0.300 1 52 13 13 LYS CB C 32.026 0.300 1 53 13 13 LYS CD C 28.279 0.300 1 54 13 13 LYS CE C 42.360 0.300 1 55 13 13 LYS CG C 25.131 0.300 1 56 13 13 LYS N N 120.124 0.300 1 57 14 14 CYS H H 7.272 0.030 1 58 14 14 CYS HA H 4.821 0.030 1 59 14 14 CYS HB2 H 2.202 0.030 2 60 14 14 CYS HB3 H 2.945 0.030 2 61 14 14 CYS C C 174.276 0.300 1 62 14 14 CYS CA C 59.830 0.300 1 63 14 14 CYS CB C 29.799 0.300 1 64 14 14 CYS N N 117.801 0.300 1 65 15 15 LEU H H 7.986 0.030 1 66 15 15 LEU HA H 4.825 0.030 1 67 15 15 LEU HB2 H 1.694 0.030 2 68 15 15 LEU HB3 H 1.614 0.030 2 69 15 15 LEU HD1 H 0.945 0.030 1 70 15 15 LEU HD2 H 0.886 0.030 1 71 15 15 LEU HG H 1.516 0.030 1 72 15 15 LEU C C 175.565 0.300 1 73 15 15 LEU CA C 54.277 0.300 1 74 15 15 LEU CB C 45.809 0.300 1 75 15 15 LEU CD1 C 24.723 0.300 2 76 15 15 LEU CD2 C 24.723 0.300 2 77 15 15 LEU CG C 27.245 0.300 1 78 15 15 LEU N N 122.000 0.300 1 79 16 16 ALA H H 8.723 0.030 1 80 16 16 ALA HA H 5.929 0.030 1 81 16 16 ALA HB H 1.272 0.030 1 82 16 16 ALA C C 176.072 0.300 1 83 16 16 ALA CA C 50.412 0.300 1 84 16 16 ALA CB C 22.012 0.300 1 85 16 16 ALA N N 128.863 0.300 1 86 17 17 THR H H 9.035 0.030 1 87 17 17 THR HA H 4.582 0.030 1 88 17 17 THR HB H 4.127 0.030 1 89 17 17 THR HG2 H 1.146 0.030 1 90 17 17 THR C C 172.822 0.300 1 91 17 17 THR CA C 60.785 0.300 1 92 17 17 THR CB C 72.413 0.300 1 93 17 17 THR CG2 C 21.325 0.300 1 94 17 17 THR N N 113.484 0.300 1 95 18 18 GLY H H 8.235 0.030 1 96 18 18 GLY HA2 H 4.962 0.030 2 97 18 18 GLY HA3 H 4.041 0.030 2 98 18 18 GLY C C 173.133 0.300 1 99 18 18 GLY CA C 44.729 0.300 1 100 18 18 GLY N N 109.416 0.300 1 101 19 19 PRO HA H 4.306 0.030 1 102 19 19 PRO HB2 H 2.403 0.030 2 103 19 19 PRO HB3 H 2.041 0.030 2 104 19 19 PRO HD2 H 3.664 0.030 2 105 19 19 PRO HD3 H 3.961 0.030 2 106 19 19 PRO HG2 H 2.105 0.030 2 107 19 19 PRO HG3 H 2.410 0.030 2 108 19 19 PRO C C 180.153 0.300 1 109 19 19 PRO CA C 65.384 0.300 1 110 19 19 PRO CB C 31.921 0.300 1 111 19 19 PRO CD C 50.012 0.300 1 112 19 19 PRO CG C 27.739 0.300 1 113 20 20 GLY H H 8.876 0.030 1 114 20 20 GLY HA2 H 3.227 0.030 2 115 20 20 GLY HA3 H 3.916 0.030 2 116 20 20 GLY C C 171.765 0.300 1 117 20 20 GLY CA C 46.272 0.300 1 118 20 20 GLY N N 102.216 0.300 1 119 21 21 ILE H H 6.729 0.030 1 120 21 21 ILE HA H 4.133 0.030 1 121 21 21 ILE HB H 1.211 0.030 1 122 21 21 ILE HD1 H -0.110 0.030 1 123 21 21 ILE HG12 H 0.655 0.030 2 124 21 21 ILE HG13 H -0.064 0.030 2 125 21 21 ILE HG2 H -1.110 0.030 1 126 21 21 ILE C C 176.151 0.300 1 127 21 21 ILE CA C 60.113 0.300 1 128 21 21 ILE CB C 36.370 0.300 1 129 21 21 ILE CD1 C 14.255 0.300 1 130 21 21 ILE CG1 C 25.891 0.300 1 131 21 21 ILE CG2 C 16.242 0.300 1 132 21 21 ILE N N 107.529 0.300 1 133 22 22 ALA H H 6.905 0.030 1 134 22 22 ALA HA H 4.320 0.030 1 135 22 22 ALA HB H 1.609 0.030 1 136 22 22 ALA C C 174.620 0.300 1 137 22 22 ALA CA C 51.978 0.300 1 138 22 22 ALA CB C 19.800 0.300 1 139 22 22 ALA N N 125.447 0.300 1 140 23 23 SER H H 8.093 0.030 1 141 23 23 SER HA H 4.228 0.030 1 142 23 23 SER HB2 H 4.023 0.030 2 143 23 23 SER HB3 H 3.986 0.030 2 144 23 23 SER C C 176.042 0.300 1 145 23 23 SER CA C 61.670 0.300 1 146 23 23 SER CB C 63.533 0.300 1 147 23 23 SER N N 108.359 0.300 1 148 24 24 THR H H 7.378 0.030 1 149 24 24 THR HA H 5.804 0.030 1 150 24 24 THR HB H 4.028 0.030 1 151 24 24 THR HG2 H 1.176 0.030 1 152 24 24 THR C C 173.201 0.300 1 153 24 24 THR CA C 59.536 0.300 1 154 24 24 THR CB C 72.153 0.300 1 155 24 24 THR CG2 C 21.865 0.300 1 156 24 24 THR N N 111.172 0.300 1 157 25 25 VAL H H 8.633 0.030 1 158 25 25 VAL HA H 4.465 0.030 1 159 25 25 VAL HB H 2.121 0.030 1 160 25 25 VAL HG1 H 0.813 0.030 1 161 25 25 VAL HG2 H 0.515 0.030 1 162 25 25 VAL C C 173.969 0.300 1 163 25 25 VAL CA C 59.194 0.300 1 164 25 25 VAL CB C 35.871 0.300 1 165 25 25 VAL CG1 C 21.726 0.300 2 166 25 25 VAL CG2 C 17.978 0.300 2 167 25 25 VAL N N 116.905 0.300 1 168 26 26 LYS H H 8.280 0.030 1 169 26 26 LYS HA H 4.927 0.030 1 170 26 26 LYS HB2 H 1.597 0.030 2 171 26 26 LYS HB3 H 1.748 0.030 2 172 26 26 LYS HD2 H 1.667 0.030 1 173 26 26 LYS HD3 H 1.667 0.030 1 174 26 26 LYS HE2 H 2.968 0.030 1 175 26 26 LYS HE3 H 2.968 0.030 1 176 26 26 LYS HG2 H 1.483 0.030 1 177 26 26 LYS HG3 H 1.483 0.030 1 178 26 26 LYS C C 177.235 0.300 1 179 26 26 LYS CA C 55.091 0.300 1 180 26 26 LYS CB C 33.524 0.300 1 181 26 26 LYS CD C 29.143 0.300 1 182 26 26 LYS CE C 42.193 0.300 1 183 26 26 LYS CG C 24.718 0.300 1 184 26 26 LYS N N 122.057 0.300 1 185 27 27 THR H H 8.083 0.030 1 186 27 27 THR HA H 4.237 0.030 1 187 27 27 THR HB H 3.964 0.030 1 188 27 27 THR HG2 H 0.805 0.030 1 189 27 27 THR C C 176.620 0.300 1 190 27 27 THR CA C 62.460 0.300 1 191 27 27 THR CB C 69.405 0.300 1 192 27 27 THR CG2 C 22.161 0.300 1 193 27 27 THR N N 116.037 0.300 1 194 28 28 GLY H H 8.670 0.030 1 195 28 28 GLY HA2 H 3.547 0.030 2 196 28 28 GLY HA3 H 4.111 0.030 2 197 28 28 GLY C C 173.228 0.300 1 198 28 28 GLY CA C 45.843 0.300 1 199 28 28 GLY N N 108.319 0.300 1 200 29 29 GLU H H 7.317 0.030 1 201 29 29 GLU HA H 4.545 0.030 1 202 29 29 GLU HB2 H 1.756 0.030 2 203 29 29 GLU HB3 H 1.936 0.030 2 204 29 29 GLU HG2 H 2.053 0.030 2 205 29 29 GLU HG3 H 2.095 0.030 2 206 29 29 GLU C C 174.432 0.300 1 207 29 29 GLU CA C 54.419 0.300 1 208 29 29 GLU CB C 32.215 0.300 1 209 29 29 GLU CG C 35.880 0.300 1 210 29 29 GLU N N 117.996 0.300 1 211 30 30 GLU H H 8.549 0.030 1 212 30 30 GLU HA H 4.442 0.030 1 213 30 30 GLU HB2 H 1.756 0.030 2 214 30 30 GLU HB3 H 1.827 0.030 2 215 30 30 GLU HG2 H 2.014 0.030 1 216 30 30 GLU HG3 H 2.014 0.030 1 217 30 30 GLU C C 175.477 0.300 1 218 30 30 GLU CA C 57.213 0.300 1 219 30 30 GLU CB C 30.351 0.300 1 220 30 30 GLU CG C 37.681 0.300 1 221 30 30 GLU N N 126.117 0.300 1 222 31 31 VAL H H 9.168 0.030 1 223 31 31 VAL HA H 4.600 0.030 1 224 31 31 VAL HB H 1.711 0.030 1 225 31 31 VAL HG1 H 0.585 0.030 1 226 31 31 VAL HG2 H 0.620 0.030 1 227 31 31 VAL C C 172.964 0.300 1 228 31 31 VAL CA C 59.972 0.300 1 229 31 31 VAL CB C 35.462 0.300 1 230 31 31 VAL CG1 C 19.764 0.300 2 231 31 31 VAL CG2 C 20.504 0.300 2 232 31 31 VAL N N 127.266 0.300 1 233 32 32 GLY H H 7.920 0.030 1 234 32 32 GLY HA2 H 3.294 0.030 2 235 32 32 GLY HA3 H 5.545 0.030 2 236 32 32 GLY C C 174.171 0.300 1 237 32 32 GLY CA C 44.496 0.300 1 238 32 32 GLY N N 107.530 0.300 1 239 33 33 PHE H H 8.729 0.030 1 240 33 33 PHE HA H 4.940 0.030 1 241 33 33 PHE HB2 H 3.062 0.030 2 242 33 33 PHE HB3 H 2.584 0.030 2 243 33 33 PHE HD1 H 6.643 0.030 1 244 33 33 PHE HD2 H 6.643 0.030 1 245 33 33 PHE HE1 H 6.767 0.030 1 246 33 33 PHE HE2 H 6.767 0.030 1 247 33 33 PHE HZ H 7.015 0.030 1 248 33 33 PHE C C 171.484 0.300 1 249 33 33 PHE CA C 56.491 0.300 1 250 33 33 PHE CB C 40.078 0.300 1 251 33 33 PHE CD1 C 132.160 0.300 1 252 33 33 PHE CD2 C 132.160 0.300 1 253 33 33 PHE CE1 C 130.374 0.300 1 254 33 33 PHE CE2 C 130.374 0.300 1 255 33 33 PHE CZ C 130.309 0.300 1 256 33 33 PHE N N 114.575 0.300 1 257 34 34 VAL H H 9.196 0.030 1 258 34 34 VAL HA H 5.251 0.030 1 259 34 34 VAL HB H 1.949 0.030 1 260 34 34 VAL HG1 H 0.953 0.030 1 261 34 34 VAL HG2 H 0.924 0.030 1 262 34 34 VAL C C 176.102 0.300 1 263 34 34 VAL CA C 60.164 0.300 1 264 34 34 VAL CB C 35.926 0.300 1 265 34 34 VAL CG1 C 21.454 0.300 2 266 34 34 VAL CG2 C 20.717 0.300 2 267 34 34 VAL N N 120.358 0.300 1 268 35 35 VAL H H 9.265 0.030 1 269 35 35 VAL HA H 4.768 0.030 1 270 35 35 VAL HB H 1.997 0.030 1 271 35 35 VAL HG1 H 0.780 0.030 1 272 35 35 VAL HG2 H 0.959 0.030 1 273 35 35 VAL C C 174.824 0.300 1 274 35 35 VAL CA C 60.962 0.300 1 275 35 35 VAL CB C 34.390 0.300 1 276 35 35 VAL CG1 C 21.197 0.300 2 277 35 35 VAL CG2 C 22.959 0.300 2 278 35 35 VAL N N 123.714 0.300 1 279 36 36 ASP H H 9.212 0.030 1 280 36 36 ASP HA H 4.684 0.030 1 281 36 36 ASP HB2 H 2.599 0.030 2 282 36 36 ASP HB3 H 3.093 0.030 2 283 36 36 ASP C C 175.164 0.300 1 284 36 36 ASP CA C 53.780 0.300 1 285 36 36 ASP CB C 41.683 0.300 1 286 36 36 ASP N N 127.963 0.300 1 287 37 37 ALA H H 8.179 0.030 1 288 37 37 ALA HA H 4.836 0.030 1 289 37 37 ALA HB H 1.443 0.030 1 290 37 37 ALA C C 179.635 0.300 1 291 37 37 ALA CA C 50.669 0.300 1 292 37 37 ALA CB C 20.872 0.300 1 293 37 37 ALA N N 130.346 0.300 1 294 38 38 LYS H H 8.696 0.030 1 295 38 38 LYS HA H 4.049 0.030 1 296 38 38 LYS HB2 H 1.913 0.030 2 297 38 38 LYS HB3 H 2.057 0.030 2 298 38 38 LYS HD2 H 1.775 0.030 2 299 38 38 LYS HD3 H 1.727 0.030 2 300 38 38 LYS HE2 H 2.896 0.030 2 301 38 38 LYS HE3 H 2.960 0.030 2 302 38 38 LYS HG2 H 1.557 0.030 2 303 38 38 LYS HG3 H 1.831 0.030 2 304 38 38 LYS C C 179.474 0.300 1 305 38 38 LYS CA C 61.244 0.300 1 306 38 38 LYS CB C 33.071 0.300 1 307 38 38 LYS CD C 29.629 0.300 1 308 38 38 LYS CE C 41.864 0.300 1 309 38 38 LYS CG C 25.444 0.300 1 310 38 38 LYS N N 122.385 0.300 1 311 39 39 THR H H 8.560 0.030 1 312 39 39 THR HA H 4.582 0.030 1 313 39 39 THR HB H 4.467 0.030 1 314 39 39 THR HG2 H 1.155 0.030 1 315 39 39 THR C C 174.488 0.300 1 316 39 39 THR CA C 60.715 0.300 1 317 39 39 THR CB C 68.865 0.300 1 318 39 39 THR CG2 C 21.945 0.300 1 319 39 39 THR N N 107.538 0.300 1 320 40 40 ALA H H 7.159 0.030 1 321 40 40 ALA HA H 4.003 0.030 1 322 40 40 ALA HB H 0.595 0.030 1 323 40 40 ALA C C 176.188 0.300 1 324 40 40 ALA CA C 52.970 0.300 1 325 40 40 ALA CB C 21.418 0.300 1 326 40 40 ALA N N 123.291 0.300 1 327 41 41 GLY H H 8.196 0.030 1 328 41 41 GLY HA2 H 4.241 0.030 2 329 41 41 GLY HA3 H 3.650 0.030 2 330 41 41 GLY C C 173.969 0.300 1 331 41 41 GLY CA C 44.665 0.300 1 332 41 41 GLY N N 105.950 0.300 1 333 42 42 LYS H H 8.265 0.030 1 334 42 42 LYS HA H 4.407 0.030 1 335 42 42 LYS HB2 H 1.684 0.030 1 336 42 42 LYS HB3 H 1.684 0.030 1 337 42 42 LYS HD2 H 1.653 0.030 1 338 42 42 LYS HD3 H 1.653 0.030 1 339 42 42 LYS HE2 H 2.988 0.030 1 340 42 42 LYS HE3 H 2.988 0.030 1 341 42 42 LYS HG2 H 1.333 0.030 2 342 42 42 LYS HG3 H 1.443 0.030 2 343 42 42 LYS C C 175.762 0.300 1 344 42 42 LYS CA C 56.364 0.300 1 345 42 42 LYS CB C 33.045 0.300 1 346 42 42 LYS CD C 29.110 0.300 1 347 42 42 LYS CE C 42.277 0.300 1 348 42 42 LYS CG C 24.749 0.300 1 349 42 42 LYS N N 122.408 0.300 1 350 43 43 GLY H H 7.926 0.030 1 351 43 43 GLY HA2 H 2.917 0.030 2 352 43 43 GLY HA3 H 3.426 0.030 2 353 43 43 GLY C C 170.703 0.300 1 354 43 43 GLY CA C 44.184 0.300 1 355 43 43 GLY N N 111.972 0.300 1 356 44 44 LYS H H 7.775 0.030 1 357 44 44 LYS HA H 4.732 0.030 1 358 44 44 LYS HB2 H 1.542 0.030 2 359 44 44 LYS HB3 H 1.645 0.030 2 360 44 44 LYS HD2 H 1.713 0.030 1 361 44 44 LYS HD3 H 1.713 0.030 1 362 44 44 LYS HE2 H 2.961 0.030 1 363 44 44 LYS HE3 H 2.961 0.030 1 364 44 44 LYS HG2 H 1.358 0.030 2 365 44 44 LYS HG3 H 1.306 0.030 2 366 44 44 LYS C C 177.124 0.300 1 367 44 44 LYS CA C 54.029 0.300 1 368 44 44 LYS CB C 34.784 0.300 1 369 44 44 LYS CD C 28.902 0.300 1 370 44 44 LYS CE C 42.110 0.300 1 371 44 44 LYS CG C 24.482 0.300 1 372 44 44 LYS N N 116.813 0.300 1 373 45 45 VAL H H 6.748 0.030 1 374 45 45 VAL HA H 5.064 0.030 1 375 45 45 VAL HB H 0.464 0.030 1 376 45 45 VAL HG1 H 0.523 0.030 1 377 45 45 VAL HG2 H 0.525 0.030 1 378 45 45 VAL C C 175.039 0.300 1 379 45 45 VAL CA C 61.029 0.300 1 380 45 45 VAL CB C 32.527 0.300 1 381 45 45 VAL CG1 C 21.448 0.300 2 382 45 45 VAL CG2 C 24.513 0.300 2 383 45 45 VAL N N 126.282 0.300 1 384 46 46 THR H H 8.834 0.030 1 385 46 46 THR HA H 4.528 0.030 1 386 46 46 THR HB H 4.234 0.030 1 387 46 46 THR HG2 H 1.005 0.030 1 388 46 46 THR C C 172.699 0.300 1 389 46 46 THR CA C 59.264 0.300 1 390 46 46 THR CB C 72.233 0.300 1 391 46 46 THR CG2 C 22.155 0.300 1 392 46 46 THR N N 115.839 0.300 1 393 47 47 CYS H H 8.840 0.030 1 394 47 47 CYS HA H 5.657 0.030 1 395 47 47 CYS HB2 H 2.157 0.030 2 396 47 47 CYS HB3 H 2.713 0.030 2 397 47 47 CYS C C 173.179 0.300 1 398 47 47 CYS CA C 56.856 0.300 1 399 47 47 CYS CB C 29.857 0.300 1 400 47 47 CYS N N 120.709 0.300 1 401 48 48 THR H H 8.806 0.030 1 402 48 48 THR HA H 4.799 0.030 1 403 48 48 THR HB H 3.863 0.030 1 404 48 48 THR HG2 H 1.157 0.030 1 405 48 48 THR C C 172.024 0.300 1 406 48 48 THR CA C 61.458 0.300 1 407 48 48 THR CB C 72.036 0.300 1 408 48 48 THR CG2 C 21.745 0.300 1 409 48 48 THR N N 125.803 0.300 1 410 49 49 VAL H H 9.211 0.030 1 411 49 49 VAL HA H 4.558 0.030 1 412 49 49 VAL HB H 2.103 0.030 1 413 49 49 VAL HG1 H 0.682 0.030 1 414 49 49 VAL HG2 H 0.589 0.030 1 415 49 49 VAL C C 174.351 0.300 1 416 49 49 VAL CA C 61.351 0.300 1 417 49 49 VAL CB C 33.658 0.300 1 418 49 49 VAL CG1 C 21.357 0.300 2 419 49 49 VAL CG2 C 20.585 0.300 2 420 49 49 VAL N N 127.099 0.300 1 421 50 50 LEU H H 9.714 0.030 1 422 50 50 LEU HA H 5.034 0.030 1 423 50 50 LEU HB2 H 1.744 0.030 2 424 50 50 LEU HB3 H 1.861 0.030 2 425 50 50 LEU HD1 H 0.886 0.030 1 426 50 50 LEU HD2 H 0.917 0.030 1 427 50 50 LEU HG H 1.662 0.030 1 428 50 50 LEU C C 176.781 0.300 1 429 50 50 LEU CA C 53.888 0.300 1 430 50 50 LEU CB C 43.113 0.300 1 431 50 50 LEU CD1 C 24.712 0.300 2 432 50 50 LEU CD2 C 24.712 0.300 2 433 50 50 LEU CG C 27.490 0.300 1 434 50 50 LEU N N 129.378 0.300 1 435 51 51 THR H H 8.544 0.030 1 436 51 51 THR HA H 4.139 0.030 1 437 51 51 THR HB H 4.449 0.030 1 438 51 51 THR HG2 H 1.415 0.030 1 439 51 51 THR C C 175.221 0.300 1 440 51 51 THR CA C 60.330 0.300 1 441 51 51 THR CB C 67.979 0.300 1 442 51 51 THR CG2 C 21.995 0.300 1 443 51 51 THR N N 115.283 0.300 1 444 52 52 PRO HA H 4.333 0.030 1 445 52 52 PRO HB2 H 2.481 0.030 2 446 52 52 PRO HB3 H 1.721 0.030 2 447 52 52 PRO HD2 H 3.128 0.030 2 448 52 52 PRO HD3 H 1.898 0.030 2 449 52 52 PRO HG2 H 1.573 0.030 2 450 52 52 PRO HG3 H 1.507 0.030 2 451 52 52 PRO C C 177.313 0.300 1 452 52 52 PRO CA C 65.313 0.300 1 453 52 52 PRO CB C 32.056 0.300 1 454 52 52 PRO CD C 50.312 0.300 1 455 52 52 PRO CG C 27.250 0.300 1 456 53 53 ASP H H 7.359 0.030 1 457 53 53 ASP HA H 4.654 0.030 1 458 53 53 ASP HB2 H 2.628 0.030 2 459 53 53 ASP HB3 H 2.765 0.030 2 460 53 53 ASP C C 176.901 0.300 1 461 53 53 ASP CA C 53.570 0.300 1 462 53 53 ASP CB C 40.737 0.300 1 463 53 53 ASP N N 112.985 0.300 1 464 54 54 GLY H H 8.367 0.030 1 465 54 54 GLY HA2 H 3.617 0.030 2 466 54 54 GLY HA3 H 4.239 0.030 2 467 54 54 GLY C C 174.271 0.300 1 468 54 54 GLY CA C 45.505 0.300 1 469 54 54 GLY N N 108.708 0.300 1 470 55 55 THR H H 7.515 0.030 1 471 55 55 THR HA H 4.785 0.030 1 472 55 55 THR HB H 4.265 0.030 1 473 55 55 THR HG2 H 1.149 0.030 1 474 55 55 THR C C 173.818 0.300 1 475 55 55 THR CA C 60.968 0.300 1 476 55 55 THR CB C 70.442 0.300 1 477 55 55 THR CG2 C 21.747 0.300 1 478 55 55 THR N N 112.579 0.300 1 479 56 56 GLU H H 8.703 0.030 1 480 56 56 GLU HA H 5.270 0.030 1 481 56 56 GLU HB2 H 1.895 0.030 2 482 56 56 GLU HB3 H 1.971 0.030 2 483 56 56 GLU HG2 H 2.103 0.030 2 484 56 56 GLU HG3 H 2.272 0.030 2 485 56 56 GLU C C 176.665 0.300 1 486 56 56 GLU CA C 55.657 0.300 1 487 56 56 GLU CB C 31.525 0.300 1 488 56 56 GLU CG C 37.194 0.300 1 489 56 56 GLU N N 122.483 0.300 1 490 57 57 ALA H H 9.193 0.030 1 491 57 57 ALA HA H 4.760 0.030 1 492 57 57 ALA HB H 1.455 0.030 1 493 57 57 ALA C C 176.438 0.300 1 494 57 57 ALA CA C 50.492 0.300 1 495 57 57 ALA CB C 21.035 0.300 1 496 57 57 ALA N N 127.751 0.300 1 497 58 58 GLU H H 8.706 0.030 1 498 58 58 GLU HA H 4.557 0.030 1 499 58 58 GLU HB2 H 2.109 0.030 2 500 58 58 GLU HB3 H 2.009 0.030 2 501 58 58 GLU HG2 H 2.398 0.030 2 502 58 58 GLU HG3 H 2.337 0.030 2 503 58 58 GLU C C 176.364 0.300 1 504 58 58 GLU CA C 56.753 0.300 1 505 58 58 GLU CB C 30.310 0.300 1 506 58 58 GLU CG C 36.419 0.300 1 507 58 58 GLU N N 121.521 0.300 1 508 59 59 ALA H H 8.395 0.030 1 509 59 59 ALA HA H 4.937 0.030 1 510 59 59 ALA HB H 1.257 0.030 1 511 59 59 ALA C C 176.444 0.300 1 512 59 59 ALA CA C 50.845 0.300 1 513 59 59 ALA CB C 20.275 0.300 1 514 59 59 ALA N N 127.702 0.300 1 515 60 60 ASP H H 8.824 0.030 1 516 60 60 ASP HA H 4.852 0.030 1 517 60 60 ASP HB2 H 2.684 0.030 2 518 60 60 ASP HB3 H 2.638 0.030 2 519 60 60 ASP C C 174.427 0.300 1 520 60 60 ASP CA C 54.454 0.300 1 521 60 60 ASP CB C 42.468 0.300 1 522 60 60 ASP N N 122.836 0.300 1 523 61 61 VAL H H 8.305 0.030 1 524 61 61 VAL HA H 4.571 0.030 1 525 61 61 VAL HB H 2.122 0.030 1 526 61 61 VAL HG1 H 0.870 0.030 1 527 61 61 VAL HG2 H 0.872 0.030 1 528 61 61 VAL C C 175.609 0.300 1 529 61 61 VAL CA C 61.689 0.300 1 530 61 61 VAL CB C 33.474 0.300 1 531 61 61 VAL CG1 C 21.660 0.300 2 532 61 61 VAL CG2 C 20.953 0.300 2 533 61 61 VAL N N 123.058 0.300 1 534 62 62 ILE H H 9.830 0.030 1 535 62 62 ILE HA H 4.334 0.030 1 536 62 62 ILE HB H 2.128 0.030 1 537 62 62 ILE HD1 H 0.929 0.030 1 538 62 62 ILE HG12 H 1.545 0.030 2 539 62 62 ILE HG13 H 1.312 0.030 2 540 62 62 ILE HG2 H 0.886 0.030 1 541 62 62 ILE C C 174.601 0.300 1 542 62 62 ILE CA C 60.493 0.300 1 543 62 62 ILE CB C 39.540 0.300 1 544 62 62 ILE CD1 C 13.143 0.300 1 545 62 62 ILE CG1 C 27.884 0.300 1 546 62 62 ILE CG2 C 17.943 0.300 1 547 62 62 ILE N N 131.934 0.300 1 548 63 63 GLU H H 8.607 0.030 1 549 63 63 GLU HA H 3.796 0.030 1 550 63 63 GLU HB2 H 1.914 0.030 2 551 63 63 GLU HB3 H 1.975 0.030 2 552 63 63 GLU HG2 H 1.918 0.030 2 553 63 63 GLU HG3 H 1.870 0.030 2 554 63 63 GLU C C 175.536 0.300 1 555 63 63 GLU CA C 55.607 0.300 1 556 63 63 GLU CB C 30.516 0.300 1 557 63 63 GLU CG C 35.574 0.300 1 558 63 63 GLU N N 127.916 0.300 1 559 64 64 ASN H H 8.187 0.030 1 560 64 64 ASN HA H 4.946 0.030 1 561 64 64 ASN HB2 H 2.895 0.030 2 562 64 64 ASN HB3 H 2.676 0.030 2 563 64 64 ASN HD21 H 6.986 0.030 2 564 64 64 ASN HD22 H 7.183 0.030 2 565 64 64 ASN C C 176.689 0.300 1 566 64 64 ASN CA C 52.685 0.300 1 567 64 64 ASN CB C 39.944 0.300 1 568 64 64 ASN N N 124.767 0.300 1 569 64 64 ASN ND2 N 115.294 0.300 1 570 65 65 GLU H H 8.946 0.030 1 571 65 65 GLU HA H 4.129 0.030 1 572 65 65 GLU HB2 H 2.043 0.030 2 573 65 65 GLU HB3 H 2.118 0.030 2 574 65 65 GLU HG2 H 2.285 0.030 1 575 65 65 GLU HG3 H 2.285 0.030 1 576 65 65 GLU C C 175.915 0.300 1 577 65 65 GLU CA C 58.342 0.300 1 578 65 65 GLU CB C 29.238 0.300 1 579 65 65 GLU CG C 36.462 0.300 1 580 65 65 GLU N N 119.907 0.300 1 581 66 66 ASP H H 7.798 0.030 1 582 66 66 ASP HA H 4.515 0.030 1 583 66 66 ASP HB2 H 2.553 0.030 2 584 66 66 ASP HB3 H 3.007 0.030 2 585 66 66 ASP C C 176.823 0.300 1 586 66 66 ASP CA C 53.074 0.300 1 587 66 66 ASP CB C 40.572 0.300 1 588 66 66 ASP N N 116.753 0.300 1 589 67 67 GLY H H 7.719 0.030 1 590 67 67 GLY HA2 H 3.765 0.030 2 591 67 67 GLY HA3 H 4.213 0.030 2 592 67 67 GLY C C 173.100 0.300 1 593 67 67 GLY CA C 46.106 0.300 1 594 67 67 GLY N N 106.772 0.300 1 595 68 68 THR H H 7.576 0.030 1 596 68 68 THR HA H 5.405 0.030 1 597 68 68 THR HB H 4.139 0.030 1 598 68 68 THR HG2 H 1.142 0.030 1 599 68 68 THR C C 173.434 0.300 1 600 68 68 THR CA C 60.078 0.300 1 601 68 68 THR CB C 72.702 0.300 1 602 68 68 THR CG2 C 21.596 0.300 1 603 68 68 THR N N 107.935 0.300 1 604 69 69 TYR H H 9.013 0.030 1 605 69 69 TYR HA H 5.384 0.030 1 606 69 69 TYR HB2 H 2.646 0.030 2 607 69 69 TYR HB3 H 2.511 0.030 2 608 69 69 TYR HD1 H 6.931 0.030 1 609 69 69 TYR HD2 H 6.931 0.030 1 610 69 69 TYR HE1 H 6.864 0.030 1 611 69 69 TYR HE2 H 6.864 0.030 1 612 69 69 TYR C C 174.714 0.300 1 613 69 69 TYR CA C 56.417 0.300 1 614 69 69 TYR CB C 41.436 0.300 1 615 69 69 TYR CD1 C 132.987 0.300 1 616 69 69 TYR CD2 C 132.987 0.300 1 617 69 69 TYR CE1 C 118.291 0.300 1 618 69 69 TYR CE2 C 118.291 0.300 1 619 69 69 TYR N N 118.455 0.300 1 620 70 70 ASP H H 8.896 0.030 1 621 70 70 ASP HA H 5.036 0.030 1 622 70 70 ASP HB2 H 2.399 0.030 2 623 70 70 ASP HB3 H 2.532 0.030 2 624 70 70 ASP C C 173.992 0.300 1 625 70 70 ASP CA C 53.711 0.300 1 626 70 70 ASP CB C 43.777 0.300 1 627 70 70 ASP N N 123.300 0.300 1 628 71 71 ILE H H 8.153 0.030 1 629 71 71 ILE HA H 4.949 0.030 1 630 71 71 ILE HB H -0.197 0.030 1 631 71 71 ILE HD1 H 0.433 0.030 1 632 71 71 ILE HG12 H 0.755 0.030 2 633 71 71 ILE HG13 H 1.052 0.030 2 634 71 71 ILE HG2 H 0.522 0.030 1 635 71 71 ILE C C 173.990 0.300 1 636 71 71 ILE CA C 59.695 0.300 1 637 71 71 ILE CB C 38.472 0.300 1 638 71 71 ILE CD1 C 14.489 0.300 1 639 71 71 ILE CG1 C 28.237 0.300 1 640 71 71 ILE CG2 C 19.349 0.300 1 641 71 71 ILE N N 122.144 0.300 1 642 72 72 PHE H H 8.486 0.030 1 643 72 72 PHE HA H 5.742 0.030 1 644 72 72 PHE HB2 H 2.960 0.030 2 645 72 72 PHE HB3 H 2.721 0.030 2 646 72 72 PHE HD1 H 6.960 0.030 1 647 72 72 PHE HD2 H 6.960 0.030 1 648 72 72 PHE HE1 H 7.160 0.030 1 649 72 72 PHE HE2 H 7.160 0.030 1 650 72 72 PHE HZ H 7.179 0.030 1 651 72 72 PHE C C 175.362 0.300 1 652 72 72 PHE CA C 55.979 0.300 1 653 72 72 PHE CB C 44.086 0.300 1 654 72 72 PHE CD1 C 132.258 0.300 1 655 72 72 PHE CD2 C 132.258 0.300 1 656 72 72 PHE CE1 C 130.926 0.300 1 657 72 72 PHE CE2 C 130.926 0.300 1 658 72 72 PHE CZ C 129.340 0.300 1 659 72 72 PHE N N 121.377 0.300 1 660 73 73 TYR H H 8.960 0.030 1 661 73 73 TYR HA H 5.004 0.030 1 662 73 73 TYR HB2 H 2.998 0.030 1 663 73 73 TYR HB3 H 2.998 0.030 1 664 73 73 TYR HD1 H 6.549 0.030 1 665 73 73 TYR HD2 H 6.549 0.030 1 666 73 73 TYR HE1 H 6.107 0.030 1 667 73 73 TYR HE2 H 6.107 0.030 1 668 73 73 TYR C C 171.836 0.300 1 669 73 73 TYR CA C 57.248 0.300 1 670 73 73 TYR CB C 40.578 0.300 1 671 73 73 TYR CD1 C 132.132 0.300 1 672 73 73 TYR CD2 C 132.132 0.300 1 673 73 73 TYR CE1 C 116.731 0.300 1 674 73 73 TYR CE2 C 116.731 0.300 1 675 73 73 TYR N N 117.380 0.300 1 676 74 74 THR H H 8.566 0.030 1 677 74 74 THR HA H 4.361 0.030 1 678 74 74 THR HB H 3.836 0.030 1 679 74 74 THR HG2 H 0.773 0.030 1 680 74 74 THR C C 173.474 0.300 1 681 74 74 THR CA C 62.069 0.300 1 682 74 74 THR CB C 70.931 0.300 1 683 74 74 THR CG2 C 20.094 0.300 1 684 74 74 THR N N 114.226 0.300 1 685 75 75 ALA H H 9.013 0.030 1 686 75 75 ALA HA H 4.393 0.030 1 687 75 75 ALA HB H 0.692 0.030 1 688 75 75 ALA C C 175.780 0.300 1 689 75 75 ALA CA C 50.411 0.300 1 690 75 75 ALA CB C 17.438 0.300 1 691 75 75 ALA N N 132.162 0.300 1 692 76 76 ALA H H 8.481 0.030 1 693 76 76 ALA HA H 4.094 0.030 1 694 76 76 ALA HB H 1.514 0.030 1 695 76 76 ALA C C 177.557 0.300 1 696 76 76 ALA CA C 54.583 0.300 1 697 76 76 ALA CB C 19.632 0.300 1 698 76 76 ALA N N 126.194 0.300 1 699 77 77 LYS H H 7.279 0.030 1 700 77 77 LYS HA H 4.883 0.030 1 701 77 77 LYS HB2 H 1.643 0.030 2 702 77 77 LYS HB3 H 1.923 0.030 2 703 77 77 LYS HD2 H 1.653 0.030 1 704 77 77 LYS HD3 H 1.653 0.030 1 705 77 77 LYS HE2 H 2.980 0.030 1 706 77 77 LYS HE3 H 2.980 0.030 1 707 77 77 LYS HG2 H 1.464 0.030 1 708 77 77 LYS HG3 H 1.464 0.030 1 709 77 77 LYS C C 173.934 0.300 1 710 77 77 LYS CA C 52.827 0.300 1 711 77 77 LYS CB C 34.225 0.300 1 712 77 77 LYS CD C 29.205 0.300 1 713 77 77 LYS CE C 41.986 0.300 1 714 77 77 LYS CG C 24.532 0.300 1 715 77 77 LYS N N 113.306 0.300 1 716 78 78 PRO HA H 4.322 0.030 1 717 78 78 PRO HB2 H 2.031 0.030 2 718 78 78 PRO HB3 H 2.203 0.030 2 719 78 78 PRO HD2 H 3.713 0.030 2 720 78 78 PRO HD3 H 3.870 0.030 2 721 78 78 PRO HG2 H 2.078 0.030 1 722 78 78 PRO HG3 H 2.078 0.030 1 723 78 78 PRO C C 175.314 0.300 1 724 78 78 PRO CA C 63.075 0.300 1 725 78 78 PRO CB C 32.632 0.300 1 726 78 78 PRO CD C 50.687 0.300 1 727 78 78 PRO CG C 27.369 0.300 1 728 79 79 GLY H H 8.553 0.030 1 729 79 79 GLY HA2 H 3.822 0.030 2 730 79 79 GLY HA3 H 4.644 0.030 2 731 79 79 GLY C C 172.543 0.300 1 732 79 79 GLY CA C 43.794 0.300 1 733 79 79 GLY N N 106.874 0.300 1 734 80 80 THR H H 8.585 0.030 1 735 80 80 THR HA H 4.751 0.030 1 736 80 80 THR HB H 3.888 0.030 1 737 80 80 THR HG2 H 1.070 0.030 1 738 80 80 THR C C 173.579 0.300 1 739 80 80 THR CA C 64.323 0.300 1 740 80 80 THR CB C 69.447 0.300 1 741 80 80 THR CG2 C 22.661 0.300 1 742 80 80 THR N N 117.486 0.300 1 743 81 81 TYR H H 9.868 0.030 1 744 81 81 TYR HA H 4.777 0.030 1 745 81 81 TYR HB2 H 2.990 0.030 2 746 81 81 TYR HB3 H 2.369 0.030 2 747 81 81 TYR HD1 H 7.128 0.030 1 748 81 81 TYR HD2 H 7.128 0.030 1 749 81 81 TYR HE1 H 6.905 0.030 1 750 81 81 TYR HE2 H 6.905 0.030 1 751 81 81 TYR C C 174.186 0.300 1 752 81 81 TYR CA C 56.895 0.300 1 753 81 81 TYR CB C 40.213 0.300 1 754 81 81 TYR CD1 C 133.060 0.300 1 755 81 81 TYR CD2 C 133.060 0.300 1 756 81 81 TYR CE1 C 117.497 0.300 1 757 81 81 TYR CE2 C 117.497 0.300 1 758 81 81 TYR N N 129.736 0.300 1 759 82 82 VAL H H 8.297 0.030 1 760 82 82 VAL HA H 4.768 0.030 1 761 82 82 VAL HB H 1.877 0.030 1 762 82 82 VAL HG1 H 0.444 0.030 1 763 82 82 VAL HG2 H 0.784 0.030 1 764 82 82 VAL C C 174.481 0.300 1 765 82 82 VAL CA C 61.387 0.300 1 766 82 82 VAL CB C 33.718 0.300 1 767 82 82 VAL CG1 C 22.264 0.300 2 768 82 82 VAL CG2 C 20.794 0.300 2 769 82 82 VAL N N 121.276 0.300 1 770 83 83 ILE H H 9.265 0.030 1 771 83 83 ILE HA H 4.610 0.030 1 772 83 83 ILE HB H 1.818 0.030 1 773 83 83 ILE HD1 H 0.394 0.030 1 774 83 83 ILE HG12 H 1.193 0.030 2 775 83 83 ILE HG13 H 0.827 0.030 2 776 83 83 ILE HG2 H 0.478 0.030 1 777 83 83 ILE C C 175.608 0.300 1 778 83 83 ILE CA C 60.220 0.300 1 779 83 83 ILE CB C 39.452 0.300 1 780 83 83 ILE CD1 C 13.677 0.300 1 781 83 83 ILE CG1 C 27.754 0.300 1 782 83 83 ILE CG2 C 18.198 0.300 1 783 83 83 ILE N N 127.157 0.300 1 784 84 84 TYR H H 9.424 0.030 1 785 84 84 TYR HA H 4.611 0.030 1 786 84 84 TYR HB2 H 2.983 0.030 2 787 84 84 TYR HB3 H 2.626 0.030 2 788 84 84 TYR HD1 H 7.215 0.030 1 789 84 84 TYR HD2 H 7.215 0.030 1 790 84 84 TYR HE1 H 6.655 0.030 1 791 84 84 TYR HE2 H 6.655 0.030 1 792 84 84 TYR C C 176.040 0.300 1 793 84 84 TYR CA C 57.511 0.300 1 794 84 84 TYR CB C 38.941 0.300 1 795 84 84 TYR CD1 C 133.881 0.300 1 796 84 84 TYR CD2 C 133.881 0.300 1 797 84 84 TYR CE1 C 118.173 0.300 1 798 84 84 TYR CE2 C 118.173 0.300 1 799 84 84 TYR N N 126.772 0.300 1 800 85 85 VAL H H 9.462 0.030 1 801 85 85 VAL HA H 4.742 0.030 1 802 85 85 VAL HB H 2.111 0.030 1 803 85 85 VAL HG1 H 0.997 0.030 1 804 85 85 VAL HG2 H 1.140 0.030 1 805 85 85 VAL C C 173.708 0.300 1 806 85 85 VAL CA C 61.670 0.300 1 807 85 85 VAL CB C 33.487 0.300 1 808 85 85 VAL CG1 C 23.040 0.300 2 809 85 85 VAL CG2 C 22.594 0.300 2 810 85 85 VAL N N 125.259 0.300 1 811 86 86 ARG H H 8.782 0.030 1 812 86 86 ARG HA H 5.161 0.030 1 813 86 86 ARG HB2 H 1.560 0.030 2 814 86 86 ARG HB3 H 1.033 0.030 2 815 86 86 ARG HD2 H 2.729 0.030 2 816 86 86 ARG HD3 H 2.848 0.030 2 817 86 86 ARG HG2 H 1.268 0.030 2 818 86 86 ARG HG3 H 1.220 0.030 2 819 86 86 ARG C C 174.189 0.300 1 820 86 86 ARG CA C 54.348 0.300 1 821 86 86 ARG CB C 34.308 0.300 1 822 86 86 ARG CD C 43.244 0.300 1 823 86 86 ARG CG C 29.159 0.300 1 824 86 86 ARG N N 125.808 0.300 1 825 87 87 PHE H H 9.216 0.030 1 826 87 87 PHE HA H 4.938 0.030 1 827 87 87 PHE HB2 H 2.853 0.030 2 828 87 87 PHE HB3 H 2.735 0.030 2 829 87 87 PHE HD1 H 6.712 0.030 1 830 87 87 PHE HD2 H 6.712 0.030 1 831 87 87 PHE HE1 H 6.944 0.030 1 832 87 87 PHE HE2 H 6.944 0.030 1 833 87 87 PHE HZ H 6.862 0.030 1 834 87 87 PHE C C 177.352 0.300 1 835 87 87 PHE CA C 56.788 0.300 1 836 87 87 PHE CB C 42.590 0.300 1 837 87 87 PHE CD1 C 130.605 0.300 1 838 87 87 PHE CD2 C 130.605 0.300 1 839 87 87 PHE CE1 C 131.512 0.300 1 840 87 87 PHE CE2 C 131.512 0.300 1 841 87 87 PHE CZ C 130.478 0.300 1 842 87 87 PHE N N 120.598 0.300 1 843 88 88 GLY H H 8.428 0.030 1 844 88 88 GLY HA2 H 3.712 0.030 2 845 88 88 GLY HA3 H 3.933 0.030 2 846 88 88 GLY C C 175.190 0.300 1 847 88 88 GLY CA C 46.991 0.300 1 848 88 88 GLY N N 117.802 0.300 1 849 89 89 GLY H H 8.393 0.030 1 850 89 89 GLY HA2 H 4.177 0.030 2 851 89 89 GLY HA3 H 3.384 0.030 2 852 89 89 GLY C C 173.002 0.300 1 853 89 89 GLY CA C 44.797 0.300 1 854 89 89 GLY N N 102.342 0.300 1 855 90 90 VAL H H 7.370 0.030 1 856 90 90 VAL HA H 4.226 0.030 1 857 90 90 VAL HB H 2.101 0.030 1 858 90 90 VAL HG1 H 1.054 0.030 1 859 90 90 VAL HG2 H 0.952 0.030 1 860 90 90 VAL C C 175.262 0.300 1 861 90 90 VAL CA C 61.245 0.300 1 862 90 90 VAL CB C 34.331 0.300 1 863 90 90 VAL CG1 C 21.194 0.300 2 864 90 90 VAL CG2 C 21.217 0.300 2 865 90 90 VAL N N 121.702 0.300 1 866 91 91 ASP H H 8.655 0.030 1 867 91 91 ASP HA H 4.793 0.030 1 868 91 91 ASP HB2 H 2.479 0.030 2 869 91 91 ASP HB3 H 2.656 0.030 2 870 91 91 ASP C C 176.563 0.300 1 871 91 91 ASP CA C 57.178 0.300 1 872 91 91 ASP CB C 42.633 0.300 1 873 91 91 ASP N N 126.806 0.300 1 874 92 92 ILE H H 8.107 0.030 1 875 92 92 ILE HA H 4.428 0.030 1 876 92 92 ILE HB H 2.257 0.030 1 877 92 92 ILE HD1 H 0.901 0.030 1 878 92 92 ILE HG12 H 1.389 0.030 2 879 92 92 ILE HG13 H 1.458 0.030 2 880 92 92 ILE HG2 H 1.058 0.030 1 881 92 92 ILE C C 172.914 0.300 1 882 92 92 ILE CA C 60.538 0.300 1 883 92 92 ILE CB C 35.870 0.300 1 884 92 92 ILE CD1 C 16.234 0.300 1 885 92 92 ILE CG1 C 24.752 0.300 1 886 92 92 ILE CG2 C 18.472 0.300 1 887 92 92 ILE N N 117.336 0.300 1 888 93 93 PRO HA H 4.181 0.030 1 889 93 93 PRO HB2 H 2.282 0.030 2 890 93 93 PRO HB3 H 1.827 0.030 2 891 93 93 PRO HD2 H 3.595 0.030 2 892 93 93 PRO HD3 H 4.247 0.030 2 893 93 93 PRO HG2 H 2.289 0.030 2 894 93 93 PRO HG3 H 1.854 0.030 2 895 93 93 PRO C C 176.664 0.300 1 896 93 93 PRO CA C 65.278 0.300 1 897 93 93 PRO CB C 31.189 0.300 1 898 93 93 PRO CD C 51.274 0.300 1 899 93 93 PRO CG C 28.692 0.300 1 900 94 94 ASN H H 8.375 0.030 1 901 94 94 ASN HA H 3.838 0.030 1 902 94 94 ASN HB2 H 2.644 0.030 2 903 94 94 ASN HB3 H 3.334 0.030 2 904 94 94 ASN HD21 H 7.416 0.030 2 905 94 94 ASN HD22 H 7.022 0.030 2 906 94 94 ASN C C 171.280 0.300 1 907 94 94 ASN CA C 55.586 0.300 1 908 94 94 ASN CB C 37.470 0.300 1 909 94 94 ASN N N 113.797 0.300 1 910 94 94 ASN ND2 N 113.949 0.300 1 911 95 95 SER H H 7.453 0.030 1 912 95 95 SER HA H 3.903 0.030 1 913 95 95 SER HB2 H 4.166 0.030 2 914 95 95 SER HB3 H 3.616 0.030 2 915 95 95 SER C C 174.444 0.300 1 916 95 95 SER CA C 54.525 0.300 1 917 95 95 SER CB C 63.814 0.300 1 918 95 95 SER N N 111.491 0.300 1 919 96 96 PRO HA H 4.967 0.030 1 920 96 96 PRO HB2 H 1.038 0.030 2 921 96 96 PRO HB3 H 0.740 0.030 2 922 96 96 PRO HD2 H 3.435 0.030 2 923 96 96 PRO HD3 H 3.176 0.030 2 924 96 96 PRO HG2 H 1.486 0.030 1 925 96 96 PRO HG3 H 1.486 0.030 1 926 96 96 PRO C C 176.364 0.300 1 927 96 96 PRO CA C 61.742 0.300 1 928 96 96 PRO CB C 33.844 0.300 1 929 96 96 PRO CD C 50.125 0.300 1 930 96 96 PRO CG C 24.358 0.300 1 931 97 97 PHE H H 9.228 0.030 1 932 97 97 PHE HA H 4.520 0.030 1 933 97 97 PHE HB2 H 2.848 0.030 2 934 97 97 PHE HB3 H 2.604 0.030 2 935 97 97 PHE HD1 H 7.104 0.030 1 936 97 97 PHE HD2 H 7.104 0.030 1 937 97 97 PHE HE1 H 6.987 0.030 1 938 97 97 PHE HE2 H 6.987 0.030 1 939 97 97 PHE HZ H 7.122 0.030 1 940 97 97 PHE C C 175.394 0.300 1 941 97 97 PHE CA C 56.788 0.300 1 942 97 97 PHE CB C 40.261 0.300 1 943 97 97 PHE CD1 C 132.361 0.300 1 944 97 97 PHE CD2 C 132.361 0.300 1 945 97 97 PHE CE1 C 130.324 0.300 1 946 97 97 PHE CE2 C 130.324 0.300 1 947 97 97 PHE CZ C 129.546 0.300 1 948 97 97 PHE N N 122.227 0.300 1 949 98 98 THR H H 8.870 0.030 1 950 98 98 THR HA H 4.908 0.030 1 951 98 98 THR HB H 3.918 0.030 1 952 98 98 THR HG2 H 1.087 0.030 1 953 98 98 THR C C 174.368 0.300 1 954 98 98 THR CA C 63.200 0.300 1 955 98 98 THR CB C 69.334 0.300 1 956 98 98 THR CG2 C 21.634 0.300 1 957 98 98 THR N N 120.161 0.300 1 958 99 99 VAL H H 9.305 0.030 1 959 99 99 VAL HA H 4.258 0.030 1 960 99 99 VAL HB H 1.767 0.030 1 961 99 99 VAL HG1 H 0.762 0.030 1 962 99 99 VAL HG2 H 0.812 0.030 1 963 99 99 VAL C C 173.922 0.300 1 964 99 99 VAL CA C 61.351 0.300 1 965 99 99 VAL CB C 36.807 0.300 1 966 99 99 VAL CG1 C 21.247 0.300 2 967 99 99 VAL CG2 C 19.820 0.300 2 968 99 99 VAL N N 131.592 0.300 1 969 100 100 MET H H 8.380 0.030 1 970 100 100 MET HA H 5.162 0.030 1 971 100 100 MET HB2 H 2.142 0.030 2 972 100 100 MET HB3 H 2.069 0.030 2 973 100 100 MET HE H 2.040 0.030 1 974 100 100 MET HG2 H 2.386 0.030 2 975 100 100 MET HG3 H 2.530 0.030 2 976 100 100 MET C C 174.589 0.300 1 977 100 100 MET CA C 53.923 0.300 1 978 100 100 MET CB C 33.403 0.300 1 979 100 100 MET CE C 16.812 0.300 1 980 100 100 MET CG C 32.138 0.300 1 981 100 100 MET N N 125.535 0.300 1 982 101 101 ALA H H 9.603 0.030 1 983 101 101 ALA HA H 5.404 0.030 1 984 101 101 ALA HB H 1.295 0.030 1 985 101 101 ALA C C 178.123 0.300 1 986 101 101 ALA CA C 50.174 0.300 1 987 101 101 ALA CB C 21.498 0.300 1 988 101 101 ALA N N 130.189 0.300 1 989 102 102 THR H H 9.013 0.030 1 990 102 102 THR HA H 4.732 0.030 1 991 102 102 THR HB H 4.180 0.030 1 992 102 102 THR HG2 H 1.137 0.030 1 993 102 102 THR C C 173.227 0.300 1 994 102 102 THR CA C 59.371 0.300 1 995 102 102 THR CB C 71.055 0.300 1 996 102 102 THR CG2 C 20.527 0.300 1 997 102 102 THR N N 116.946 0.300 1 998 103 103 ASP H H 8.696 0.030 1 999 103 103 ASP HA H 4.843 0.030 1 1000 103 103 ASP HB2 H 2.730 0.030 2 1001 103 103 ASP HB3 H 2.635 0.030 2 1002 103 103 ASP C C 177.146 0.300 1 1003 103 103 ASP CA C 54.242 0.300 1 1004 103 103 ASP CB C 41.314 0.300 1 1005 103 103 ASP N N 123.679 0.300 1 1006 104 104 GLY H H 8.472 0.030 1 1007 104 104 GLY HA2 H 3.986 0.030 2 1008 104 104 GLY HA3 H 3.897 0.030 2 1009 104 104 GLY C C 173.506 0.300 1 1010 104 104 GLY CA C 45.010 0.300 1 1011 104 104 GLY N N 109.503 0.300 1 1012 105 105 GLU H H 8.367 0.030 1 1013 105 105 GLU HA H 4.272 0.030 1 1014 105 105 GLU HB2 H 1.891 0.030 2 1015 105 105 GLU HB3 H 2.003 0.030 2 1016 105 105 GLU HG2 H 2.190 0.030 2 1017 105 105 GLU HG3 H 2.249 0.030 2 1018 105 105 GLU C C 176.727 0.300 1 1019 105 105 GLU CA C 56.187 0.300 1 1020 105 105 GLU CB C 30.508 0.300 1 1021 105 105 GLU CG C 36.263 0.300 1 1022 105 105 GLU N N 120.383 0.300 1 stop_ save_