data_10332 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the 23th Filamin domain from human Filamin C ; _BMRB_accession_number 10332 _BMRB_flat_file_name bmr10332.str _Entry_type new _Submission_date 2009-04-14 _Accession_date 2009-04-14 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tomizawa T. . . 2 Kigawa T. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 543 "13C chemical shifts" 425 "15N chemical shifts" 95 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-04-14 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the 23th Filamin domain from human Filamin C' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tomizawa T. . . 2 Kigawa T. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Filamin-C _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Filamin domain' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Filamin domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 111 _Mol_residue_sequence ; GSSGSSGAGDPGLVSAYGPG LEGGTTGVSSEFIVNTLNAG SGALSVTIDGPSKVQLDCRE CPEGHVVTYTPMAPGNYLIA IKYGGPQHIVGSPFKAKVTG PRLSGSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ALA 9 GLY 10 ASP 11 PRO 12 GLY 13 LEU 14 VAL 15 SER 16 ALA 17 TYR 18 GLY 19 PRO 20 GLY 21 LEU 22 GLU 23 GLY 24 GLY 25 THR 26 THR 27 GLY 28 VAL 29 SER 30 SER 31 GLU 32 PHE 33 ILE 34 VAL 35 ASN 36 THR 37 LEU 38 ASN 39 ALA 40 GLY 41 SER 42 GLY 43 ALA 44 LEU 45 SER 46 VAL 47 THR 48 ILE 49 ASP 50 GLY 51 PRO 52 SER 53 LYS 54 VAL 55 GLN 56 LEU 57 ASP 58 CYS 59 ARG 60 GLU 61 CYS 62 PRO 63 GLU 64 GLY 65 HIS 66 VAL 67 VAL 68 THR 69 TYR 70 THR 71 PRO 72 MET 73 ALA 74 PRO 75 GLY 76 ASN 77 TYR 78 LEU 79 ILE 80 ALA 81 ILE 82 LYS 83 TYR 84 GLY 85 GLY 86 PRO 87 GLN 88 HIS 89 ILE 90 VAL 91 GLY 92 SER 93 PRO 94 PHE 95 LYS 96 ALA 97 LYS 98 VAL 99 THR 100 GLY 101 PRO 102 ARG 103 LEU 104 SER 105 GLY 106 SER 107 GLY 108 PRO 109 SER 110 SER 111 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-11-10 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 2D7Q "Solution Structure Of The 23th Filamin Domain From Human Filamin C" 100.00 111 100.00 100.00 6.27e-70 PDB 2NQC "Crystal Structure Of Ig-Like Domain 23 From Human Filamin C" 90.09 138 98.00 98.00 1.09e-62 EMBL CDL67988 "putative filamin like protein, partial [Olea europaea]" 70.27 269 97.44 97.44 1.74e-43 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' . . . . plasmid P050404-09 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 1.13 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name XWINNMR _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20030801 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRview _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.932 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structure solution' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 296 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'Filamin domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 GLY HA2 H 3.864 0.030 1 2 1 1 GLY HA3 H 3.864 0.030 1 3 1 1 GLY CA C 43.693 0.300 1 4 7 7 GLY HA2 H 3.982 0.030 1 5 7 7 GLY HA3 H 3.982 0.030 1 6 7 7 GLY C C 173.710 0.300 1 7 7 7 GLY CA C 45.286 0.300 1 8 8 8 ALA H H 8.183 0.030 1 9 8 8 ALA HA H 4.392 0.030 1 10 8 8 ALA HB H 1.392 0.030 1 11 8 8 ALA C C 177.783 0.300 1 12 8 8 ALA CA C 52.398 0.300 1 13 8 8 ALA CB C 19.515 0.300 1 14 8 8 ALA N N 123.838 0.300 1 15 9 9 GLY H H 8.266 0.030 1 16 9 9 GLY HA2 H 4.090 0.030 2 17 9 9 GLY HA3 H 3.779 0.030 2 18 9 9 GLY C C 173.163 0.300 1 19 9 9 GLY CA C 45.218 0.300 1 20 9 9 GLY N N 108.403 0.300 1 21 10 10 ASP H H 8.302 0.030 1 22 10 10 ASP HA H 5.076 0.030 1 23 10 10 ASP HB2 H 2.871 0.030 2 24 10 10 ASP HB3 H 2.561 0.030 2 25 10 10 ASP C C 175.191 0.300 1 26 10 10 ASP CA C 51.450 0.300 1 27 10 10 ASP CB C 42.015 0.300 1 28 10 10 ASP N N 121.654 0.300 1 29 11 11 PRO HA H 4.349 0.030 1 30 11 11 PRO HB2 H 2.473 0.030 2 31 11 11 PRO HB3 H 2.045 0.030 2 32 11 11 PRO HD2 H 4.029 0.030 2 33 11 11 PRO HD3 H 3.957 0.030 2 34 11 11 PRO HG2 H 2.153 0.030 2 35 11 11 PRO HG3 H 2.060 0.030 2 36 11 11 PRO C C 177.908 0.300 1 37 11 11 PRO CA C 64.269 0.300 1 38 11 11 PRO CB C 31.936 0.300 1 39 11 11 PRO CD C 51.028 0.300 1 40 11 11 PRO CG C 27.241 0.300 1 41 12 12 GLY H H 8.646 0.030 1 42 12 12 GLY HA2 H 4.112 0.030 2 43 12 12 GLY HA3 H 3.828 0.030 2 44 12 12 GLY C C 174.451 0.300 1 45 12 12 GLY CA C 45.792 0.300 1 46 12 12 GLY N N 106.665 0.300 1 47 13 13 LEU H H 7.755 0.030 1 48 13 13 LEU HA H 4.482 0.030 1 49 13 13 LEU HB2 H 1.568 0.030 2 50 13 13 LEU HB3 H 1.622 0.030 2 51 13 13 LEU HD1 H 0.988 0.030 1 52 13 13 LEU HD2 H 0.840 0.030 1 53 13 13 LEU HG H 1.551 0.030 1 54 13 13 LEU C C 176.805 0.300 1 55 13 13 LEU CA C 54.322 0.300 1 56 13 13 LEU CB C 42.713 0.300 1 57 13 13 LEU CD1 C 25.742 0.300 2 58 13 13 LEU CD2 C 22.678 0.300 2 59 13 13 LEU CG C 26.951 0.300 1 60 13 13 LEU N N 119.182 0.300 1 61 14 14 VAL H H 7.422 0.030 1 62 14 14 VAL HA H 4.142 0.030 1 63 14 14 VAL HB H 1.850 0.030 1 64 14 14 VAL HG1 H 0.638 0.030 1 65 14 14 VAL HG2 H 0.360 0.030 1 66 14 14 VAL C C 174.602 0.300 1 67 14 14 VAL CA C 62.437 0.300 1 68 14 14 VAL CB C 32.525 0.300 1 69 14 14 VAL CG1 C 23.073 0.300 2 70 14 14 VAL CG2 C 23.162 0.300 2 71 14 14 VAL N N 122.691 0.300 1 72 15 15 SER H H 8.088 0.030 1 73 15 15 SER HA H 5.079 0.030 1 74 15 15 SER HB2 H 3.980 0.030 2 75 15 15 SER HB3 H 3.901 0.030 2 76 15 15 SER C C 171.760 0.300 1 77 15 15 SER CA C 56.426 0.300 1 78 15 15 SER CB C 66.526 0.300 1 79 15 15 SER N N 120.203 0.300 1 80 16 16 ALA H H 8.790 0.030 1 81 16 16 ALA HA H 5.621 0.030 1 82 16 16 ALA HB H 1.078 0.030 1 83 16 16 ALA C C 175.565 0.300 1 84 16 16 ALA CA C 50.442 0.300 1 85 16 16 ALA CB C 23.185 0.300 1 86 16 16 ALA N N 124.139 0.300 1 87 17 17 TYR H H 8.692 0.030 1 88 17 17 TYR HA H 4.723 0.030 1 89 17 17 TYR HB2 H 3.212 0.030 2 90 17 17 TYR HB3 H 2.924 0.030 2 91 17 17 TYR HD1 H 6.853 0.030 1 92 17 17 TYR HD2 H 6.853 0.030 1 93 17 17 TYR HE1 H 6.748 0.030 1 94 17 17 TYR HE2 H 6.748 0.030 1 95 17 17 TYR C C 173.394 0.300 1 96 17 17 TYR CA C 56.427 0.300 1 97 17 17 TYR CB C 39.207 0.300 1 98 17 17 TYR CD1 C 133.988 0.300 1 99 17 17 TYR CD2 C 133.988 0.300 1 100 17 17 TYR CE1 C 117.622 0.300 1 101 17 17 TYR CE2 C 117.622 0.300 1 102 17 17 TYR N N 117.089 0.300 1 103 18 18 GLY H H 8.642 0.030 1 104 18 18 GLY HA2 H 4.177 0.030 2 105 18 18 GLY HA3 H 4.928 0.030 2 106 18 18 GLY C C 173.395 0.300 1 107 18 18 GLY CA C 44.250 0.300 1 108 18 18 GLY N N 109.380 0.300 1 109 19 19 PRO HA H 4.443 0.030 1 110 19 19 PRO HB2 H 2.432 0.030 2 111 19 19 PRO HB3 H 2.250 0.030 2 112 19 19 PRO HD2 H 3.759 0.030 2 113 19 19 PRO HD3 H 3.935 0.030 2 114 19 19 PRO HG2 H 2.158 0.030 2 115 19 19 PRO HG3 H 2.412 0.030 2 116 19 19 PRO C C 179.958 0.300 1 117 19 19 PRO CA C 65.403 0.300 1 118 19 19 PRO CB C 31.510 0.300 1 119 19 19 PRO CD C 50.185 0.300 1 120 19 19 PRO CG C 27.787 0.300 1 121 20 20 GLY H H 8.801 0.030 1 122 20 20 GLY HA2 H 4.460 0.030 2 123 20 20 GLY HA3 H 3.489 0.030 2 124 20 20 GLY C C 173.981 0.300 1 125 20 20 GLY CA C 46.670 0.300 1 126 20 20 GLY N N 103.442 0.300 1 127 21 21 LEU H H 7.463 0.030 1 128 21 21 LEU HA H 3.781 0.030 1 129 21 21 LEU HB2 H 1.306 0.030 2 130 21 21 LEU HB3 H 1.112 0.030 2 131 21 21 LEU HD1 H -0.207 0.030 1 132 21 21 LEU HD2 H -0.907 0.030 1 133 21 21 LEU HG H 0.591 0.030 1 134 21 21 LEU C C 176.111 0.300 1 135 21 21 LEU CA C 55.558 0.300 1 136 21 21 LEU CB C 41.793 0.300 1 137 21 21 LEU CD1 C 23.518 0.300 2 138 21 21 LEU CD2 C 20.504 0.300 2 139 21 21 LEU CG C 25.983 0.300 1 140 21 21 LEU N N 118.503 0.300 1 141 22 22 GLU H H 7.391 0.030 1 142 22 22 GLU HA H 4.681 0.030 1 143 22 22 GLU HB2 H 2.217 0.030 2 144 22 22 GLU HB3 H 2.098 0.030 2 145 22 22 GLU HG2 H 2.327 0.030 1 146 22 22 GLU HG3 H 2.327 0.030 1 147 22 22 GLU C C 177.847 0.300 1 148 22 22 GLU CA C 56.342 0.300 1 149 22 22 GLU CB C 31.857 0.300 1 150 22 22 GLU CG C 36.448 0.300 1 151 22 22 GLU N N 112.961 0.300 1 152 23 23 GLY H H 7.818 0.030 1 153 23 23 GLY HA2 H 4.658 0.030 2 154 23 23 GLY HA3 H 4.015 0.030 2 155 23 23 GLY C C 171.735 0.300 1 156 23 23 GLY CA C 45.592 0.300 1 157 23 23 GLY N N 107.937 0.300 1 158 24 24 GLY H H 7.708 0.030 1 159 24 24 GLY HA2 H 4.046 0.030 1 160 24 24 GLY HA3 H 4.046 0.030 1 161 24 24 GLY C C 171.594 0.300 1 162 24 24 GLY CA C 45.180 0.300 1 163 24 24 GLY N N 105.651 0.300 1 164 25 25 THR H H 9.144 0.030 1 165 25 25 THR HA H 5.278 0.030 1 166 25 25 THR HB H 3.688 0.030 1 167 25 25 THR HG2 H 1.214 0.030 1 168 25 25 THR C C 173.618 0.300 1 169 25 25 THR CA C 60.504 0.300 1 170 25 25 THR CB C 72.048 0.300 1 171 25 25 THR CG2 C 21.277 0.300 1 172 25 25 THR N N 118.149 0.300 1 173 26 26 THR H H 8.271 0.030 1 174 26 26 THR HA H 3.678 0.030 1 175 26 26 THR HB H 3.838 0.030 1 176 26 26 THR HG2 H 0.694 0.030 1 177 26 26 THR C C 175.630 0.300 1 178 26 26 THR CA C 63.011 0.300 1 179 26 26 THR CB C 68.689 0.300 1 180 26 26 THR CG2 C 23.364 0.300 1 181 26 26 THR N N 116.261 0.300 1 182 27 27 GLY H H 8.706 0.030 1 183 27 27 GLY HA2 H 3.997 0.030 2 184 27 27 GLY HA3 H 3.420 0.030 2 185 27 27 GLY C C 172.821 0.300 1 186 27 27 GLY CA C 45.586 0.300 1 187 27 27 GLY N N 107.819 0.300 1 188 28 28 VAL H H 7.816 0.030 1 189 28 28 VAL HA H 4.188 0.030 1 190 28 28 VAL HB H 1.921 0.030 1 191 28 28 VAL HG1 H 0.959 0.030 1 192 28 28 VAL HG2 H 0.741 0.030 1 193 28 28 VAL C C 175.222 0.300 1 194 28 28 VAL CA C 60.838 0.300 1 195 28 28 VAL CB C 33.779 0.300 1 196 28 28 VAL CG1 C 21.210 0.300 2 197 28 28 VAL CG2 C 21.341 0.300 2 198 28 28 VAL N N 122.084 0.300 1 199 29 29 SER H H 8.477 0.030 1 200 29 29 SER HA H 4.492 0.030 1 201 29 29 SER HB2 H 3.576 0.030 1 202 29 29 SER HB3 H 3.576 0.030 1 203 29 29 SER C C 174.576 0.300 1 204 29 29 SER CA C 59.017 0.300 1 205 29 29 SER CB C 63.434 0.300 1 206 29 29 SER N N 122.295 0.300 1 207 30 30 SER H H 8.978 0.030 1 208 30 30 SER HA H 4.697 0.030 1 209 30 30 SER HB2 H 3.371 0.030 2 210 30 30 SER HB3 H 2.752 0.030 2 211 30 30 SER C C 172.314 0.300 1 212 30 30 SER CA C 57.888 0.300 1 213 30 30 SER CB C 66.437 0.300 1 214 30 30 SER N N 122.838 0.300 1 215 31 31 GLU H H 8.339 0.030 1 216 31 31 GLU HA H 5.801 0.030 1 217 31 31 GLU HB2 H 1.813 0.030 1 218 31 31 GLU HB3 H 1.813 0.030 1 219 31 31 GLU HG2 H 2.026 0.030 1 220 31 31 GLU HG3 H 2.026 0.030 1 221 31 31 GLU C C 176.188 0.300 1 222 31 31 GLU CA C 54.199 0.300 1 223 31 31 GLU CB C 35.053 0.300 1 224 31 31 GLU CG C 36.613 0.300 1 225 31 31 GLU N N 119.638 0.300 1 226 32 32 PHE H H 8.639 0.030 1 227 32 32 PHE HA H 4.900 0.030 1 228 32 32 PHE HB2 H 2.664 0.030 2 229 32 32 PHE HB3 H 2.810 0.030 2 230 32 32 PHE HD1 H 6.557 0.030 1 231 32 32 PHE HD2 H 6.557 0.030 1 232 32 32 PHE HE1 H 6.797 0.030 1 233 32 32 PHE HE2 H 6.797 0.030 1 234 32 32 PHE HZ H 6.713 0.030 1 235 32 32 PHE C C 170.697 0.300 1 236 32 32 PHE CA C 56.969 0.300 1 237 32 32 PHE CB C 41.020 0.300 1 238 32 32 PHE CD1 C 132.062 0.300 1 239 32 32 PHE CD2 C 132.062 0.300 1 240 32 32 PHE CE1 C 130.317 0.300 1 241 32 32 PHE CE2 C 130.317 0.300 1 242 32 32 PHE CZ C 128.789 0.300 1 243 32 32 PHE N N 116.843 0.300 1 244 33 33 ILE H H 8.871 0.030 1 245 33 33 ILE HA H 4.736 0.030 1 246 33 33 ILE HB H 1.021 0.030 1 247 33 33 ILE HD1 H 0.782 0.030 1 248 33 33 ILE HG12 H 1.064 0.030 2 249 33 33 ILE HG13 H 1.405 0.030 2 250 33 33 ILE HG2 H 0.543 0.030 1 251 33 33 ILE C C 175.174 0.300 1 252 33 33 ILE CA C 58.815 0.300 1 253 33 33 ILE CB C 40.854 0.300 1 254 33 33 ILE CD1 C 12.745 0.300 1 255 33 33 ILE CG1 C 28.591 0.300 1 256 33 33 ILE CG2 C 17.105 0.300 1 257 33 33 ILE N N 120.429 0.300 1 258 34 34 VAL H H 9.124 0.030 1 259 34 34 VAL HA H 4.335 0.030 1 260 34 34 VAL HB H 1.953 0.030 1 261 34 34 VAL HG1 H 0.731 0.030 1 262 34 34 VAL HG2 H 0.950 0.030 1 263 34 34 VAL C C 174.384 0.300 1 264 34 34 VAL CA C 61.610 0.300 1 265 34 34 VAL CB C 32.572 0.300 1 266 34 34 VAL CG1 C 22.190 0.300 2 267 34 34 VAL CG2 C 21.432 0.300 2 268 34 34 VAL N N 124.046 0.300 1 269 35 35 ASN H H 9.405 0.030 1 270 35 35 ASN HA H 5.147 0.030 1 271 35 35 ASN HB2 H 3.480 0.030 2 272 35 35 ASN HB3 H 2.608 0.030 2 273 35 35 ASN HD21 H 6.739 0.030 2 274 35 35 ASN HD22 H 7.694 0.030 2 275 35 35 ASN C C 176.170 0.300 1 276 35 35 ASN CA C 52.227 0.300 1 277 35 35 ASN CB C 39.078 0.300 1 278 35 35 ASN N N 127.279 0.300 1 279 35 35 ASN ND2 N 111.172 0.300 1 280 36 36 THR H H 8.619 0.030 1 281 36 36 THR HA H 4.286 0.030 1 282 36 36 THR HB H 4.586 0.030 1 283 36 36 THR HG2 H 0.877 0.030 1 284 36 36 THR C C 176.261 0.300 1 285 36 36 THR CA C 60.431 0.300 1 286 36 36 THR CB C 68.378 0.300 1 287 36 36 THR CG2 C 22.687 0.300 1 288 36 36 THR N N 114.997 0.300 1 289 37 37 LEU H H 8.174 0.030 1 290 37 37 LEU HA H 4.066 0.030 1 291 37 37 LEU HB2 H 1.848 0.030 2 292 37 37 LEU HB3 H 1.497 0.030 2 293 37 37 LEU HD1 H 0.977 0.030 1 294 37 37 LEU HD2 H 0.918 0.030 1 295 37 37 LEU HG H 1.798 0.030 1 296 37 37 LEU C C 178.833 0.300 1 297 37 37 LEU CA C 58.110 0.300 1 298 37 37 LEU CB C 42.330 0.300 1 299 37 37 LEU CD1 C 25.196 0.300 2 300 37 37 LEU CD2 C 23.073 0.300 2 301 37 37 LEU CG C 26.477 0.300 1 302 37 37 LEU N N 124.347 0.300 1 303 38 38 ASN H H 8.850 0.030 1 304 38 38 ASN HA H 4.901 0.030 1 305 38 38 ASN HB2 H 2.995 0.030 2 306 38 38 ASN HB3 H 2.641 0.030 2 307 38 38 ASN HD21 H 7.624 0.030 2 308 38 38 ASN HD22 H 6.969 0.030 2 309 38 38 ASN C C 174.735 0.300 1 310 38 38 ASN CA C 53.121 0.300 1 311 38 38 ASN CB C 39.104 0.300 1 312 38 38 ASN N N 114.708 0.300 1 313 38 38 ASN ND2 N 113.660 0.300 1 314 39 39 ALA H H 7.587 0.030 1 315 39 39 ALA HA H 4.443 0.030 1 316 39 39 ALA HB H 1.172 0.030 1 317 39 39 ALA C C 177.503 0.300 1 318 39 39 ALA CA C 52.370 0.300 1 319 39 39 ALA CB C 21.966 0.300 1 320 39 39 ALA N N 121.482 0.300 1 321 40 40 GLY H H 8.219 0.030 1 322 40 40 GLY HA2 H 4.260 0.030 2 323 40 40 GLY HA3 H 3.903 0.030 2 324 40 40 GLY C C 174.066 0.300 1 325 40 40 GLY CA C 44.602 0.300 1 326 40 40 GLY N N 107.281 0.300 1 327 41 41 SER H H 8.533 0.030 1 328 41 41 SER HA H 4.556 0.030 1 329 41 41 SER HB2 H 3.850 0.030 1 330 41 41 SER HB3 H 3.850 0.030 1 331 41 41 SER C C 173.953 0.300 1 332 41 41 SER CA C 58.527 0.300 1 333 41 41 SER CB C 63.718 0.300 1 334 41 41 SER N N 116.964 0.300 1 335 42 42 GLY H H 7.879 0.030 1 336 42 42 GLY HA2 H 3.802 0.030 2 337 42 42 GLY HA3 H 3.089 0.030 2 338 42 42 GLY C C 170.626 0.300 1 339 42 42 GLY CA C 44.603 0.300 1 340 42 42 GLY N N 110.325 0.300 1 341 43 43 ALA H H 7.976 0.030 1 342 43 43 ALA HA H 4.336 0.030 1 343 43 43 ALA HB H 1.160 0.030 1 344 43 43 ALA C C 176.737 0.300 1 345 43 43 ALA CA C 51.320 0.300 1 346 43 43 ALA CB C 19.563 0.300 1 347 43 43 ALA N N 120.449 0.300 1 348 44 44 LEU H H 8.720 0.030 1 349 44 44 LEU HA H 4.892 0.030 1 350 44 44 LEU HB2 H 1.574 0.030 2 351 44 44 LEU HB3 H 1.064 0.030 2 352 44 44 LEU HD1 H 0.857 0.030 1 353 44 44 LEU HD2 H 0.369 0.030 1 354 44 44 LEU HG H 1.300 0.030 1 355 44 44 LEU C C 175.861 0.300 1 356 44 44 LEU CA C 54.079 0.300 1 357 44 44 LEU CB C 44.148 0.300 1 358 44 44 LEU CD1 C 24.748 0.300 2 359 44 44 LEU CD2 C 25.624 0.300 2 360 44 44 LEU CG C 27.140 0.300 1 361 44 44 LEU N N 125.732 0.300 1 362 45 45 SER H H 8.818 0.030 1 363 45 45 SER HA H 4.775 0.030 1 364 45 45 SER HB2 H 3.608 0.030 1 365 45 45 SER HB3 H 3.608 0.030 1 366 45 45 SER C C 172.920 0.300 1 367 45 45 SER CA C 56.633 0.300 1 368 45 45 SER CB C 64.529 0.300 1 369 45 45 SER N N 121.862 0.300 1 370 46 46 VAL H H 8.461 0.030 1 371 46 46 VAL HA H 5.159 0.030 1 372 46 46 VAL HB H 1.864 0.030 1 373 46 46 VAL HG1 H 0.861 0.030 1 374 46 46 VAL HG2 H 0.914 0.030 1 375 46 46 VAL C C 174.687 0.300 1 376 46 46 VAL CA C 60.689 0.300 1 377 46 46 VAL CB C 34.248 0.300 1 378 46 46 VAL CG1 C 21.526 0.300 2 379 46 46 VAL CG2 C 21.104 0.300 2 380 46 46 VAL N N 127.401 0.300 1 381 47 47 THR H H 8.879 0.030 1 382 47 47 THR HA H 4.547 0.030 1 383 47 47 THR HB H 4.112 0.030 1 384 47 47 THR HG2 H 1.115 0.030 1 385 47 47 THR C C 172.738 0.300 1 386 47 47 THR CA C 60.214 0.300 1 387 47 47 THR CB C 71.834 0.300 1 388 47 47 THR CG2 C 21.557 0.300 1 389 47 47 THR N N 119.144 0.300 1 390 48 48 ILE H H 8.679 0.030 1 391 48 48 ILE HA H 5.026 0.030 1 392 48 48 ILE HB H 1.429 0.030 1 393 48 48 ILE HD1 H -0.032 0.030 1 394 48 48 ILE HG12 H 1.308 0.030 2 395 48 48 ILE HG13 H 0.815 0.030 2 396 48 48 ILE HG2 H 0.576 0.030 1 397 48 48 ILE C C 173.944 0.300 1 398 48 48 ILE CA C 60.787 0.300 1 399 48 48 ILE CB C 40.072 0.300 1 400 48 48 ILE CD1 C 13.202 0.300 1 401 48 48 ILE CG1 C 27.488 0.300 1 402 48 48 ILE CG2 C 16.959 0.300 1 403 48 48 ILE N N 122.275 0.300 1 404 49 49 ASP H H 8.794 0.030 1 405 49 49 ASP HA H 5.229 0.030 1 406 49 49 ASP HB2 H 2.681 0.030 2 407 49 49 ASP HB3 H 2.514 0.030 2 408 49 49 ASP C C 175.002 0.300 1 409 49 49 ASP CA C 52.827 0.300 1 410 49 49 ASP CB C 44.807 0.300 1 411 49 49 ASP N N 127.630 0.300 1 412 50 50 GLY H H 8.488 0.030 1 413 50 50 GLY HA2 H 3.596 0.030 2 414 50 50 GLY HA3 H 3.900 0.030 2 415 50 50 GLY C C 171.719 0.300 1 416 50 50 GLY CA C 45.671 0.300 1 417 50 50 GLY N N 110.917 0.300 1 418 51 51 PRO HA H 4.319 0.030 1 419 51 51 PRO HB2 H 2.225 0.030 2 420 51 51 PRO HB3 H 1.862 0.030 2 421 51 51 PRO HD2 H 2.939 0.030 2 422 51 51 PRO HD3 H 1.781 0.030 2 423 51 51 PRO HG2 H 1.559 0.030 2 424 51 51 PRO HG3 H 1.799 0.030 2 425 51 51 PRO C C 176.050 0.300 1 426 51 51 PRO CA C 64.112 0.300 1 427 51 51 PRO CB C 32.175 0.300 1 428 51 51 PRO CD C 49.342 0.300 1 429 51 51 PRO CG C 26.795 0.300 1 430 52 52 SER H H 7.120 0.030 1 431 52 52 SER HA H 4.625 0.030 1 432 52 52 SER HB2 H 3.817 0.030 1 433 52 52 SER HB3 H 3.817 0.030 1 434 52 52 SER C C 172.850 0.300 1 435 52 52 SER CA C 57.045 0.300 1 436 52 52 SER CB C 66.342 0.300 1 437 52 52 SER N N 109.669 0.300 1 438 53 53 LYS H H 8.546 0.030 1 439 53 53 LYS HA H 4.455 0.030 1 440 53 53 LYS HB2 H 1.835 0.030 1 441 53 53 LYS HB3 H 1.835 0.030 1 442 53 53 LYS HD2 H 1.744 0.030 1 443 53 53 LYS HD3 H 1.744 0.030 1 444 53 53 LYS HE2 H 3.036 0.030 1 445 53 53 LYS HE3 H 3.036 0.030 1 446 53 53 LYS HG2 H 1.519 0.030 2 447 53 53 LYS HG3 H 1.449 0.030 2 448 53 53 LYS C C 176.857 0.300 1 449 53 53 LYS CA C 56.440 0.300 1 450 53 53 LYS CB C 32.107 0.300 1 451 53 53 LYS CD C 29.198 0.300 1 452 53 53 LYS CE C 42.216 0.300 1 453 53 53 LYS CG C 24.830 0.300 1 454 53 53 LYS N N 122.760 0.300 1 455 54 54 VAL H H 8.487 0.030 1 456 54 54 VAL HA H 4.505 0.030 1 457 54 54 VAL HB H 2.012 0.030 1 458 54 54 VAL HG1 H 0.893 0.030 1 459 54 54 VAL HG2 H 0.828 0.030 1 460 54 54 VAL C C 175.253 0.300 1 461 54 54 VAL CA C 60.299 0.300 1 462 54 54 VAL CB C 33.784 0.300 1 463 54 54 VAL CG1 C 22.770 0.300 2 464 54 54 VAL CG2 C 20.795 0.300 2 465 54 54 VAL N N 121.470 0.300 1 466 55 55 GLN H H 8.374 0.030 1 467 55 55 GLN HA H 4.494 0.030 1 468 55 55 GLN HB2 H 2.001 0.030 2 469 55 55 GLN HB3 H 2.051 0.030 2 470 55 55 GLN HE21 H 6.826 0.030 2 471 55 55 GLN HE22 H 7.642 0.030 2 472 55 55 GLN HG2 H 2.341 0.030 1 473 55 55 GLN HG3 H 2.341 0.030 1 474 55 55 GLN C C 174.894 0.300 1 475 55 55 GLN CA C 55.233 0.300 1 476 55 55 GLN CB C 29.204 0.300 1 477 55 55 GLN CG C 33.737 0.300 1 478 55 55 GLN N N 124.510 0.300 1 479 55 55 GLN NE2 N 112.750 0.300 1 480 56 56 LEU H H 8.606 0.030 1 481 56 56 LEU HA H 5.066 0.030 1 482 56 56 LEU HB2 H 1.503 0.030 1 483 56 56 LEU HB3 H 1.503 0.030 1 484 56 56 LEU HD1 H 0.695 0.030 1 485 56 56 LEU HD2 H 0.695 0.030 1 486 56 56 LEU HG H 1.559 0.030 1 487 56 56 LEU C C 175.049 0.300 1 488 56 56 LEU CA C 54.561 0.300 1 489 56 56 LEU CB C 45.451 0.300 1 490 56 56 LEU CD1 C 26.032 0.300 1 491 56 56 LEU CD2 C 26.032 0.300 1 492 56 56 LEU CG C 27.001 0.300 1 493 56 56 LEU N N 126.873 0.300 1 494 57 57 ASP H H 8.935 0.030 1 495 57 57 ASP HA H 4.955 0.030 1 496 57 57 ASP HB2 H 2.619 0.030 2 497 57 57 ASP HB3 H 2.478 0.030 2 498 57 57 ASP C C 173.871 0.300 1 499 57 57 ASP CA C 53.460 0.300 1 500 57 57 ASP CB C 44.625 0.300 1 501 57 57 ASP N N 123.973 0.300 1 502 58 58 CYS H H 8.540 0.030 1 503 58 58 CYS HA H 5.282 0.030 1 504 58 58 CYS HB2 H 2.812 0.030 2 505 58 58 CYS HB3 H 2.612 0.030 2 506 58 58 CYS C C 173.509 0.300 1 507 58 58 CYS CA C 57.048 0.300 1 508 58 58 CYS CB C 28.709 0.300 1 509 58 58 CYS N N 122.684 0.300 1 510 59 59 ARG H H 8.970 0.030 1 511 59 59 ARG HA H 4.931 0.030 1 512 59 59 ARG HB2 H 1.897 0.030 2 513 59 59 ARG HB3 H 1.746 0.030 2 514 59 59 ARG HD2 H 3.129 0.030 2 515 59 59 ARG HD3 H 3.185 0.030 2 516 59 59 ARG HG2 H 1.489 0.030 2 517 59 59 ARG HG3 H 1.653 0.030 2 518 59 59 ARG C C 174.735 0.300 1 519 59 59 ARG CA C 54.300 0.300 1 520 59 59 ARG CB C 33.563 0.300 1 521 59 59 ARG CD C 43.420 0.300 1 522 59 59 ARG CG C 26.815 0.300 1 523 59 59 ARG N N 125.463 0.300 1 524 60 60 GLU H H 8.698 0.030 1 525 60 60 GLU HA H 4.388 0.030 1 526 60 60 GLU HB2 H 1.909 0.030 1 527 60 60 GLU HB3 H 1.909 0.030 1 528 60 60 GLU HG2 H 2.106 0.030 2 529 60 60 GLU HG3 H 2.277 0.030 2 530 60 60 GLU C C 175.726 0.300 1 531 60 60 GLU CA C 57.252 0.300 1 532 60 60 GLU CB C 30.636 0.300 1 533 60 60 GLU CG C 37.193 0.300 1 534 60 60 GLU N N 121.447 0.300 1 535 61 61 CYS H H 8.307 0.030 1 536 61 61 CYS HA H 5.022 0.030 1 537 61 61 CYS HB2 H 2.813 0.030 2 538 61 61 CYS HB3 H 3.255 0.030 2 539 61 61 CYS C C 173.249 0.300 1 540 61 61 CYS CA C 55.866 0.300 1 541 61 61 CYS CB C 28.899 0.300 1 542 61 61 CYS N N 118.695 0.300 1 543 62 62 PRO HA H 4.177 0.030 1 544 62 62 PRO HB2 H 2.359 0.030 2 545 62 62 PRO HB3 H 1.834 0.030 2 546 62 62 PRO HD2 H 3.678 0.030 2 547 62 62 PRO HD3 H 3.775 0.030 2 548 62 62 PRO HG2 H 2.159 0.030 2 549 62 62 PRO HG3 H 1.925 0.030 2 550 62 62 PRO C C 177.914 0.300 1 551 62 62 PRO CA C 66.580 0.300 1 552 62 62 PRO CB C 31.639 0.300 1 553 62 62 PRO CD C 50.614 0.300 1 554 62 62 PRO CG C 28.193 0.300 1 555 63 63 GLU H H 8.519 0.030 1 556 63 63 GLU HA H 4.230 0.030 1 557 63 63 GLU HB2 H 1.935 0.030 2 558 63 63 GLU HB3 H 2.100 0.030 2 559 63 63 GLU HG2 H 2.198 0.030 2 560 63 63 GLU HG3 H 2.306 0.030 2 561 63 63 GLU C C 174.314 0.300 1 562 63 63 GLU CA C 57.560 0.300 1 563 63 63 GLU CB C 30.145 0.300 1 564 63 63 GLU CG C 37.238 0.300 1 565 63 63 GLU N N 114.171 0.300 1 566 64 64 GLY H H 7.526 0.030 1 567 64 64 GLY HA2 H 4.965 0.030 2 568 64 64 GLY HA3 H 3.348 0.030 2 569 64 64 GLY C C 172.756 0.300 1 570 64 64 GLY CA C 47.349 0.300 1 571 64 64 GLY N N 108.086 0.300 1 572 65 65 HIS H H 8.929 0.030 1 573 65 65 HIS HA H 5.262 0.030 1 574 65 65 HIS HB2 H 2.826 0.030 2 575 65 65 HIS HB3 H 2.415 0.030 2 576 65 65 HIS HD2 H 6.583 0.030 1 577 65 65 HIS HE1 H 7.797 0.030 1 578 65 65 HIS C C 173.104 0.300 1 579 65 65 HIS CA C 55.673 0.300 1 580 65 65 HIS CB C 34.703 0.300 1 581 65 65 HIS CD2 C 120.357 0.300 1 582 65 65 HIS CE1 C 138.653 0.300 1 583 65 65 HIS N N 125.534 0.300 1 584 66 66 VAL H H 9.465 0.030 1 585 66 66 VAL HA H 4.723 0.030 1 586 66 66 VAL HB H 1.915 0.030 1 587 66 66 VAL HG1 H 0.805 0.030 1 588 66 66 VAL HG2 H 0.782 0.030 1 589 66 66 VAL C C 174.373 0.300 1 590 66 66 VAL CA C 59.805 0.300 1 591 66 66 VAL CB C 33.695 0.300 1 592 66 66 VAL CG1 C 21.448 0.300 2 593 66 66 VAL CG2 C 20.177 0.300 2 594 66 66 VAL N N 121.937 0.300 1 595 67 67 VAL H H 8.841 0.030 1 596 67 67 VAL HA H 4.684 0.030 1 597 67 67 VAL HB H 0.012 0.030 1 598 67 67 VAL HG1 H 0.546 0.030 1 599 67 67 VAL HG2 H 0.529 0.030 1 600 67 67 VAL C C 174.038 0.300 1 601 67 67 VAL CA C 60.068 0.300 1 602 67 67 VAL CB C 32.311 0.300 1 603 67 67 VAL CG1 C 22.591 0.300 2 604 67 67 VAL CG2 C 21.227 0.300 2 605 67 67 VAL N N 131.136 0.300 1 606 68 68 THR H H 8.544 0.030 1 607 68 68 THR HA H 5.421 0.030 1 608 68 68 THR HB H 3.863 0.030 1 609 68 68 THR HG2 H 1.104 0.030 1 610 68 68 THR C C 173.935 0.300 1 611 68 68 THR CA C 59.535 0.300 1 612 68 68 THR CB C 71.314 0.300 1 613 68 68 THR CG2 C 21.781 0.300 1 614 68 68 THR N N 118.289 0.300 1 615 69 69 TYR H H 8.890 0.030 1 616 69 69 TYR HA H 5.333 0.030 1 617 69 69 TYR HB2 H 2.791 0.030 2 618 69 69 TYR HB3 H 2.592 0.030 2 619 69 69 TYR HD1 H 6.425 0.030 1 620 69 69 TYR HD2 H 6.425 0.030 1 621 69 69 TYR HE1 H 6.130 0.030 1 622 69 69 TYR HE2 H 6.130 0.030 1 623 69 69 TYR C C 172.892 0.300 1 624 69 69 TYR CA C 56.141 0.300 1 625 69 69 TYR CB C 41.431 0.300 1 626 69 69 TYR CD1 C 132.740 0.300 1 627 69 69 TYR CD2 C 132.740 0.300 1 628 69 69 TYR CE1 C 116.219 0.300 1 629 69 69 TYR CE2 C 116.219 0.300 1 630 69 69 TYR N N 120.621 0.300 1 631 70 70 THR H H 8.284 0.030 1 632 70 70 THR HA H 4.895 0.030 1 633 70 70 THR HB H 3.934 0.030 1 634 70 70 THR HG2 H 0.775 0.030 1 635 70 70 THR C C 172.618 0.300 1 636 70 70 THR CA C 58.610 0.300 1 637 70 70 THR CB C 70.189 0.300 1 638 70 70 THR CG2 C 20.371 0.300 1 639 70 70 THR N N 116.882 0.300 1 640 71 71 PRO HA H 4.486 0.030 1 641 71 71 PRO HB2 H 1.692 0.030 2 642 71 71 PRO HB3 H 1.396 0.030 2 643 71 71 PRO HD2 H 3.356 0.030 2 644 71 71 PRO HD3 H 4.290 0.030 2 645 71 71 PRO HG2 H 2.006 0.030 2 646 71 71 PRO HG3 H 1.687 0.030 2 647 71 71 PRO C C 176.649 0.300 1 648 71 71 PRO CA C 61.656 0.300 1 649 71 71 PRO CB C 32.728 0.300 1 650 71 71 PRO CD C 50.371 0.300 1 651 71 71 PRO CG C 26.889 0.300 1 652 72 72 MET H H 8.506 0.030 1 653 72 72 MET HA H 4.814 0.030 1 654 72 72 MET HB2 H 2.308 0.030 2 655 72 72 MET HB3 H 1.915 0.030 2 656 72 72 MET HE H 2.022 0.030 1 657 72 72 MET HG2 H 2.502 0.030 2 658 72 72 MET HG3 H 2.732 0.030 2 659 72 72 MET C C 174.493 0.300 1 660 72 72 MET CA C 53.872 0.300 1 661 72 72 MET CB C 32.910 0.300 1 662 72 72 MET CE C 17.368 0.300 1 663 72 72 MET CG C 32.426 0.300 1 664 72 72 MET N N 118.220 0.300 1 665 73 73 ALA H H 7.104 0.030 1 666 73 73 ALA HA H 4.794 0.030 1 667 73 73 ALA HB H 1.340 0.030 1 668 73 73 ALA C C 174.463 0.300 1 669 73 73 ALA CA C 49.464 0.300 1 670 73 73 ALA CB C 20.589 0.300 1 671 73 73 ALA N N 119.298 0.300 1 672 74 74 PRO HA H 4.227 0.030 1 673 74 74 PRO HB2 H 2.317 0.030 2 674 74 74 PRO HB3 H 2.115 0.030 2 675 74 74 PRO HD2 H 3.675 0.030 2 676 74 74 PRO HD3 H 3.461 0.030 2 677 74 74 PRO HG2 H 2.190 0.030 2 678 74 74 PRO HG3 H 2.004 0.030 2 679 74 74 PRO C C 174.492 0.300 1 680 74 74 PRO CA C 62.490 0.300 1 681 74 74 PRO CB C 32.591 0.300 1 682 74 74 PRO CD C 50.371 0.300 1 683 74 74 PRO CG C 26.899 0.300 1 684 75 75 GLY H H 8.795 0.030 1 685 75 75 GLY HA2 H 4.475 0.030 2 686 75 75 GLY HA3 H 3.740 0.030 2 687 75 75 GLY C C 171.720 0.300 1 688 75 75 GLY CA C 44.143 0.300 1 689 75 75 GLY N N 105.331 0.300 1 690 76 76 ASN H H 8.522 0.030 1 691 76 76 ASN HA H 5.510 0.030 1 692 76 76 ASN HB2 H 2.618 0.030 2 693 76 76 ASN HB3 H 2.448 0.030 2 694 76 76 ASN HD21 H 6.864 0.030 2 695 76 76 ASN HD22 H 7.580 0.030 2 696 76 76 ASN C C 174.372 0.300 1 697 76 76 ASN CA C 52.403 0.300 1 698 76 76 ASN CB C 39.423 0.300 1 699 76 76 ASN N N 118.739 0.300 1 700 76 76 ASN ND2 N 113.604 0.300 1 701 77 77 TYR H H 9.366 0.030 1 702 77 77 TYR HA H 4.991 0.030 1 703 77 77 TYR HB2 H 2.796 0.030 2 704 77 77 TYR HB3 H 2.460 0.030 2 705 77 77 TYR HD1 H 6.998 0.030 1 706 77 77 TYR HD2 H 6.998 0.030 1 707 77 77 TYR HE1 H 6.801 0.030 1 708 77 77 TYR HE2 H 6.801 0.030 1 709 77 77 TYR C C 174.302 0.300 1 710 77 77 TYR CA C 56.513 0.300 1 711 77 77 TYR CB C 40.061 0.300 1 712 77 77 TYR CD1 C 133.769 0.300 1 713 77 77 TYR CD2 C 133.769 0.300 1 714 77 77 TYR CE1 C 116.598 0.300 1 715 77 77 TYR CE2 C 116.598 0.300 1 716 77 77 TYR N N 123.260 0.300 1 717 78 78 LEU H H 9.056 0.030 1 718 78 78 LEU HA H 5.226 0.030 1 719 78 78 LEU HB2 H 1.647 0.030 2 720 78 78 LEU HB3 H 1.487 0.030 2 721 78 78 LEU HD1 H 0.822 0.030 1 722 78 78 LEU HD2 H 0.796 0.030 1 723 78 78 LEU HG H 1.518 0.030 1 724 78 78 LEU C C 176.525 0.300 1 725 78 78 LEU CA C 53.337 0.300 1 726 78 78 LEU CB C 44.095 0.300 1 727 78 78 LEU CD1 C 24.873 0.300 2 728 78 78 LEU CD2 C 24.346 0.300 2 729 78 78 LEU CG C 27.435 0.300 1 730 78 78 LEU N N 124.640 0.300 1 731 79 79 ILE H H 9.652 0.030 1 732 79 79 ILE HA H 4.684 0.030 1 733 79 79 ILE HB H 1.840 0.030 1 734 79 79 ILE HD1 H 0.616 0.030 1 735 79 79 ILE HG12 H 1.417 0.030 2 736 79 79 ILE HG13 H 0.589 0.030 2 737 79 79 ILE HG2 H 0.542 0.030 1 738 79 79 ILE C C 174.314 0.300 1 739 79 79 ILE CA C 60.669 0.300 1 740 79 79 ILE CB C 39.524 0.300 1 741 79 79 ILE CD1 C 15.019 0.300 1 742 79 79 ILE CG1 C 27.468 0.300 1 743 79 79 ILE CG2 C 17.011 0.300 1 744 79 79 ILE N N 128.629 0.300 1 745 80 80 ALA H H 9.096 0.030 1 746 80 80 ALA HA H 5.161 0.030 1 747 80 80 ALA HB H 1.363 0.030 1 748 80 80 ALA C C 176.531 0.300 1 749 80 80 ALA CA C 50.196 0.300 1 750 80 80 ALA CB C 20.709 0.300 1 751 80 80 ALA N N 130.753 0.300 1 752 81 81 ILE H H 9.653 0.030 1 753 81 81 ILE HA H 4.907 0.030 1 754 81 81 ILE HB H 1.778 0.030 1 755 81 81 ILE HD1 H 0.714 0.030 1 756 81 81 ILE HG12 H 1.005 0.030 2 757 81 81 ILE HG13 H 1.722 0.030 2 758 81 81 ILE HG2 H 0.870 0.030 1 759 81 81 ILE C C 173.301 0.300 1 760 81 81 ILE CA C 60.938 0.300 1 761 81 81 ILE CB C 40.627 0.300 1 762 81 81 ILE CD1 C 15.395 0.300 1 763 81 81 ILE CG1 C 27.331 0.300 1 764 81 81 ILE CG2 C 18.680 0.300 1 765 81 81 ILE N N 125.446 0.300 1 766 82 82 LYS H H 8.776 0.030 1 767 82 82 LYS HA H 4.974 0.030 1 768 82 82 LYS HB2 H 1.870 0.030 2 769 82 82 LYS HB3 H 1.349 0.030 2 770 82 82 LYS HD2 H 1.149 0.030 1 771 82 82 LYS HD3 H 1.149 0.030 1 772 82 82 LYS HE2 H 2.201 0.030 2 773 82 82 LYS HE3 H 1.936 0.030 2 774 82 82 LYS HG2 H 0.487 0.030 2 775 82 82 LYS HG3 H 0.738 0.030 2 776 82 82 LYS C C 175.203 0.300 1 777 82 82 LYS CA C 54.600 0.300 1 778 82 82 LYS CB C 36.017 0.300 1 779 82 82 LYS CD C 29.504 0.300 1 780 82 82 LYS CE C 41.637 0.300 1 781 82 82 LYS CG C 24.644 0.300 1 782 82 82 LYS N N 126.088 0.300 1 783 83 83 TYR H H 8.067 0.030 1 784 83 83 TYR HA H 5.350 0.030 1 785 83 83 TYR HB2 H 2.625 0.030 2 786 83 83 TYR HB3 H 2.478 0.030 2 787 83 83 TYR HD1 H 6.636 0.030 1 788 83 83 TYR HD2 H 6.636 0.030 1 789 83 83 TYR HE1 H 6.570 0.030 1 790 83 83 TYR HE2 H 6.570 0.030 1 791 83 83 TYR C C 175.359 0.300 1 792 83 83 TYR CA C 56.921 0.300 1 793 83 83 TYR CB C 43.109 0.300 1 794 83 83 TYR CD1 C 132.136 0.300 1 795 83 83 TYR CD2 C 132.136 0.300 1 796 83 83 TYR CE1 C 118.085 0.300 1 797 83 83 TYR CE2 C 118.085 0.300 1 798 83 83 TYR N N 120.562 0.300 1 799 84 84 GLY H H 8.448 0.030 1 800 84 84 GLY HA2 H 3.774 0.030 2 801 84 84 GLY HA3 H 3.543 0.030 2 802 84 84 GLY C C 173.252 0.300 1 803 84 84 GLY CA C 45.686 0.300 1 804 84 84 GLY N N 114.371 0.300 1 805 85 85 GLY H H 7.499 0.030 1 806 85 85 GLY HA2 H 3.634 0.030 2 807 85 85 GLY HA3 H 4.508 0.030 2 808 85 85 GLY C C 172.496 0.300 1 809 85 85 GLY CA C 44.269 0.300 1 810 85 85 GLY N N 107.475 0.300 1 811 86 86 PRO HA H 4.377 0.030 1 812 86 86 PRO HB2 H 2.064 0.030 1 813 86 86 PRO HB3 H 2.064 0.030 1 814 86 86 PRO HD2 H 3.478 0.030 2 815 86 86 PRO HD3 H 3.693 0.030 2 816 86 86 PRO HG2 H 1.824 0.030 2 817 86 86 PRO HG3 H 1.992 0.030 2 818 86 86 PRO C C 176.357 0.300 1 819 86 86 PRO CA C 63.244 0.300 1 820 86 86 PRO CB C 31.833 0.300 1 821 86 86 PRO CD C 49.362 0.300 1 822 86 86 PRO CG C 26.208 0.300 1 823 87 87 GLN H H 8.326 0.030 1 824 87 87 GLN HA H 4.369 0.030 1 825 87 87 GLN HB2 H 2.095 0.030 1 826 87 87 GLN HB3 H 2.095 0.030 1 827 87 87 GLN HE21 H 7.625 0.030 2 828 87 87 GLN HE22 H 6.937 0.030 2 829 87 87 GLN HG2 H 2.384 0.030 1 830 87 87 GLN HG3 H 2.384 0.030 1 831 87 87 GLN C C 175.559 0.300 1 832 87 87 GLN CA C 55.930 0.300 1 833 87 87 GLN CB C 29.400 0.300 1 834 87 87 GLN CG C 33.894 0.300 1 835 87 87 GLN N N 121.485 0.300 1 836 87 87 GLN NE2 N 112.211 0.300 1 837 88 88 HIS H H 8.285 0.030 1 838 88 88 HIS HA H 4.481 0.030 1 839 88 88 HIS HB2 H 3.249 0.030 2 840 88 88 HIS HB3 H 2.881 0.030 2 841 88 88 HIS HD2 H 7.191 0.030 1 842 88 88 HIS HE1 H 7.516 0.030 1 843 88 88 HIS C C 178.071 0.300 1 844 88 88 HIS CA C 57.703 0.300 1 845 88 88 HIS CB C 33.561 0.300 1 846 88 88 HIS CD2 C 117.868 0.300 1 847 88 88 HIS CE1 C 136.831 0.300 1 848 88 88 HIS N N 122.403 0.300 1 849 89 89 ILE H H 8.265 0.030 1 850 89 89 ILE HA H 4.552 0.030 1 851 89 89 ILE HB H 2.236 0.030 1 852 89 89 ILE HD1 H 0.903 0.030 1 853 89 89 ILE HG12 H 1.397 0.030 1 854 89 89 ILE HG13 H 1.397 0.030 1 855 89 89 ILE HG2 H 0.922 0.030 1 856 89 89 ILE C C 176.229 0.300 1 857 89 89 ILE CA C 60.989 0.300 1 858 89 89 ILE CB C 38.750 0.300 1 859 89 89 ILE CD1 C 15.941 0.300 1 860 89 89 ILE CG1 C 25.193 0.300 1 861 89 89 ILE CG2 C 17.674 0.300 1 862 89 89 ILE N N 115.453 0.300 1 863 90 90 VAL H H 8.423 0.030 1 864 90 90 VAL HA H 3.654 0.030 1 865 90 90 VAL HB H 2.133 0.030 1 866 90 90 VAL HG1 H 1.142 0.030 1 867 90 90 VAL HG2 H 0.977 0.030 1 868 90 90 VAL C C 176.698 0.300 1 869 90 90 VAL CA C 65.821 0.300 1 870 90 90 VAL CB C 31.112 0.300 1 871 90 90 VAL CG1 C 22.442 0.300 2 872 90 90 VAL CG2 C 20.936 0.300 2 873 90 90 VAL N N 122.942 0.300 1 874 91 91 GLY H H 8.269 0.030 1 875 91 91 GLY HA2 H 4.125 0.030 2 876 91 91 GLY HA3 H 3.151 0.030 2 877 91 91 GLY C C 172.108 0.300 1 878 91 91 GLY CA C 44.521 0.300 1 879 91 91 GLY N N 115.842 0.300 1 880 92 92 SER H H 7.339 0.030 1 881 92 92 SER HA H 4.152 0.030 1 882 92 92 SER HB2 H 3.746 0.030 2 883 92 92 SER HB3 H 4.464 0.030 2 884 92 92 SER CA C 54.698 0.300 1 885 92 92 SER CB C 62.500 0.300 1 886 92 92 SER N N 111.687 0.300 1 887 93 93 PRO HA H 5.522 0.030 1 888 93 93 PRO HB2 H 1.967 0.030 2 889 93 93 PRO HB3 H 1.746 0.030 2 890 93 93 PRO HD2 H 3.259 0.030 2 891 93 93 PRO HD3 H 2.467 0.030 2 892 93 93 PRO HG2 H 1.844 0.030 1 893 93 93 PRO HG3 H 1.844 0.030 1 894 93 93 PRO C C 175.649 0.300 1 895 93 93 PRO CA C 62.420 0.300 1 896 93 93 PRO CB C 34.006 0.300 1 897 93 93 PRO CD C 49.759 0.300 1 898 93 93 PRO CG C 24.619 0.300 1 899 94 94 PHE H H 9.422 0.030 1 900 94 94 PHE HA H 4.454 0.030 1 901 94 94 PHE HB2 H 3.165 0.030 2 902 94 94 PHE HB3 H 2.766 0.030 2 903 94 94 PHE HD1 H 7.221 0.030 1 904 94 94 PHE HD2 H 7.221 0.030 1 905 94 94 PHE HE1 H 7.137 0.030 1 906 94 94 PHE HE2 H 7.137 0.030 1 907 94 94 PHE HZ H 7.400 0.030 1 908 94 94 PHE C C 175.155 0.300 1 909 94 94 PHE CA C 57.342 0.300 1 910 94 94 PHE CB C 40.874 0.300 1 911 94 94 PHE CD1 C 132.554 0.300 1 912 94 94 PHE CD2 C 132.554 0.300 1 913 94 94 PHE CE1 C 130.685 0.300 1 914 94 94 PHE CE2 C 130.685 0.300 1 915 94 94 PHE CZ C 129.495 0.300 1 916 94 94 PHE N N 123.599 0.300 1 917 95 95 LYS H H 8.710 0.030 1 918 95 95 LYS HA H 4.938 0.030 1 919 95 95 LYS HB2 H 1.682 0.030 2 920 95 95 LYS HB3 H 1.801 0.030 2 921 95 95 LYS HD2 H 1.621 0.030 1 922 95 95 LYS HD3 H 1.621 0.030 1 923 95 95 LYS HE2 H 2.881 0.030 1 924 95 95 LYS HE3 H 2.881 0.030 1 925 95 95 LYS HG2 H 1.199 0.030 2 926 95 95 LYS HG3 H 1.299 0.030 2 927 95 95 LYS C C 174.194 0.300 1 928 95 95 LYS CA C 55.762 0.300 1 929 95 95 LYS CB C 32.916 0.300 1 930 95 95 LYS CD C 29.428 0.300 1 931 95 95 LYS CE C 41.751 0.300 1 932 95 95 LYS CG C 24.958 0.300 1 933 95 95 LYS N N 123.392 0.300 1 934 96 96 ALA H H 9.019 0.030 1 935 96 96 ALA HA H 4.481 0.030 1 936 96 96 ALA HB H 1.069 0.030 1 937 96 96 ALA C C 176.106 0.300 1 938 96 96 ALA CA C 50.400 0.300 1 939 96 96 ALA CB C 20.529 0.300 1 940 96 96 ALA N N 129.990 0.300 1 941 97 97 LYS H H 7.965 0.030 1 942 97 97 LYS HA H 4.957 0.030 1 943 97 97 LYS HB2 H 1.922 0.030 2 944 97 97 LYS HB3 H 1.848 0.030 2 945 97 97 LYS HD2 H 1.745 0.030 1 946 97 97 LYS HD3 H 1.745 0.030 1 947 97 97 LYS HE2 H 2.995 0.030 1 948 97 97 LYS HE3 H 2.995 0.030 1 949 97 97 LYS HG2 H 1.459 0.030 2 950 97 97 LYS HG3 H 1.298 0.030 2 951 97 97 LYS C C 175.281 0.300 1 952 97 97 LYS CA C 55.852 0.300 1 953 97 97 LYS CB C 33.745 0.300 1 954 97 97 LYS CD C 29.314 0.300 1 955 97 97 LYS CE C 42.076 0.300 1 956 97 97 LYS CG C 24.929 0.300 1 957 97 97 LYS N N 124.067 0.300 1 958 98 98 VAL H H 9.365 0.030 1 959 98 98 VAL HA H 4.814 0.030 1 960 98 98 VAL HB H 2.320 0.030 1 961 98 98 VAL HG1 H 0.720 0.030 1 962 98 98 VAL HG2 H 0.633 0.030 1 963 98 98 VAL C C 177.002 0.300 1 964 98 98 VAL CA C 60.669 0.300 1 965 98 98 VAL CB C 33.113 0.300 1 966 98 98 VAL CG1 C 22.154 0.300 2 967 98 98 VAL CG2 C 21.980 0.300 2 968 98 98 VAL N N 128.948 0.300 1 969 99 99 THR H H 8.502 0.030 1 970 99 99 THR HA H 4.806 0.030 1 971 99 99 THR HB H 4.434 0.030 1 972 99 99 THR HG2 H 1.240 0.030 1 973 99 99 THR C C 173.196 0.300 1 974 99 99 THR CA C 59.928 0.300 1 975 99 99 THR CB C 71.218 0.300 1 976 99 99 THR CG2 C 21.320 0.300 1 977 99 99 THR N N 120.722 0.300 1 978 100 100 GLY H H 8.338 0.030 1 979 100 100 GLY HA2 H 3.972 0.030 2 980 100 100 GLY HA3 H 4.663 0.030 2 981 100 100 GLY C C 171.817 0.300 1 982 100 100 GLY CA C 44.015 0.300 1 983 100 100 GLY N N 107.649 0.300 1 984 101 101 PRO HA H 4.431 0.030 1 985 101 101 PRO HB2 H 2.190 0.030 2 986 101 101 PRO HB3 H 1.804 0.030 2 987 101 101 PRO HD2 H 3.478 0.030 2 988 101 101 PRO HD3 H 3.632 0.030 2 989 101 101 PRO HG2 H 1.865 0.030 2 990 101 101 PRO HG3 H 1.967 0.030 2 991 101 101 PRO C C 176.932 0.300 1 992 101 101 PRO CA C 62.193 0.300 1 993 101 101 PRO CB C 32.182 0.300 1 994 101 101 PRO CD C 49.365 0.300 1 995 101 101 PRO CG C 27.031 0.300 1 996 102 102 ARG H H 8.579 0.030 1 997 102 102 ARG HA H 4.307 0.030 1 998 102 102 ARG HB2 H 1.765 0.030 2 999 102 102 ARG HB3 H 1.891 0.030 2 1000 102 102 ARG HD2 H 3.237 0.030 1 1001 102 102 ARG HD3 H 3.237 0.030 1 1002 102 102 ARG HG2 H 1.658 0.030 1 1003 102 102 ARG HG3 H 1.658 0.030 1 1004 102 102 ARG C C 176.134 0.300 1 1005 102 102 ARG CA C 57.103 0.300 1 1006 102 102 ARG CB C 30.331 0.300 1 1007 102 102 ARG CD C 43.479 0.300 1 1008 102 102 ARG CG C 28.142 0.300 1 1009 102 102 ARG N N 119.904 0.300 1 1010 103 103 LEU H H 8.494 0.030 1 1011 103 103 LEU HA H 4.548 0.030 1 1012 103 103 LEU HB2 H 1.767 0.030 2 1013 103 103 LEU HB3 H 1.603 0.030 2 1014 103 103 LEU HD1 H 0.874 0.030 1 1015 103 103 LEU HD2 H 0.795 0.030 1 1016 103 103 LEU HG H 1.652 0.030 1 1017 103 103 LEU C C 177.151 0.300 1 1018 103 103 LEU CA C 54.656 0.300 1 1019 103 103 LEU CB C 42.910 0.300 1 1020 103 103 LEU CD1 C 25.181 0.300 2 1021 103 103 LEU CD2 C 22.711 0.300 2 1022 103 103 LEU CG C 26.763 0.300 1 1023 103 103 LEU N N 127.030 0.300 1 1024 104 104 SER H H 8.208 0.030 1 1025 104 104 SER HA H 4.516 0.030 1 1026 104 104 SER HB2 H 3.867 0.030 2 1027 104 104 SER C C 174.740 0.300 1 1028 104 104 SER CA C 58.321 0.300 1 1029 104 104 SER CB C 63.965 0.300 1 1030 104 104 SER N N 115.456 0.300 1 1031 105 105 GLY H H 8.333 0.030 1 1032 105 105 GLY HA2 H 4.100 0.030 1 1033 105 105 GLY HA3 H 4.100 0.030 1 1034 105 105 GLY C C 171.910 0.300 1 1035 105 105 GLY CA C 44.373 0.300 1 1036 105 105 GLY N N 110.811 0.300 1 1037 106 106 SER C C 174.147 0.300 1 1038 106 106 SER CA C 54.902 0.300 1 1039 106 106 SER CB C 62.647 0.300 1 1040 107 107 GLY HA2 H 4.143 0.030 2 1041 107 107 GLY CA C 44.651 0.300 1 1042 108 108 PRO HA H 4.475 0.030 1 1043 108 108 PRO HB2 H 2.289 0.030 2 1044 108 108 PRO HB3 H 1.975 0.030 2 1045 108 108 PRO HD2 H 3.625 0.030 1 1046 108 108 PRO HD3 H 3.625 0.030 1 1047 108 108 PRO HG2 H 2.009 0.030 1 1048 108 108 PRO HG3 H 2.009 0.030 1 1049 108 108 PRO CA C 63.292 0.300 1 1050 108 108 PRO CB C 32.202 0.300 1 1051 108 108 PRO CD C 49.809 0.300 1 1052 108 108 PRO CG C 27.145 0.300 1 1053 110 110 SER HA H 4.477 0.030 1 1054 110 110 SER HB2 H 3.880 0.030 2 1055 110 110 SER C C 173.931 0.300 1 1056 110 110 SER CA C 58.445 0.300 1 1057 110 110 SER CB C 64.047 0.300 1 1058 111 111 GLY H H 8.047 0.030 1 1059 111 111 GLY HA2 H 3.791 0.030 2 1060 111 111 GLY HA3 H 3.750 0.030 2 1061 111 111 GLY C C 178.979 0.300 1 1062 111 111 GLY CA C 46.207 0.300 1 1063 111 111 GLY N N 116.845 0.300 1 stop_ save_