data_10146 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the 21th filamin domain from human Filamin-B ; _BMRB_accession_number 10146 _BMRB_flat_file_name bmr10146.str _Entry_type new _Submission_date 2007-12-04 _Accession_date 2007-12-05 _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" 535 "13C chemical shifts" 397 "15N chemical shifts" 92 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-12-10 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the 21th 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 'Not known' _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-B $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 105 _Mol_residue_sequence ; GSSGSSGEGGAHKVRAGGPG LERGEAGVPAEFSIWTREAG AGGLSIAVEGPSKAEITFDD HKNGSCGVSYIAQEPGNYEV SIKFNDEHIPESPYLVPVIA PSDDA ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLU 9 GLY 10 GLY 11 ALA 12 HIS 13 LYS 14 VAL 15 ARG 16 ALA 17 GLY 18 GLY 19 PRO 20 GLY 21 LEU 22 GLU 23 ARG 24 GLY 25 GLU 26 ALA 27 GLY 28 VAL 29 PRO 30 ALA 31 GLU 32 PHE 33 SER 34 ILE 35 TRP 36 THR 37 ARG 38 GLU 39 ALA 40 GLY 41 ALA 42 GLY 43 GLY 44 LEU 45 SER 46 ILE 47 ALA 48 VAL 49 GLU 50 GLY 51 PRO 52 SER 53 LYS 54 ALA 55 GLU 56 ILE 57 THR 58 PHE 59 ASP 60 ASP 61 HIS 62 LYS 63 ASN 64 GLY 65 SER 66 CYS 67 GLY 68 VAL 69 SER 70 TYR 71 ILE 72 ALA 73 GLN 74 GLU 75 PRO 76 GLY 77 ASN 78 TYR 79 GLU 80 VAL 81 SER 82 ILE 83 LYS 84 PHE 85 ASN 86 ASP 87 GLU 88 HIS 89 ILE 90 PRO 91 GLU 92 SER 93 PRO 94 TYR 95 LEU 96 VAL 97 PRO 98 VAL 99 ILE 100 ALA 101 PRO 102 SER 103 ASP 104 ASP 105 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-11-11 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 2EE6 "Solution Structure Of The 21th Filamin Domain From Human Filamin-B" 100.00 105 100.00 100.00 5.96e-67 REF XP_006751735 "PREDICTED: filamin-B-like, partial [Leptonychotes weddellii]" 97.14 263 98.04 98.04 5.07e-63 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 P060508-07 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 1.15 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 topspin _Version 1.3 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20060524 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 0.9823 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 'Guentert, 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 II' _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-B _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 N N 110.767 0.300 1 2 7 7 GLY H H 8.421 0.030 1 3 7 7 GLY CA C 45.393 0.300 1 4 7 7 GLY HA2 H 4.003 0.030 1 5 7 7 GLY HA3 H 4.003 0.030 1 6 7 7 GLY C C 174.160 0.300 1 7 8 8 GLU N N 120.419 0.300 1 8 8 8 GLU H H 8.320 0.030 1 9 8 8 GLU CA C 56.499 0.300 1 10 8 8 GLU HA H 4.390 0.030 1 11 8 8 GLU CB C 30.615 0.300 1 12 8 8 GLU HB2 H 1.951 0.030 2 13 8 8 GLU HB3 H 2.123 0.030 2 14 8 8 GLU CG C 36.187 0.300 1 15 8 8 GLU HG2 H 2.280 0.030 1 16 8 8 GLU HG3 H 2.280 0.030 1 17 8 8 GLU C C 176.858 0.300 1 18 9 9 GLY N N 109.731 0.300 1 19 9 9 GLY H H 8.522 0.030 1 20 9 9 GLY CA C 45.110 0.300 1 21 9 9 GLY HA2 H 4.090 0.030 2 22 9 9 GLY HA3 H 3.931 0.030 2 23 9 9 GLY C C 173.933 0.300 1 24 10 10 GLY N N 107.139 0.300 1 25 10 10 GLY H H 8.393 0.030 1 26 10 10 GLY CA C 45.039 0.300 1 27 10 10 GLY HA2 H 3.868 0.030 2 28 10 10 GLY HA3 H 4.528 0.030 2 29 10 10 GLY C C 174.561 0.300 1 30 11 11 ALA N N 122.466 0.300 1 31 11 11 ALA H H 8.875 0.030 1 32 11 11 ALA CA C 55.391 0.300 1 33 11 11 ALA HA H 3.803 0.030 1 34 11 11 ALA CB C 19.583 0.300 1 35 11 11 ALA HB H 1.657 0.030 1 36 11 11 ALA C C 178.242 0.300 1 37 12 12 HIS N N 111.513 0.300 1 38 12 12 HIS H H 8.290 0.030 1 39 12 12 HIS CA C 57.847 0.300 1 40 12 12 HIS HA H 4.443 0.030 1 41 12 12 HIS CB C 29.321 0.300 1 42 12 12 HIS HB2 H 3.105 0.030 2 43 12 12 HIS HB3 H 3.247 0.030 2 44 12 12 HIS CD2 C 119.005 0.300 1 45 12 12 HIS HD2 H 7.020 0.030 1 46 12 12 HIS CE1 C 139.011 0.300 1 47 12 12 HIS HE1 H 7.887 0.030 1 48 12 12 HIS C C 176.189 0.300 1 49 13 13 LYS N N 118.111 0.300 1 50 13 13 LYS H H 7.558 0.030 1 51 13 13 LYS CA C 54.660 0.300 1 52 13 13 LYS HA H 4.202 0.030 1 53 13 13 LYS CB C 32.655 0.300 1 54 13 13 LYS HB2 H 1.662 0.030 2 55 13 13 LYS HB3 H 1.364 0.030 2 56 13 13 LYS CG C 24.191 0.300 1 57 13 13 LYS HG2 H 0.979 0.030 2 58 13 13 LYS HG3 H 0.779 0.030 2 59 13 13 LYS CD C 28.412 0.300 1 60 13 13 LYS HD2 H 1.437 0.030 2 61 13 13 LYS HD3 H 1.529 0.030 2 62 13 13 LYS CE C 42.058 0.300 1 63 13 13 LYS HE2 H 2.908 0.030 2 64 13 13 LYS HE3 H 2.940 0.030 2 65 13 13 LYS C C 176.721 0.300 1 66 14 14 VAL N N 123.625 0.300 1 67 14 14 VAL H H 7.499 0.030 1 68 14 14 VAL CA C 63.247 0.300 1 69 14 14 VAL HA H 3.907 0.030 1 70 14 14 VAL CB C 31.649 0.300 1 71 14 14 VAL HB H 2.072 0.030 1 72 14 14 VAL CG1 C 23.522 0.300 2 73 14 14 VAL HG1 H 0.844 0.030 1 74 14 14 VAL CG2 C 23.650 0.300 2 75 14 14 VAL HG2 H 0.307 0.030 1 76 15 15 ARG H H 8.106 0.030 1 77 15 15 ARG CA C 53.791 0.300 1 78 15 15 ARG HA H 5.021 0.030 1 79 15 15 ARG CB C 34.207 0.300 1 80 15 15 ARG HB2 H 2.059 0.030 1 81 15 15 ARG HB3 H 2.059 0.030 1 82 15 15 ARG CG C 27.323 0.300 1 83 15 15 ARG HG2 H 1.651 0.030 2 84 15 15 ARG HG3 H 1.722 0.030 2 85 15 15 ARG CD C 42.775 0.300 1 86 15 15 ARG HD2 H 3.246 0.030 2 87 15 15 ARG HD3 H 3.210 0.030 2 88 16 16 ALA N N 123.795 0.300 1 89 16 16 ALA H H 8.875 0.030 1 90 16 16 ALA CA C 51.092 0.300 1 91 16 16 ALA HA H 5.569 0.030 1 92 16 16 ALA CB C 23.845 0.300 1 93 16 16 ALA HB H 1.345 0.030 1 94 17 17 GLY N N 106.516 0.300 1 95 17 17 GLY H H 8.616 0.030 1 96 17 17 GLY CA C 46.205 0.300 1 97 17 17 GLY HA2 H 4.289 0.030 2 98 17 17 GLY HA3 H 4.226 0.030 2 99 18 18 GLY N N 111.804 0.300 1 100 18 18 GLY H H 8.816 0.030 1 101 18 18 GLY CA C 44.595 0.300 1 102 18 18 GLY HA2 H 4.105 0.030 1 103 18 18 GLY HA3 H 4.105 0.030 1 104 19 19 PRO CA C 65.526 0.300 1 105 19 19 PRO HA H 4.335 0.030 1 106 19 19 PRO CB C 31.790 0.300 1 107 19 19 PRO HB2 H 2.247 0.030 2 108 19 19 PRO HB3 H 2.415 0.030 2 109 19 19 PRO CG C 27.459 0.300 1 110 19 19 PRO HG2 H 2.004 0.030 1 111 19 19 PRO HG3 H 2.004 0.030 1 112 19 19 PRO CD C 49.667 0.300 1 113 19 19 PRO HD2 H 3.597 0.030 1 114 19 19 PRO HD3 H 3.597 0.030 1 115 19 19 PRO C C 179.208 0.300 1 116 20 20 GLY N N 103.234 0.300 1 117 20 20 GLY H H 9.282 0.030 1 118 20 20 GLY CA C 46.361 0.300 1 119 20 20 GLY HA2 H 3.214 0.030 2 120 20 20 GLY HA3 H 4.184 0.030 2 121 20 20 GLY C C 172.711 0.300 1 122 21 21 LEU N N 116.307 0.300 1 123 21 21 LEU H H 7.559 0.030 1 124 21 21 LEU CA C 53.980 0.300 1 125 21 21 LEU HA H 4.166 0.030 1 126 21 21 LEU CB C 40.135 0.300 1 127 21 21 LEU HB2 H 1.300 0.030 2 128 21 21 LEU HB3 H 1.055 0.030 2 129 21 21 LEU CG C 25.879 0.300 1 130 21 21 LEU HG H 0.303 0.030 1 131 21 21 LEU CD1 C 23.932 0.300 2 132 21 21 LEU HD1 H -0.180 0.030 1 133 21 21 LEU CD2 C 19.847 0.300 2 134 21 21 LEU HD2 H -0.864 0.030 1 135 21 21 LEU C C 175.859 0.300 1 136 22 22 GLU N N 119.926 0.300 1 137 22 22 GLU H H 7.927 0.030 1 138 22 22 GLU CA C 57.490 0.300 1 139 22 22 GLU HA H 4.511 0.030 1 140 22 22 GLU CB C 32.057 0.300 1 141 22 22 GLU HB2 H 2.126 0.030 2 142 22 22 GLU HB3 H 2.213 0.030 2 143 22 22 GLU CG C 35.667 0.300 1 144 22 22 GLU HG2 H 2.382 0.030 2 145 22 22 GLU HG3 H 2.206 0.030 2 146 22 22 GLU C C 175.521 0.300 1 147 23 23 ARG N N 116.789 0.300 1 148 23 23 ARG H H 8.340 0.030 1 149 23 23 ARG CA C 56.464 0.300 1 150 23 23 ARG HA H 4.688 0.030 1 151 23 23 ARG CB C 32.571 0.300 1 152 23 23 ARG HB2 H 1.973 0.030 1 153 23 23 ARG HB3 H 1.973 0.030 1 154 23 23 ARG CG C 26.544 0.300 1 155 23 23 ARG HG2 H 1.631 0.030 2 156 23 23 ARG HG3 H 1.679 0.030 2 157 23 23 ARG CD C 43.603 0.300 1 158 23 23 ARG HD2 H 3.204 0.030 1 159 23 23 ARG HD3 H 3.204 0.030 1 160 23 23 ARG NE N 84.505 0.300 1 161 23 23 ARG HE H 7.251 0.030 1 162 23 23 ARG C C 173.992 0.300 1 163 24 24 GLY N N 108.837 0.300 1 164 24 24 GLY H H 8.736 0.030 1 165 24 24 GLY CA C 43.943 0.300 1 166 24 24 GLY HA2 H 3.510 0.030 2 167 24 24 GLY HA3 H 4.679 0.030 2 168 24 24 GLY C C 171.930 0.300 1 169 25 25 GLU N N 122.126 0.300 1 170 25 25 GLU H H 9.429 0.030 1 171 25 25 GLU CA C 54.209 0.300 1 172 25 25 GLU HA H 5.049 0.030 1 173 25 25 GLU CB C 32.945 0.300 1 174 25 25 GLU HB2 H 1.703 0.030 2 175 25 25 GLU HB3 H 1.773 0.030 2 176 25 25 GLU CG C 36.708 0.300 1 177 25 25 GLU HG2 H 2.093 0.030 1 178 25 25 GLU HG3 H 2.093 0.030 1 179 25 25 GLU C C 175.853 0.300 1 180 26 26 ALA N N 128.654 0.300 1 181 26 26 ALA H H 8.518 0.030 1 182 26 26 ALA CA C 53.187 0.300 1 183 26 26 ALA HA H 3.855 0.030 1 184 26 26 ALA CB C 17.420 0.300 1 185 26 26 ALA HB H 1.044 0.030 1 186 26 26 ALA C C 177.837 0.300 1 187 27 27 GLY N N 108.210 0.300 1 188 27 27 GLY H H 8.583 0.030 1 189 27 27 GLY CA C 45.619 0.300 1 190 27 27 GLY HA2 H 3.364 0.030 2 191 27 27 GLY HA3 H 4.158 0.030 2 192 27 27 GLY C C 173.084 0.300 1 193 28 28 VAL N N 122.974 0.300 1 194 28 28 VAL H H 7.878 0.030 1 195 28 28 VAL CA C 59.182 0.300 1 196 28 28 VAL HA H 4.510 0.030 1 197 28 28 VAL CB C 34.549 0.300 1 198 28 28 VAL HB H 2.027 0.030 1 199 28 28 VAL CG1 C 20.430 0.300 2 200 28 28 VAL HG1 H 0.957 0.030 1 201 28 28 VAL CG2 C 20.793 0.300 2 202 28 28 VAL HG2 H 0.777 0.030 1 203 28 28 VAL C C 174.171 0.300 1 204 29 29 PRO CA C 64.354 0.300 1 205 29 29 PRO HA H 4.064 0.030 1 206 29 29 PRO CB C 31.464 0.300 1 207 29 29 PRO HB2 H 1.986 0.030 2 208 29 29 PRO HB3 H 1.715 0.030 2 209 29 29 PRO CG C 27.731 0.300 1 210 29 29 PRO HG2 H 1.773 0.030 2 211 29 29 PRO HG3 H 2.041 0.030 2 212 29 29 PRO CD C 51.104 0.300 1 213 29 29 PRO HD2 H 3.601 0.030 2 214 29 29 PRO HD3 H 3.788 0.030 2 215 29 29 PRO C C 174.718 0.300 1 216 30 30 ALA N N 131.821 0.300 1 217 30 30 ALA H H 8.990 0.030 1 218 30 30 ALA CA C 50.482 0.300 1 219 30 30 ALA HA H 4.558 0.030 1 220 30 30 ALA CB C 18.793 0.300 1 221 30 30 ALA HB H 0.613 0.030 1 222 30 30 ALA C C 176.319 0.300 1 223 31 31 GLU N N 119.523 0.300 1 224 31 31 GLU H H 8.273 0.030 1 225 31 31 GLU CA C 55.261 0.300 1 226 31 31 GLU HA H 5.290 0.030 1 227 31 31 GLU CB C 33.484 0.300 1 228 31 31 GLU HB2 H 1.981 0.030 1 229 31 31 GLU HB3 H 1.981 0.030 1 230 31 31 GLU CG C 36.582 0.300 1 231 31 31 GLU HG2 H 2.052 0.030 1 232 31 31 GLU HG3 H 2.052 0.030 1 233 31 31 GLU C C 176.617 0.300 1 234 32 32 PHE N N 115.139 0.300 1 235 32 32 PHE H H 8.905 0.030 1 236 32 32 PHE CA C 57.490 0.300 1 237 32 32 PHE HA H 5.031 0.030 1 238 32 32 PHE CB C 39.989 0.300 1 239 32 32 PHE HB2 H 2.835 0.030 1 240 32 32 PHE HB3 H 2.835 0.030 1 241 32 32 PHE CD1 C 132.532 0.300 1 242 32 32 PHE HD1 H 6.710 0.030 1 243 32 32 PHE CD2 C 132.532 0.300 1 244 32 32 PHE HD2 H 6.710 0.030 1 245 32 32 PHE CE1 C 130.495 0.300 1 246 32 32 PHE HE1 H 6.962 0.030 1 247 32 32 PHE CE2 C 130.495 0.300 1 248 32 32 PHE HE2 H 6.962 0.030 1 249 32 32 PHE CZ C 128.447 0.300 1 250 32 32 PHE HZ H 6.751 0.030 1 251 32 32 PHE C C 172.714 0.300 1 252 33 33 SER CA C 57.324 0.300 1 253 33 33 SER HA H 5.404 0.030 1 254 33 33 SER CB C 66.623 0.300 1 255 33 33 SER HB2 H 3.396 0.030 1 256 33 33 SER HB3 H 3.396 0.030 1 257 34 34 ILE N N 127.688 0.300 1 258 34 34 ILE H H 9.577 0.030 1 259 34 34 ILE CA C 60.614 0.300 1 260 34 34 ILE HA H 4.668 0.030 1 261 34 34 ILE CB C 41.681 0.300 1 262 34 34 ILE HB H 1.483 0.030 1 263 34 34 ILE CG1 C 27.887 0.300 1 264 34 34 ILE HG12 H 1.035 0.030 2 265 34 34 ILE HG13 H 1.635 0.030 2 266 34 34 ILE CG2 C 19.269 0.300 1 267 34 34 ILE HG2 H 0.888 0.030 1 268 34 34 ILE CD1 C 17.213 0.300 1 269 34 34 ILE HD1 H 0.967 0.030 1 270 35 35 TRP CA C 58.440 0.300 1 271 35 35 TRP HA H 5.262 0.030 1 272 35 35 TRP CB C 30.511 0.300 1 273 35 35 TRP HB2 H 3.178 0.030 2 274 35 35 TRP HB3 H 3.459 0.030 2 275 35 35 TRP CD1 C 127.133 0.300 1 276 35 35 TRP HD1 H 7.227 0.030 1 277 35 35 TRP NE1 N 129.625 0.300 1 278 35 35 TRP HE1 H 10.399 0.030 1 279 35 35 TRP CE3 C 120.691 0.300 1 280 35 35 TRP HE3 H 7.436 0.030 1 281 35 35 TRP CZ2 C 114.478 0.300 1 282 35 35 TRP HZ2 H 7.529 0.030 1 283 35 35 TRP CZ3 C 121.439 0.300 1 284 35 35 TRP HZ3 H 6.861 0.030 1 285 35 35 TRP CH2 C 124.455 0.300 1 286 35 35 TRP HH2 H 7.183 0.030 1 287 36 36 THR N N 114.021 0.300 1 288 36 36 THR H H 8.680 0.030 1 289 36 36 THR CA C 61.459 0.300 1 290 36 36 THR HA H 4.364 0.030 1 291 36 36 THR CB C 69.197 0.300 1 292 36 36 THR HB H 4.431 0.030 1 293 36 36 THR CG2 C 22.259 0.300 1 294 36 36 THR HG2 H 1.083 0.030 1 295 37 37 ARG CA C 56.501 0.300 1 296 37 37 ARG HA H 4.207 0.030 1 297 37 37 ARG CB C 30.884 0.300 1 298 37 37 ARG HB2 H 1.824 0.030 2 299 37 37 ARG HB3 H 1.744 0.030 2 300 37 37 ARG CG C 27.077 0.300 1 301 37 37 ARG HG2 H 1.595 0.030 1 302 37 37 ARG HG3 H 1.595 0.030 1 303 37 37 ARG CD C 43.431 0.300 1 304 37 37 ARG HD2 H 3.179 0.030 1 305 37 37 ARG HD3 H 3.179 0.030 1 306 37 37 ARG C C 173.005 0.300 1 307 38 38 GLU H H 8.371 0.030 1 308 38 38 GLU CA C 56.895 0.300 1 309 38 38 GLU HA H 4.270 0.030 1 310 38 38 GLU CB C 30.001 0.300 1 311 38 38 GLU HB2 H 1.867 0.030 2 312 38 38 GLU HB3 H 2.190 0.030 2 313 38 38 GLU CG C 37.234 0.300 1 314 38 38 GLU HG2 H 2.282 0.030 1 315 38 38 GLU HG3 H 2.282 0.030 1 316 39 39 ALA N N 121.133 0.300 1 317 39 39 ALA H H 7.665 0.030 1 318 39 39 ALA CA C 52.963 0.300 1 319 39 39 ALA HA H 3.964 0.030 1 320 39 39 ALA CB C 21.097 0.300 1 321 39 39 ALA HB H 0.690 0.030 1 322 39 39 ALA C C 177.871 0.300 1 323 40 40 GLY N N 105.600 0.300 1 324 40 40 GLY H H 7.654 0.030 1 325 40 40 GLY CA C 44.261 0.300 1 326 40 40 GLY HA2 H 3.766 0.030 2 327 40 40 GLY HA3 H 4.196 0.030 2 328 40 40 GLY C C 172.824 0.300 1 329 41 41 ALA N N 122.720 0.300 1 330 41 41 ALA H H 8.364 0.030 1 331 41 41 ALA CA C 52.502 0.300 1 332 41 41 ALA HA H 4.396 0.030 1 333 41 41 ALA CB C 19.295 0.300 1 334 41 41 ALA HB H 1.371 0.030 1 335 41 41 ALA C C 178.393 0.300 1 336 42 42 GLY N N 109.713 0.300 1 337 42 42 GLY H H 8.194 0.030 1 338 42 42 GLY CA C 45.853 0.300 1 339 42 42 GLY HA2 H 3.616 0.030 2 340 42 42 GLY HA3 H 3.761 0.030 2 341 42 42 GLY C C 172.178 0.300 1 342 43 43 GLY N N 105.505 0.300 1 343 43 43 GLY H H 7.422 0.030 1 344 43 43 GLY CA C 44.382 0.300 1 345 43 43 GLY HA2 H 3.420 0.030 2 346 43 43 GLY HA3 H 4.295 0.030 2 347 43 43 GLY C C 172.885 0.300 1 348 44 44 LEU N N 125.007 0.300 1 349 44 44 LEU H H 8.525 0.030 1 350 44 44 LEU CA C 53.589 0.300 1 351 44 44 LEU HA H 5.357 0.030 1 352 44 44 LEU CB C 45.602 0.300 1 353 44 44 LEU HB2 H 1.364 0.030 2 354 44 44 LEU HB3 H 1.708 0.030 2 355 44 44 LEU CG C 27.365 0.300 1 356 44 44 LEU HG H 1.723 0.030 1 357 44 44 LEU CD1 C 26.026 0.300 2 358 44 44 LEU HD1 H 1.006 0.030 1 359 44 44 LEU CD2 C 25.257 0.300 2 360 44 44 LEU HD2 H 1.004 0.030 1 361 44 44 LEU C C 177.034 0.300 1 362 45 45 SER N N 117.626 0.300 1 363 45 45 SER H H 9.010 0.030 1 364 45 45 SER CA C 57.065 0.300 1 365 45 45 SER HA H 4.660 0.030 1 366 45 45 SER CB C 65.309 0.300 1 367 45 45 SER HB2 H 3.621 0.030 1 368 45 45 SER HB3 H 3.621 0.030 1 369 45 45 SER C C 172.724 0.300 1 370 46 46 ILE N N 125.604 0.300 1 371 46 46 ILE H H 8.584 0.030 1 372 46 46 ILE CA C 59.369 0.300 1 373 46 46 ILE HA H 5.182 0.030 1 374 46 46 ILE CB C 40.879 0.300 1 375 46 46 ILE HB H 1.740 0.030 1 376 46 46 ILE CG1 C 29.081 0.300 1 377 46 46 ILE HG12 H 1.459 0.030 2 378 46 46 ILE HG13 H 1.247 0.030 2 379 46 46 ILE CG2 C 18.504 0.300 1 380 46 46 ILE HG2 H 0.897 0.030 1 381 46 46 ILE CD1 C 15.343 0.300 1 382 46 46 ILE HD1 H 0.819 0.030 1 383 46 46 ILE C C 174.318 0.300 1 384 47 47 ALA N N 128.948 0.300 1 385 47 47 ALA H H 8.762 0.030 1 386 47 47 ALA CA C 51.123 0.300 1 387 47 47 ALA HA H 4.724 0.030 1 388 47 47 ALA CB C 22.575 0.300 1 389 47 47 ALA HB H 1.379 0.030 1 390 47 47 ALA C C 175.131 0.300 1 391 48 48 VAL N N 121.512 0.300 1 392 48 48 VAL H H 8.640 0.030 1 393 48 48 VAL CA C 61.770 0.300 1 394 48 48 VAL HA H 4.749 0.030 1 395 48 48 VAL CB C 33.642 0.300 1 396 48 48 VAL HB H 1.696 0.030 1 397 48 48 VAL CG1 C 21.264 0.300 2 398 48 48 VAL HG1 H 0.405 0.030 1 399 48 48 VAL CG2 C 19.931 0.300 2 400 48 48 VAL HG2 H 0.412 0.030 1 401 48 48 VAL C C 174.870 0.300 1 402 49 49 GLU N N 126.757 0.300 1 403 49 49 GLU H H 8.898 0.030 1 404 49 49 GLU CA C 54.457 0.300 1 405 49 49 GLU HA H 5.003 0.030 1 406 49 49 GLU CB C 33.209 0.300 1 407 49 49 GLU HB2 H 1.906 0.030 2 408 49 49 GLU HB3 H 2.096 0.030 2 409 49 49 GLU CG C 35.970 0.300 1 410 49 49 GLU HG2 H 2.213 0.030 2 411 49 49 GLU HG3 H 2.263 0.030 2 412 49 49 GLU C C 175.282 0.300 1 413 50 50 GLY N N 112.668 0.300 1 414 50 50 GLY H H 8.563 0.030 1 415 50 50 GLY CA C 45.534 0.300 1 416 50 50 GLY HA2 H 3.481 0.030 2 417 50 50 GLY HA3 H 3.836 0.030 2 418 50 50 GLY C C 171.670 0.300 1 419 51 51 PRO CA C 64.371 0.300 1 420 51 51 PRO HA H 4.309 0.030 1 421 51 51 PRO CB C 32.183 0.300 1 422 51 51 PRO HB2 H 1.959 0.030 2 423 51 51 PRO HB3 H 2.263 0.030 2 424 51 51 PRO CG C 26.829 0.300 1 425 51 51 PRO HG2 H 1.888 0.030 2 426 51 51 PRO HG3 H 1.719 0.030 2 427 51 51 PRO CD C 49.461 0.300 1 428 51 51 PRO HD2 H 2.979 0.030 2 429 51 51 PRO HD3 H 2.080 0.030 2 430 51 51 PRO C C 175.938 0.300 1 431 52 52 SER N N 109.776 0.300 1 432 52 52 SER H H 7.281 0.030 1 433 52 52 SER CA C 56.747 0.300 1 434 52 52 SER HA H 4.688 0.030 1 435 52 52 SER CB C 65.901 0.300 1 436 52 52 SER HB2 H 3.888 0.030 2 437 52 52 SER HB3 H 3.994 0.030 2 438 52 52 SER C C 172.748 0.300 1 439 53 53 LYS N N 121.441 0.300 1 440 53 53 LYS H H 8.607 0.030 1 441 53 53 LYS CA C 56.641 0.300 1 442 53 53 LYS HA H 4.391 0.030 1 443 53 53 LYS CB C 32.323 0.300 1 444 53 53 LYS HB2 H 1.859 0.030 1 445 53 53 LYS HB3 H 1.859 0.030 1 446 53 53 LYS CG C 24.799 0.300 1 447 53 53 LYS HG2 H 1.432 0.030 2 448 53 53 LYS HG3 H 1.524 0.030 2 449 53 53 LYS CD C 29.212 0.300 1 450 53 53 LYS HD2 H 1.763 0.030 1 451 53 53 LYS HD3 H 1.763 0.030 1 452 53 53 LYS CE C 42.250 0.300 1 453 53 53 LYS HE2 H 3.058 0.030 1 454 53 53 LYS HE3 H 3.058 0.030 1 455 53 53 LYS C C 175.721 0.300 1 456 54 54 ALA N N 129.914 0.300 1 457 54 54 ALA H H 8.941 0.030 1 458 54 54 ALA CA C 50.924 0.300 1 459 54 54 ALA HA H 4.962 0.030 1 460 54 54 ALA CB C 20.004 0.300 1 461 54 54 ALA HB H 1.136 0.030 1 462 54 54 ALA C C 176.618 0.300 1 463 55 55 GLU N N 122.179 0.300 1 464 55 55 GLU H H 8.153 0.030 1 465 55 55 GLU CA C 55.689 0.300 1 466 55 55 GLU HA H 4.569 0.030 1 467 55 55 GLU CB C 31.003 0.300 1 468 55 55 GLU HB2 H 1.917 0.030 2 469 55 55 GLU HB3 H 2.024 0.030 2 470 55 55 GLU CG C 35.868 0.300 1 471 55 55 GLU HG2 H 2.214 0.030 2 472 55 55 GLU HG3 H 2.297 0.030 2 473 55 55 GLU C C 176.867 0.300 1 474 56 56 ILE N N 127.733 0.300 1 475 56 56 ILE H H 8.948 0.030 1 476 56 56 ILE CA C 61.345 0.300 1 477 56 56 ILE HA H 4.744 0.030 1 478 56 56 ILE CB C 40.978 0.300 1 479 56 56 ILE HB H 1.685 0.030 1 480 56 56 ILE CG1 C 27.932 0.300 1 481 56 56 ILE HG12 H 1.615 0.030 2 482 56 56 ILE HG13 H 0.727 0.030 2 483 56 56 ILE CG2 C 17.839 0.300 1 484 56 56 ILE HG2 H 0.711 0.030 1 485 56 56 ILE CD1 C 14.781 0.300 1 486 56 56 ILE HD1 H 0.869 0.030 1 487 56 56 ILE C C 175.675 0.300 1 488 57 57 THR N N 124.172 0.300 1 489 57 57 THR H H 9.410 0.030 1 490 57 57 THR CA C 61.999 0.300 1 491 57 57 THR HA H 4.504 0.030 1 492 57 57 THR CB C 70.660 0.300 1 493 57 57 THR HB H 4.027 0.030 1 494 57 57 THR CG2 C 21.193 0.300 1 495 57 57 THR HG2 H 1.119 0.030 1 496 57 57 THR C C 172.131 0.300 1 497 58 58 PHE N N 126.429 0.300 1 498 58 58 PHE H H 8.796 0.030 1 499 58 58 PHE CA C 56.680 0.300 1 500 58 58 PHE HA H 4.981 0.030 1 501 58 58 PHE CB C 42.400 0.300 1 502 58 58 PHE HB2 H 2.782 0.030 2 503 58 58 PHE HB3 H 2.972 0.030 2 504 58 58 PHE CD1 C 131.845 0.300 1 505 58 58 PHE HD1 H 7.059 0.030 1 506 58 58 PHE CD2 C 131.845 0.300 1 507 58 58 PHE HD2 H 7.059 0.030 1 508 58 58 PHE CE1 C 131.003 0.300 1 509 58 58 PHE HE1 H 7.173 0.030 1 510 58 58 PHE CE2 C 131.003 0.300 1 511 58 58 PHE HE2 H 7.173 0.030 1 512 58 58 PHE CZ C 129.888 0.300 1 513 58 58 PHE HZ H 7.324 0.030 1 514 58 58 PHE C C 173.719 0.300 1 515 59 59 ASP N N 126.210 0.300 1 516 59 59 ASP H H 8.707 0.030 1 517 59 59 ASP CA C 52.784 0.300 1 518 59 59 ASP HA H 4.677 0.030 1 519 59 59 ASP CB C 42.738 0.300 1 520 59 59 ASP HB2 H 2.217 0.030 2 521 59 59 ASP HB3 H 2.376 0.030 2 522 59 59 ASP C C 173.710 0.300 1 523 60 60 ASP N N 123.675 0.300 1 524 60 60 ASP H H 8.490 0.030 1 525 60 60 ASP CA C 53.871 0.300 1 526 60 60 ASP HA H 4.447 0.030 1 527 60 60 ASP CB C 41.108 0.300 1 528 60 60 ASP HB2 H 2.823 0.030 2 529 60 60 ASP HB3 H 2.553 0.030 2 530 60 60 ASP C C 176.691 0.300 1 531 61 61 HIS N N 124.385 0.300 1 532 61 61 HIS H H 8.122 0.030 1 533 61 61 HIS CA C 55.608 0.300 1 534 61 61 HIS HA H 4.769 0.030 1 535 61 61 HIS CB C 28.607 0.300 1 536 61 61 HIS HB2 H 3.131 0.030 2 537 61 61 HIS HB3 H 3.304 0.030 2 538 61 61 HIS CD2 C 119.782 0.300 1 539 61 61 HIS HD2 H 7.021 0.030 1 540 61 61 HIS CE1 C 138.349 0.300 1 541 61 61 HIS HE1 H 7.874 0.030 1 542 61 61 HIS C C 175.701 0.300 1 543 62 62 LYS N N 115.195 0.300 1 544 62 62 LYS H H 9.178 0.030 1 545 62 62 LYS CA C 57.585 0.300 1 546 62 62 LYS HA H 4.028 0.030 1 547 62 62 LYS CB C 29.373 0.300 1 548 62 62 LYS HB2 H 1.963 0.030 2 549 62 62 LYS HB3 H 2.082 0.030 2 550 62 62 LYS CG C 24.783 0.300 1 551 62 62 LYS HG2 H 1.285 0.030 2 552 62 62 LYS HG3 H 1.351 0.030 2 553 62 62 LYS CD C 28.754 0.300 1 554 62 62 LYS HD2 H 1.686 0.030 2 555 62 62 LYS HD3 H 1.613 0.030 2 556 62 62 LYS CE C 42.240 0.300 1 557 62 62 LYS HE2 H 2.997 0.030 1 558 62 62 LYS HE3 H 2.997 0.030 1 559 63 63 ASN N N 116.167 0.300 1 560 63 63 ASN H H 7.900 0.030 1 561 63 63 ASN CA C 52.056 0.300 1 562 63 63 ASN HA H 4.835 0.030 1 563 63 63 ASN CB C 38.468 0.300 1 564 63 63 ASN HB2 H 2.744 0.030 2 565 63 63 ASN HB3 H 3.214 0.030 2 566 63 63 ASN ND2 N 110.992 0.300 1 567 63 63 ASN HD21 H 7.655 0.030 2 568 63 63 ASN HD22 H 6.998 0.030 2 569 63 63 ASN C C 176.634 0.300 1 570 64 64 GLY N N 108.877 0.300 1 571 64 64 GLY H H 8.718 0.030 1 572 64 64 GLY CA C 45.534 0.300 1 573 64 64 GLY HA2 H 3.619 0.030 2 574 64 64 GLY HA3 H 4.247 0.030 2 575 65 65 SER N N 115.229 0.300 1 576 65 65 SER H H 7.962 0.030 1 577 65 65 SER CA C 57.108 0.300 1 578 65 65 SER HA H 5.531 0.030 1 579 65 65 SER CB C 67.290 0.300 1 580 65 65 SER HB2 H 3.920 0.030 2 581 65 65 SER HB3 H 3.638 0.030 2 582 66 66 CYS N N 118.007 0.300 1 583 66 66 CYS H H 8.807 0.030 1 584 66 66 CYS CA C 56.476 0.300 1 585 66 66 CYS HA H 4.672 0.030 1 586 66 66 CYS CB C 31.077 0.300 1 587 66 66 CYS HB2 H 2.352 0.030 2 588 66 66 CYS HB3 H 2.472 0.030 2 589 67 67 GLY N N 112.448 0.300 1 590 67 67 GLY H H 8.679 0.030 1 591 67 67 GLY CA C 45.004 0.300 1 592 67 67 GLY HA2 H 3.629 0.030 2 593 67 67 GLY HA3 H 4.645 0.030 2 594 67 67 GLY C C 171.754 0.300 1 595 68 68 VAL N N 123.840 0.300 1 596 68 68 VAL H H 8.486 0.030 1 597 68 68 VAL CA C 60.143 0.300 1 598 68 68 VAL HA H 4.579 0.030 1 599 68 68 VAL CB C 33.946 0.300 1 600 68 68 VAL HB H -0.045 0.030 1 601 68 68 VAL CG1 C 22.945 0.300 2 602 68 68 VAL HG1 H 0.577 0.030 1 603 68 68 VAL CG2 C 22.320 0.300 2 604 68 68 VAL HG2 H 0.499 0.030 1 605 68 68 VAL C C 174.396 0.300 1 606 69 69 SER N N 119.414 0.300 1 607 69 69 SER H H 8.450 0.030 1 608 69 69 SER CA C 56.169 0.300 1 609 69 69 SER HA H 5.442 0.030 1 610 69 69 SER CB C 65.640 0.300 1 611 69 69 SER HB2 H 3.442 0.030 2 612 69 69 SER HB3 H 3.585 0.030 2 613 69 69 SER C C 173.189 0.300 1 614 70 70 TYR N N 119.504 0.300 1 615 70 70 TYR H H 8.771 0.030 1 616 70 70 TYR CA C 54.962 0.300 1 617 70 70 TYR HA H 5.922 0.030 1 618 70 70 TYR CB C 42.710 0.300 1 619 70 70 TYR HB2 H 2.611 0.030 1 620 70 70 TYR HB3 H 2.611 0.030 1 621 70 70 TYR CD1 C 132.598 0.300 1 622 70 70 TYR HD1 H 6.517 0.030 1 623 70 70 TYR CD2 C 132.598 0.300 1 624 70 70 TYR HD2 H 6.517 0.030 1 625 70 70 TYR CE1 C 117.011 0.300 1 626 70 70 TYR HE1 H 6.216 0.030 1 627 70 70 TYR CE2 C 117.011 0.300 1 628 70 70 TYR HE2 H 6.216 0.030 1 629 70 70 TYR C C 173.056 0.300 1 630 71 71 ILE N N 117.727 0.300 1 631 71 71 ILE H H 8.196 0.030 1 632 71 71 ILE CA C 60.132 0.300 1 633 71 71 ILE HA H 4.161 0.030 1 634 71 71 ILE CB C 40.790 0.300 1 635 71 71 ILE HB H 1.553 0.030 1 636 71 71 ILE CG1 C 27.636 0.300 1 637 71 71 ILE HG12 H 1.471 0.030 2 638 71 71 ILE HG13 H 0.401 0.030 2 639 71 71 ILE CG2 C 17.738 0.300 1 640 71 71 ILE HG2 H 0.570 0.030 1 641 71 71 ILE CD1 C 13.650 0.300 1 642 71 71 ILE HD1 H 0.720 0.030 1 643 71 71 ILE C C 175.114 0.300 1 644 72 72 ALA N N 133.145 0.300 1 645 72 72 ALA H H 9.466 0.030 1 646 72 72 ALA CA C 50.261 0.300 1 647 72 72 ALA HA H 4.567 0.030 1 648 72 72 ALA CB C 19.699 0.300 1 649 72 72 ALA HB H 0.767 0.030 1 650 72 72 ALA C C 177.170 0.300 1 651 73 73 GLN N N 120.464 0.300 1 652 73 73 GLN H H 8.649 0.030 1 653 73 73 GLN CA C 57.614 0.300 1 654 73 73 GLN HA H 4.083 0.030 1 655 73 73 GLN CB C 29.667 0.300 1 656 73 73 GLN HB2 H 1.990 0.030 2 657 73 73 GLN HB3 H 2.220 0.030 2 658 73 73 GLN CG C 33.339 0.300 1 659 73 73 GLN HG2 H 2.418 0.030 2 660 73 73 GLN HG3 H 2.489 0.030 2 661 73 73 GLN NE2 N 111.974 0.300 1 662 73 73 GLN HE21 H 7.561 0.030 2 663 73 73 GLN HE22 H 6.908 0.030 2 664 73 73 GLN C C 175.643 0.300 1 665 74 74 GLU N N 114.557 0.300 1 666 74 74 GLU H H 7.102 0.030 1 667 74 74 GLU CA C 52.242 0.300 1 668 74 74 GLU HA H 4.988 0.030 1 669 74 74 GLU CB C 31.732 0.300 1 670 74 74 GLU HB2 H 2.003 0.030 2 671 74 74 GLU HB3 H 1.657 0.030 2 672 74 74 GLU CG C 35.024 0.300 1 673 74 74 GLU HG2 H 2.224 0.030 2 674 74 74 GLU HG3 H 2.327 0.030 2 675 74 74 GLU C C 174.462 0.300 1 676 75 75 PRO CA C 63.007 0.300 1 677 75 75 PRO HA H 4.335 0.030 1 678 75 75 PRO CB C 32.866 0.300 1 679 75 75 PRO HB2 H 2.114 0.030 2 680 75 75 PRO HB3 H 2.237 0.030 2 681 75 75 PRO CG C 27.587 0.300 1 682 75 75 PRO HG2 H 1.828 0.030 2 683 75 75 PRO HG3 H 2.201 0.030 2 684 75 75 PRO CD C 50.870 0.300 1 685 75 75 PRO HD2 H 3.771 0.030 2 686 75 75 PRO HD3 H 3.851 0.030 2 687 75 75 PRO C C 174.572 0.300 1 688 76 76 GLY N N 107.234 0.300 1 689 76 76 GLY H H 9.012 0.030 1 690 76 76 GLY CA C 44.615 0.300 1 691 76 76 GLY HA2 H 3.850 0.030 2 692 76 76 GLY HA3 H 4.201 0.030 2 693 76 76 GLY C C 171.133 0.300 1 694 77 77 ASN N N 119.292 0.300 1 695 77 77 ASN H H 8.549 0.030 1 696 77 77 ASN CA C 52.364 0.300 1 697 77 77 ASN HA H 5.369 0.030 1 698 77 77 ASN CB C 39.176 0.300 1 699 77 77 ASN HB2 H 2.364 0.030 2 700 77 77 ASN HB3 H 2.632 0.030 2 701 77 77 ASN ND2 N 113.044 0.300 1 702 77 77 ASN HD21 H 7.624 0.030 2 703 77 77 ASN HD22 H 6.806 0.030 2 704 77 77 ASN C C 174.470 0.300 1 705 78 78 TYR N N 123.809 0.300 1 706 78 78 TYR H H 9.094 0.030 1 707 78 78 TYR CA C 56.818 0.300 1 708 78 78 TYR HA H 4.859 0.030 1 709 78 78 TYR CB C 39.860 0.300 1 710 78 78 TYR HB2 H 2.834 0.030 2 711 78 78 TYR HB3 H 2.335 0.030 2 712 78 78 TYR CD1 C 133.764 0.300 1 713 78 78 TYR HD1 H 6.972 0.030 1 714 78 78 TYR CD2 C 133.764 0.300 1 715 78 78 TYR HD2 H 6.972 0.030 1 716 78 78 TYR CE1 C 116.669 0.300 1 717 78 78 TYR HE1 H 6.847 0.030 1 718 78 78 TYR CE2 C 116.669 0.300 1 719 78 78 TYR HE2 H 6.847 0.030 1 720 78 78 TYR C C 174.184 0.300 1 721 79 79 GLU N N 122.250 0.300 1 722 79 79 GLU H H 9.259 0.030 1 723 79 79 GLU CA C 54.692 0.300 1 724 79 79 GLU HA H 5.313 0.030 1 725 79 79 GLU CB C 32.159 0.300 1 726 79 79 GLU HB2 H 1.857 0.030 2 727 79 79 GLU HB3 H 1.921 0.030 2 728 79 79 GLU CG C 37.735 0.300 1 729 79 79 GLU HG2 H 2.114 0.030 2 730 79 79 GLU HG3 H 1.929 0.030 2 731 79 79 GLU C C 176.631 0.300 1 732 80 80 VAL N N 131.418 0.300 1 733 80 80 VAL H H 9.761 0.030 1 734 80 80 VAL CA C 61.522 0.300 1 735 80 80 VAL HA H 4.801 0.030 1 736 80 80 VAL CB C 32.818 0.300 1 737 80 80 VAL HB H 1.981 0.030 1 738 80 80 VAL CG1 C 20.289 0.300 2 739 80 80 VAL HG1 H 0.561 0.030 1 740 80 80 VAL CG2 C 20.256 0.300 2 741 80 80 VAL HG2 H 0.638 0.030 1 742 80 80 VAL C C 175.573 0.300 1 743 81 81 SER N N 123.238 0.300 1 744 81 81 SER H H 9.457 0.030 1 745 81 81 SER CA C 57.589 0.300 1 746 81 81 SER HA H 5.167 0.030 1 747 81 81 SER CB C 64.882 0.300 1 748 81 81 SER HB2 H 3.591 0.030 2 749 81 81 SER HB3 H 3.821 0.030 2 750 81 81 SER C C 173.514 0.300 1 751 82 82 ILE N N 126.261 0.300 1 752 82 82 ILE H H 9.642 0.030 1 753 82 82 ILE CA C 60.992 0.300 1 754 82 82 ILE HA H 4.667 0.030 1 755 82 82 ILE CB C 40.692 0.300 1 756 82 82 ILE HB H 1.813 0.030 1 757 82 82 ILE CG1 C 27.076 0.300 1 758 82 82 ILE HG12 H 1.650 0.030 2 759 82 82 ILE HG13 H 0.984 0.030 2 760 82 82 ILE CG2 C 18.678 0.300 1 761 82 82 ILE HG2 H 0.888 0.030 1 762 82 82 ILE CD1 C 15.984 0.300 1 763 82 82 ILE HD1 H 0.766 0.030 1 764 82 82 ILE C C 173.498 0.300 1 765 83 83 LYS N N 123.477 0.300 1 766 83 83 LYS H H 8.720 0.030 1 767 83 83 LYS CA C 53.730 0.300 1 768 83 83 LYS HA H 5.139 0.030 1 769 83 83 LYS CB C 36.351 0.300 1 770 83 83 LYS HB2 H 1.546 0.030 2 771 83 83 LYS HB3 H 0.995 0.030 2 772 83 83 LYS CG C 24.630 0.300 1 773 83 83 LYS HG2 H 0.187 0.030 2 774 83 83 LYS HG3 H 0.882 0.030 2 775 83 83 LYS CD C 29.440 0.300 1 776 83 83 LYS HD2 H 1.153 0.030 2 777 83 83 LYS HD3 H 0.938 0.030 2 778 83 83 LYS CE C 41.333 0.300 1 779 83 83 LYS HE2 H 1.936 0.030 2 780 83 83 LYS HE3 H 2.159 0.030 2 781 83 83 LYS C C 174.914 0.300 1 782 84 84 PHE N N 122.298 0.300 1 783 84 84 PHE H H 9.154 0.030 1 784 84 84 PHE CA C 56.057 0.300 1 785 84 84 PHE HA H 5.238 0.030 1 786 84 84 PHE CB C 43.136 0.300 1 787 84 84 PHE HB2 H 2.862 0.030 2 788 84 84 PHE HB3 H 2.496 0.030 2 789 84 84 PHE CD1 C 130.737 0.300 1 790 84 84 PHE HD1 H 6.813 0.030 1 791 84 84 PHE CD2 C 130.737 0.300 1 792 84 84 PHE HD2 H 6.813 0.030 1 793 84 84 PHE CE1 C 131.538 0.300 1 794 84 84 PHE HE1 H 7.103 0.030 1 795 84 84 PHE CE2 C 131.538 0.300 1 796 84 84 PHE HE2 H 7.103 0.030 1 797 84 84 PHE C C 175.864 0.300 1 798 85 85 ASN N N 127.936 0.300 1 799 85 85 ASN H H 9.040 0.030 1 800 85 85 ASN CA C 54.448 0.300 1 801 85 85 ASN HA H 4.206 0.030 1 802 85 85 ASN CB C 36.554 0.300 1 803 85 85 ASN HB2 H 2.996 0.030 2 804 85 85 ASN HB3 H 2.781 0.030 2 805 85 85 ASN ND2 N 112.589 0.300 1 806 85 85 ASN HD21 H 6.665 0.030 2 807 85 85 ASN HD22 H 7.802 0.030 2 808 85 85 ASN C C 174.620 0.300 1 809 86 86 ASP N N 108.763 0.300 1 810 86 86 ASP H H 8.828 0.030 1 811 86 86 ASP CA C 56.405 0.300 1 812 86 86 ASP HA H 3.946 0.030 1 813 86 86 ASP CB C 40.367 0.300 1 814 86 86 ASP HB2 H 2.691 0.030 2 815 86 86 ASP HB3 H 2.915 0.030 2 816 86 86 ASP C C 174.169 0.300 1 817 87 87 GLU N N 119.289 0.300 1 818 87 87 GLU H H 7.510 0.030 1 819 87 87 GLU CA C 54.483 0.300 1 820 87 87 GLU HA H 4.743 0.030 1 821 87 87 GLU CB C 32.763 0.300 1 822 87 87 GLU HB2 H 2.091 0.030 2 823 87 87 GLU HB3 H 1.970 0.030 2 824 87 87 GLU CG C 36.163 0.300 1 825 87 87 GLU HG2 H 2.277 0.030 2 826 87 87 GLU HG3 H 2.401 0.030 2 827 87 87 GLU C C 175.825 0.300 1 828 88 88 HIS N N 123.465 0.300 1 829 88 88 HIS H H 8.822 0.030 1 830 88 88 HIS CA C 59.117 0.300 1 831 88 88 HIS HA H 4.511 0.030 1 832 88 88 HIS CB C 32.254 0.300 1 833 88 88 HIS HB2 H 2.900 0.030 2 834 88 88 HIS HB3 H 3.267 0.030 2 835 88 88 HIS CD2 C 117.886 0.300 1 836 88 88 HIS HD2 H 7.147 0.030 1 837 88 88 HIS CE1 C 137.512 0.300 1 838 88 88 HIS HE1 H 7.631 0.030 1 839 88 88 HIS C C 177.352 0.300 1 840 89 89 ILE N N 117.945 0.300 1 841 89 89 ILE H H 8.131 0.030 1 842 89 89 ILE CA C 61.121 0.300 1 843 89 89 ILE HA H 4.519 0.030 1 844 89 89 ILE CB C 35.538 0.300 1 845 89 89 ILE HB H 2.354 0.030 1 846 89 89 ILE CG1 C 25.486 0.300 1 847 89 89 ILE HG12 H 1.519 0.030 1 848 89 89 ILE HG13 H 1.519 0.030 1 849 89 89 ILE CG2 C 17.355 0.300 1 850 89 89 ILE HG2 H 1.001 0.030 1 851 89 89 ILE CD1 C 16.134 0.300 1 852 89 89 ILE HD1 H 0.946 0.030 1 853 89 89 ILE C C 173.831 0.300 1 854 90 90 PRO CA C 66.545 0.300 1 855 90 90 PRO HA H 4.223 0.030 1 856 90 90 PRO CB C 31.693 0.300 1 857 90 90 PRO HB2 H 2.406 0.030 2 858 90 90 PRO HB3 H 1.960 0.030 2 859 90 90 PRO CG C 28.567 0.300 1 860 90 90 PRO HG2 H 2.284 0.030 2 861 90 90 PRO HG3 H 1.988 0.030 2 862 90 90 PRO CD C 50.705 0.300 1 863 90 90 PRO HD2 H 3.744 0.030 2 864 90 90 PRO HD3 H 4.255 0.030 2 865 90 90 PRO C C 177.046 0.300 1 866 91 91 GLU N N 113.835 0.300 1 867 91 91 GLU H H 8.223 0.030 1 868 91 91 GLU CA C 57.913 0.300 1 869 91 91 GLU HA H 3.733 0.030 1 870 91 91 GLU CB C 27.681 0.300 1 871 91 91 GLU HB2 H 2.317 0.030 2 872 91 91 GLU HB3 H 1.878 0.030 2 873 91 91 GLU CG C 37.318 0.300 1 874 91 91 GLU HG2 H 2.222 0.030 2 875 91 91 GLU HG3 H 2.144 0.030 2 876 91 91 GLU C C 173.469 0.300 1 877 92 92 SER N N 111.462 0.300 1 878 92 92 SER H H 7.489 0.030 1 879 92 92 SER CA C 54.873 0.300 1 880 92 92 SER HA H 4.427 0.030 1 881 92 92 SER CB C 63.317 0.300 1 882 92 92 SER HB2 H 4.442 0.030 2 883 92 92 SER HB3 H 3.763 0.030 2 884 92 92 SER C C 174.195 0.300 1 885 93 93 PRO CA C 62.333 0.300 1 886 93 93 PRO HA H 5.483 0.030 1 887 93 93 PRO CB C 34.386 0.300 1 888 93 93 PRO HB2 H 2.197 0.030 2 889 93 93 PRO HB3 H 1.683 0.030 2 890 93 93 PRO CG C 24.372 0.300 1 891 93 93 PRO HG2 H 1.732 0.030 1 892 93 93 PRO HG3 H 1.732 0.030 1 893 93 93 PRO CD C 49.800 0.300 1 894 93 93 PRO HD2 H 3.215 0.030 2 895 93 93 PRO HD3 H 2.218 0.030 2 896 93 93 PRO C C 176.059 0.300 1 897 94 94 TYR N N 122.179 0.300 1 898 94 94 TYR H H 9.372 0.030 1 899 94 94 TYR CA C 57.101 0.300 1 900 94 94 TYR HA H 4.531 0.030 1 901 94 94 TYR CB C 40.027 0.300 1 902 94 94 TYR HB2 H 2.797 0.030 1 903 94 94 TYR HB3 H 2.797 0.030 1 904 94 94 TYR CD1 C 133.674 0.300 1 905 94 94 TYR HD1 H 7.120 0.030 1 906 94 94 TYR CD2 C 133.674 0.300 1 907 94 94 TYR HD2 H 7.120 0.030 1 908 94 94 TYR CE1 C 118.063 0.300 1 909 94 94 TYR HE1 H 6.545 0.030 1 910 94 94 TYR CE2 C 118.063 0.300 1 911 94 94 TYR HE2 H 6.545 0.030 1 912 94 94 TYR C C 175.281 0.300 1 913 95 95 LEU N N 126.428 0.300 1 914 95 95 LEU H H 8.807 0.030 1 915 95 95 LEU CA C 54.200 0.300 1 916 95 95 LEU HA H 4.981 0.030 1 917 95 95 LEU CB C 41.894 0.300 1 918 95 95 LEU HB2 H 1.536 0.030 2 919 95 95 LEU HB3 H 1.799 0.030 2 920 95 95 LEU CG C 27.703 0.300 1 921 95 95 LEU HG H 1.408 0.030 1 922 95 95 LEU CD1 C 23.842 0.300 2 923 95 95 LEU HD1 H 0.795 0.030 1 924 95 95 LEU CD2 C 24.611 0.300 2 925 95 95 LEU HD2 H 0.824 0.030 1 926 95 95 LEU C C 176.295 0.300 1 927 96 96 VAL N N 130.944 0.300 1 928 96 96 VAL H H 9.629 0.030 1 929 96 96 VAL CA C 59.813 0.300 1 930 96 96 VAL HA H 4.469 0.030 1 931 96 96 VAL CB C 35.052 0.300 1 932 96 96 VAL HB H 1.965 0.030 1 933 96 96 VAL CG1 C 19.494 0.300 2 934 96 96 VAL HG1 H 0.564 0.030 1 935 96 96 VAL CG2 C 20.555 0.300 2 936 96 96 VAL HG2 H 0.720 0.030 1 937 96 96 VAL C C 173.734 0.300 1 938 97 97 PRO CA C 62.379 0.300 1 939 97 97 PRO HA H 5.016 0.030 1 940 97 97 PRO CB C 32.163 0.300 1 941 97 97 PRO HB2 H 1.959 0.030 2 942 97 97 PRO HB3 H 2.275 0.030 2 943 97 97 PRO CG C 27.429 0.300 1 944 97 97 PRO HG2 H 2.425 0.030 2 945 97 97 PRO HG3 H 2.096 0.030 2 946 97 97 PRO CD C 51.097 0.300 1 947 97 97 PRO HD2 H 3.833 0.030 2 948 97 97 PRO HD3 H 4.297 0.030 2 949 97 97 PRO C C 175.950 0.300 1 950 98 98 VAL N N 125.524 0.300 1 951 98 98 VAL H H 9.196 0.030 1 952 98 98 VAL CA C 61.345 0.300 1 953 98 98 VAL HA H 4.411 0.030 1 954 98 98 VAL CB C 32.037 0.300 1 955 98 98 VAL HB H 2.286 0.030 1 956 98 98 VAL CG1 C 20.999 0.300 2 957 98 98 VAL HG1 H 0.528 0.030 1 958 98 98 VAL CG2 C 21.874 0.300 2 959 98 98 VAL HG2 H 0.634 0.030 1 960 98 98 VAL C C 176.996 0.300 1 961 99 99 ILE N N 124.035 0.300 1 962 99 99 ILE H H 8.392 0.030 1 963 99 99 ILE CA C 59.802 0.300 1 964 99 99 ILE HA H 4.651 0.030 1 965 99 99 ILE CB C 40.609 0.300 1 966 99 99 ILE HB H 2.085 0.030 1 967 99 99 ILE CG1 C 26.191 0.300 1 968 99 99 ILE HG12 H 1.444 0.030 2 969 99 99 ILE HG13 H 1.372 0.030 2 970 99 99 ILE CG2 C 17.922 0.300 1 971 99 99 ILE HG2 H 1.022 0.030 1 972 99 99 ILE CD1 C 13.550 0.300 1 973 99 99 ILE HD1 H 0.890 0.030 1 974 99 99 ILE C C 175.482 0.300 1 975 100 100 ALA N N 125.837 0.300 1 976 100 100 ALA H H 8.714 0.030 1 977 100 100 ALA CA C 50.416 0.300 1 978 100 100 ALA HA H 4.603 0.030 1 979 100 100 ALA CB C 18.088 0.300 1 980 100 100 ALA HB H 1.407 0.030 1 981 100 100 ALA C C 175.264 0.300 1 982 101 101 PRO CA C 63.104 0.300 1 983 101 101 PRO HA H 4.483 0.030 1 984 101 101 PRO CB C 32.222 0.300 1 985 101 101 PRO HB2 H 1.946 0.030 2 986 101 101 PRO HB3 H 2.319 0.030 2 987 101 101 PRO CG C 27.493 0.300 1 988 101 101 PRO HG2 H 2.093 0.030 1 989 101 101 PRO HG3 H 2.093 0.030 1 990 101 101 PRO CD C 50.787 0.300 1 991 101 101 PRO HD2 H 3.783 0.030 2 992 101 101 PRO HD3 H 3.871 0.030 2 993 101 101 PRO C C 176.976 0.300 1 994 102 102 SER N N 116.530 0.300 1 995 102 102 SER H H 8.527 0.030 1 996 102 102 SER CA C 58.283 0.300 1 997 102 102 SER HA H 4.433 0.030 1 998 102 102 SER CB C 64.078 0.300 1 999 102 102 SER HB2 H 3.837 0.030 2 1000 102 102 SER HB3 H 3.906 0.030 2 1001 102 102 SER C C 174.510 0.300 1 1002 103 103 ASP N N 123.018 0.300 1 1003 103 103 ASP H H 8.450 0.030 1 1004 103 103 ASP CA C 54.431 0.300 1 1005 103 103 ASP HA H 4.654 0.030 1 1006 103 103 ASP CB C 41.226 0.300 1 1007 103 103 ASP HB2 H 2.617 0.030 2 1008 103 103 ASP HB3 H 2.718 0.030 2 1009 103 103 ASP C C 175.889 0.300 1 1010 104 104 ASP N N 120.896 0.300 1 1011 104 104 ASP H H 8.264 0.030 1 1012 104 104 ASP CA C 54.283 0.300 1 1013 104 104 ASP HA H 4.601 0.030 1 1014 104 104 ASP CB C 41.183 0.300 1 1015 104 104 ASP HB2 H 2.575 0.030 2 1016 104 104 ASP HB3 H 2.707 0.030 2 1017 104 104 ASP C C 175.065 0.300 1 1018 105 105 ALA N N 129.568 0.300 1 1019 105 105 ALA H H 7.805 0.030 1 1020 105 105 ALA CA C 53.978 0.300 1 1021 105 105 ALA HA H 4.094 0.030 1 1022 105 105 ALA CB C 20.206 0.300 1 1023 105 105 ALA HB H 1.335 0.030 1 1024 105 105 ALA C C 182.792 0.300 1 stop_ save_