data_10328 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the 14th Filamin domain from human Filamin C ; _BMRB_accession_number 10328 _BMRB_flat_file_name bmr10328.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" 608 "13C chemical shifts" 467 "15N chemical shifts" 106 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 14th 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 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 115 _Mol_residue_sequence ; GSSGSSGAHDASKVRASGPG LNASGIPASLPVEFTIDARD AGEGLLTVQILDPEGKPKKA NIRDNGDGTYTVSYLPDMSG RYTITIKYGGDEIPYSPFRI HALPTGDASSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ALA 9 HIS 10 ASP 11 ALA 12 SER 13 LYS 14 VAL 15 ARG 16 ALA 17 SER 18 GLY 19 PRO 20 GLY 21 LEU 22 ASN 23 ALA 24 SER 25 GLY 26 ILE 27 PRO 28 ALA 29 SER 30 LEU 31 PRO 32 VAL 33 GLU 34 PHE 35 THR 36 ILE 37 ASP 38 ALA 39 ARG 40 ASP 41 ALA 42 GLY 43 GLU 44 GLY 45 LEU 46 LEU 47 THR 48 VAL 49 GLN 50 ILE 51 LEU 52 ASP 53 PRO 54 GLU 55 GLY 56 LYS 57 PRO 58 LYS 59 LYS 60 ALA 61 ASN 62 ILE 63 ARG 64 ASP 65 ASN 66 GLY 67 ASP 68 GLY 69 THR 70 TYR 71 THR 72 VAL 73 SER 74 TYR 75 LEU 76 PRO 77 ASP 78 MET 79 SER 80 GLY 81 ARG 82 TYR 83 THR 84 ILE 85 THR 86 ILE 87 LYS 88 TYR 89 GLY 90 GLY 91 ASP 92 GLU 93 ILE 94 PRO 95 TYR 96 SER 97 PRO 98 PHE 99 ARG 100 ILE 101 HIS 102 ALA 103 LEU 104 PRO 105 THR 106 GLY 107 ASP 108 ALA 109 SER 110 SER 111 GLY 112 PRO 113 SER 114 SER 115 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 2D7M "Solution Structure Of The 14th Filamin Domain From Human Filamin C" 100.00 115 100.00 100.00 7.09e-74 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 P050404-01 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 1.22 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 3.866 0.030 1 2 1 1 GLY HA3 H 3.866 0.030 1 3 1 1 GLY CA C 43.633 0.300 1 4 4 4 GLY HA2 H 4.008 0.030 1 5 4 4 GLY HA3 H 4.008 0.030 1 6 4 4 GLY C C 174.235 0.300 1 7 4 4 GLY CA C 45.357 0.300 1 8 5 5 SER H H 8.270 0.030 1 9 5 5 SER HA H 4.487 0.030 1 10 5 5 SER HB2 H 3.894 0.030 1 11 5 5 SER HB3 H 3.894 0.030 1 12 5 5 SER C C 174.713 0.300 1 13 5 5 SER CA C 58.304 0.300 1 14 5 5 SER CB C 63.977 0.300 1 15 5 5 SER N N 115.823 0.300 1 16 6 6 SER H H 8.344 0.030 1 17 6 6 SER HA H 4.477 0.030 1 18 6 6 SER HB2 H 3.877 0.030 1 19 6 6 SER HB3 H 3.877 0.030 1 20 6 6 SER C C 173.959 0.300 1 21 6 6 SER CA C 58.410 0.300 1 22 6 6 SER CB C 63.894 0.300 1 23 6 6 SER N N 117.945 0.300 1 24 7 7 GLY H H 8.493 0.030 1 25 7 7 GLY HA2 H 4.036 0.030 1 26 7 7 GLY HA3 H 4.036 0.030 1 27 7 7 GLY C C 173.515 0.300 1 28 7 7 GLY CA C 45.285 0.300 1 29 7 7 GLY N N 110.923 0.300 1 30 8 8 ALA H H 8.339 0.030 1 31 8 8 ALA HA H 4.507 0.030 1 32 8 8 ALA HB H 1.443 0.030 1 33 8 8 ALA C C 176.858 0.300 1 34 8 8 ALA CA C 52.332 0.300 1 35 8 8 ALA CB C 19.614 0.300 1 36 8 8 ALA N N 123.711 0.300 1 37 9 9 HIS H H 7.880 0.030 1 38 9 9 HIS HA H 5.289 0.030 1 39 9 9 HIS HB2 H 2.938 0.030 2 40 9 9 HIS HB3 H 3.138 0.030 2 41 9 9 HIS HD2 H 6.934 0.030 1 42 9 9 HIS HE1 H 8.065 0.030 1 43 9 9 HIS C C 174.519 0.300 1 44 9 9 HIS CA C 55.706 0.300 1 45 9 9 HIS CB C 32.693 0.300 1 46 9 9 HIS CD2 C 118.986 0.300 1 47 9 9 HIS CE1 C 139.106 0.300 1 48 9 9 HIS N N 117.520 0.300 1 49 10 10 ASP H H 8.658 0.030 1 50 10 10 ASP HA H 4.641 0.030 1 51 10 10 ASP HB2 H 2.447 0.030 2 52 10 10 ASP HB3 H 2.784 0.030 2 53 10 10 ASP C C 176.698 0.300 1 54 10 10 ASP CA C 52.885 0.300 1 55 10 10 ASP CB C 41.230 0.300 1 56 10 10 ASP N N 118.360 0.300 1 57 11 11 ALA H H 9.577 0.030 1 58 11 11 ALA HA H 4.177 0.030 1 59 11 11 ALA HB H 1.788 0.030 1 60 11 11 ALA C C 178.197 0.300 1 61 11 11 ALA CA C 54.881 0.300 1 62 11 11 ALA CB C 20.090 0.300 1 63 11 11 ALA N N 126.348 0.300 1 64 12 12 SER H H 8.265 0.030 1 65 12 12 SER HA H 4.251 0.030 1 66 12 12 SER HB2 H 4.007 0.030 2 67 12 12 SER HB3 H 3.949 0.030 2 68 12 12 SER C C 175.423 0.300 1 69 12 12 SER CA C 60.931 0.300 1 70 12 12 SER CB C 62.767 0.300 1 71 12 12 SER N N 111.399 0.300 1 72 13 13 LYS H H 7.305 0.030 1 73 13 13 LYS HA H 4.357 0.030 1 74 13 13 LYS HB2 H 1.493 0.030 2 75 13 13 LYS HB3 H 1.853 0.030 2 76 13 13 LYS HD2 H 1.594 0.030 2 77 13 13 LYS HD3 H 1.566 0.030 2 78 13 13 LYS HE2 H 2.947 0.030 1 79 13 13 LYS HE3 H 2.947 0.030 1 80 13 13 LYS HG2 H 1.210 0.030 2 81 13 13 LYS HG3 H 1.427 0.030 2 82 13 13 LYS C C 176.620 0.300 1 83 13 13 LYS CA C 54.837 0.300 1 84 13 13 LYS CB C 33.122 0.300 1 85 13 13 LYS CD C 28.502 0.300 1 86 13 13 LYS CE C 42.409 0.300 1 87 13 13 LYS CG C 25.052 0.300 1 88 13 13 LYS N N 119.608 0.300 1 89 14 14 VAL H H 7.437 0.030 1 90 14 14 VAL HA H 3.975 0.030 1 91 14 14 VAL HB H 2.059 0.030 1 92 14 14 VAL HG1 H 0.670 0.030 1 93 14 14 VAL HG2 H 0.468 0.030 1 94 14 14 VAL C C 175.286 0.300 1 95 14 14 VAL CA C 63.295 0.300 1 96 14 14 VAL CB C 31.264 0.300 1 97 14 14 VAL CG1 C 23.501 0.300 2 98 14 14 VAL CG2 C 23.656 0.300 2 99 14 14 VAL N N 122.217 0.300 1 100 15 15 ARG H H 8.266 0.030 1 101 15 15 ARG HA H 4.819 0.030 1 102 15 15 ARG HB2 H 1.806 0.030 2 103 15 15 ARG HB3 H 1.976 0.030 2 104 15 15 ARG HD2 H 3.187 0.030 2 105 15 15 ARG HD3 H 3.353 0.030 2 106 15 15 ARG HG2 H 1.684 0.030 2 107 15 15 ARG HG3 H 1.629 0.030 2 108 15 15 ARG C C 174.487 0.300 1 109 15 15 ARG CA C 54.727 0.300 1 110 15 15 ARG CB C 33.732 0.300 1 111 15 15 ARG CD C 43.212 0.300 1 112 15 15 ARG CG C 27.678 0.300 1 113 15 15 ARG N N 126.875 0.300 1 114 16 16 ALA H H 8.730 0.030 1 115 16 16 ALA HA H 5.509 0.030 1 116 16 16 ALA HB H 1.076 0.030 1 117 16 16 ALA C C 175.513 0.300 1 118 16 16 ALA CA C 50.694 0.300 1 119 16 16 ALA CB C 22.444 0.300 1 120 16 16 ALA N N 127.011 0.300 1 121 17 17 SER H H 8.883 0.030 1 122 17 17 SER HA H 4.567 0.030 1 123 17 17 SER HB2 H 3.921 0.030 2 124 17 17 SER HB3 H 3.895 0.030 2 125 17 17 SER C C 172.201 0.300 1 126 17 17 SER CA C 57.985 0.300 1 127 17 17 SER CB C 65.405 0.300 1 128 17 17 SER N N 114.662 0.300 1 129 18 18 GLY H H 8.442 0.030 1 130 18 18 GLY HA2 H 5.129 0.030 2 131 18 18 GLY HA3 H 4.072 0.030 2 132 18 18 GLY C C 173.442 0.300 1 133 18 18 GLY CA C 44.947 0.300 1 134 18 18 GLY N N 107.608 0.300 1 135 19 19 PRO HA H 4.325 0.030 1 136 19 19 PRO HB2 H 2.180 0.030 2 137 19 19 PRO HB3 H 2.439 0.030 2 138 19 19 PRO HD2 H 3.712 0.030 2 139 19 19 PRO HD3 H 3.965 0.030 2 140 19 19 PRO HG2 H 2.068 0.030 2 141 19 19 PRO HG3 H 2.394 0.030 2 142 19 19 PRO C C 179.514 0.300 1 143 19 19 PRO CA C 65.846 0.300 1 144 19 19 PRO CB C 31.896 0.300 1 145 19 19 PRO CD C 50.126 0.300 1 146 19 19 PRO CG C 27.700 0.300 1 147 20 20 GLY H H 8.964 0.030 1 148 20 20 GLY HA2 H 3.245 0.030 2 149 20 20 GLY HA3 H 4.022 0.030 2 150 20 20 GLY C C 171.417 0.300 1 151 20 20 GLY CA C 46.641 0.300 1 152 20 20 GLY N N 101.139 0.300 1 153 21 21 LEU H H 7.579 0.030 1 154 21 21 LEU HA H 4.317 0.030 1 155 21 21 LEU HB2 H 1.001 0.030 2 156 21 21 LEU HB3 H 1.260 0.030 2 157 21 21 LEU HD1 H -0.469 0.030 1 158 21 21 LEU HD2 H -0.592 0.030 1 159 21 21 LEU HG H 0.113 0.030 1 160 21 21 LEU C C 176.341 0.300 1 161 21 21 LEU CA C 52.554 0.300 1 162 21 21 LEU CB C 41.445 0.300 1 163 21 21 LEU CD1 C 25.437 0.300 2 164 21 21 LEU CD2 C 21.149 0.300 2 165 21 21 LEU CG C 25.481 0.300 1 166 21 21 LEU N N 116.781 0.300 1 167 22 22 ASN H H 6.924 0.030 1 168 22 22 ASN HA H 4.448 0.030 1 169 22 22 ASN HB2 H 2.902 0.030 1 170 22 22 ASN HB3 H 2.902 0.030 1 171 22 22 ASN HD21 H 7.004 0.030 2 172 22 22 ASN HD22 H 7.846 0.030 2 173 22 22 ASN C C 176.463 0.300 1 174 22 22 ASN CA C 54.691 0.300 1 175 22 22 ASN CB C 39.155 0.300 1 176 22 22 ASN N N 119.719 0.300 1 177 22 22 ASN ND2 N 113.360 0.300 1 178 23 23 ALA H H 8.887 0.030 1 179 23 23 ALA HA H 4.299 0.030 1 180 23 23 ALA HB H 1.593 0.030 1 181 23 23 ALA C C 179.203 0.300 1 182 23 23 ALA CA C 54.523 0.300 1 183 23 23 ALA CB C 18.985 0.300 1 184 23 23 ALA N N 130.203 0.300 1 185 24 24 SER H H 8.375 0.030 1 186 24 24 SER HA H 4.567 0.030 1 187 24 24 SER HB2 H 4.024 0.030 2 188 24 24 SER HB3 H 3.971 0.030 2 189 24 24 SER C C 174.372 0.300 1 190 24 24 SER CA C 59.157 0.300 1 191 24 24 SER CB C 63.292 0.300 1 192 24 24 SER N N 112.268 0.300 1 193 25 25 GLY H H 7.577 0.030 1 194 25 25 GLY HA2 H 4.309 0.030 2 195 25 25 GLY HA3 H 4.484 0.030 2 196 25 25 GLY C C 172.914 0.300 1 197 25 25 GLY CA C 44.414 0.300 1 198 25 25 GLY N N 111.403 0.300 1 199 26 26 ILE H H 8.647 0.030 1 200 26 26 ILE HA H 4.954 0.030 1 201 26 26 ILE HB H 1.889 0.030 1 202 26 26 ILE HD1 H 0.734 0.030 1 203 26 26 ILE HG12 H 0.911 0.030 2 204 26 26 ILE HG13 H 1.183 0.030 2 205 26 26 ILE HG2 H 0.977 0.030 1 206 26 26 ILE C C 172.883 0.300 1 207 26 26 ILE CA C 58.282 0.300 1 208 26 26 ILE CB C 39.362 0.300 1 209 26 26 ILE CD1 C 15.095 0.300 1 210 26 26 ILE CG1 C 25.337 0.300 1 211 26 26 ILE CG2 C 18.776 0.300 1 212 26 26 ILE N N 115.994 0.300 1 213 27 27 PRO HA H 4.605 0.030 1 214 27 27 PRO HB2 H 1.831 0.030 2 215 27 27 PRO HB3 H 2.199 0.030 2 216 27 27 PRO HD2 H 3.764 0.030 2 217 27 27 PRO HD3 H 3.573 0.030 2 218 27 27 PRO HG2 H 1.950 0.030 2 219 27 27 PRO HG3 H 2.166 0.030 2 220 27 27 PRO C C 176.985 0.300 1 221 27 27 PRO CA C 62.407 0.300 1 222 27 27 PRO CB C 31.829 0.300 1 223 27 27 PRO CD C 50.099 0.300 1 224 27 27 PRO CG C 27.954 0.300 1 225 28 28 ALA H H 8.532 0.030 1 226 28 28 ALA HA H 4.214 0.030 1 227 28 28 ALA HB H 1.136 0.030 1 228 28 28 ALA C C 178.039 0.300 1 229 28 28 ALA CA C 52.584 0.300 1 230 28 28 ALA CB C 18.343 0.300 1 231 28 28 ALA N N 124.554 0.300 1 232 29 29 SER H H 8.556 0.030 1 233 29 29 SER HA H 3.654 0.030 1 234 29 29 SER HB2 H 4.082 0.030 2 235 29 29 SER HB3 H 4.012 0.030 2 236 29 29 SER C C 172.209 0.300 1 237 29 29 SER CA C 61.156 0.300 1 238 29 29 SER CB C 62.073 0.300 1 239 29 29 SER N N 108.424 0.300 1 240 30 30 LEU H H 6.849 0.030 1 241 30 30 LEU HA H 4.862 0.030 1 242 30 30 LEU HB2 H 1.483 0.030 2 243 30 30 LEU HB3 H 1.424 0.030 2 244 30 30 LEU HD1 H 0.890 0.030 1 245 30 30 LEU HD2 H 0.853 0.030 1 246 30 30 LEU HG H 1.515 0.030 1 247 30 30 LEU C C 173.782 0.300 1 248 30 30 LEU CA C 51.443 0.300 1 249 30 30 LEU CB C 43.382 0.300 1 250 30 30 LEU CD1 C 23.525 0.300 2 251 30 30 LEU CD2 C 25.266 0.300 2 252 30 30 LEU CG C 26.934 0.300 1 253 30 30 LEU N N 120.897 0.300 1 254 31 31 PRO HA H 4.451 0.030 1 255 31 31 PRO HB2 H 1.810 0.030 2 256 31 31 PRO HB3 H 2.125 0.030 2 257 31 31 PRO HD2 H 3.620 0.030 2 258 31 31 PRO HD3 H 3.684 0.030 2 259 31 31 PRO HG2 H 1.932 0.030 2 260 31 31 PRO HG3 H 2.030 0.030 2 261 31 31 PRO C C 175.548 0.300 1 262 31 31 PRO CA C 62.973 0.300 1 263 31 31 PRO CB C 32.036 0.300 1 264 31 31 PRO CD C 50.409 0.300 1 265 31 31 PRO CG C 27.420 0.300 1 266 32 32 VAL H H 8.508 0.030 1 267 32 32 VAL HA H 4.515 0.030 1 268 32 32 VAL HB H 1.739 0.030 1 269 32 32 VAL HG1 H 0.297 0.030 1 270 32 32 VAL HG2 H 0.736 0.030 1 271 32 32 VAL C C 172.037 0.300 1 272 32 32 VAL CA C 60.001 0.300 1 273 32 32 VAL CB C 35.630 0.300 1 274 32 32 VAL CG1 C 19.528 0.300 2 275 32 32 VAL CG2 C 21.496 0.300 2 276 32 32 VAL N N 121.373 0.300 1 277 33 33 GLU H H 7.608 0.030 1 278 33 33 GLU HA H 5.927 0.030 1 279 33 33 GLU HB2 H 1.801 0.030 1 280 33 33 GLU HB3 H 1.801 0.030 1 281 33 33 GLU HG2 H 2.076 0.030 1 282 33 33 GLU HG3 H 2.076 0.030 1 283 33 33 GLU C C 176.790 0.300 1 284 33 33 GLU CA C 53.494 0.300 1 285 33 33 GLU CB C 34.415 0.300 1 286 33 33 GLU CG C 35.883 0.300 1 287 33 33 GLU N N 119.995 0.300 1 288 34 34 PHE H H 9.036 0.030 1 289 34 34 PHE HA H 5.196 0.030 1 290 34 34 PHE HB2 H 2.469 0.030 2 291 34 34 PHE HB3 H 3.138 0.030 2 292 34 34 PHE HD1 H 6.783 0.030 1 293 34 34 PHE HD2 H 6.783 0.030 1 294 34 34 PHE HE1 H 6.894 0.030 1 295 34 34 PHE HE2 H 6.894 0.030 1 296 34 34 PHE HZ H 6.729 0.030 1 297 34 34 PHE C C 172.108 0.300 1 298 34 34 PHE CA C 56.996 0.300 1 299 34 34 PHE CB C 41.112 0.300 1 300 34 34 PHE CD1 C 132.492 0.300 1 301 34 34 PHE CD2 C 132.492 0.300 1 302 34 34 PHE CE1 C 130.201 0.300 1 303 34 34 PHE CE2 C 130.201 0.300 1 304 34 34 PHE CZ C 128.262 0.300 1 305 34 34 PHE N N 114.428 0.300 1 306 35 35 THR H H 9.454 0.030 1 307 35 35 THR HA H 5.302 0.030 1 308 35 35 THR HB H 4.024 0.030 1 309 35 35 THR HG2 H 1.185 0.030 1 310 35 35 THR C C 173.975 0.300 1 311 35 35 THR CA C 62.180 0.300 1 312 35 35 THR CB C 71.538 0.300 1 313 35 35 THR CG2 C 21.099 0.300 1 314 35 35 THR N N 116.899 0.300 1 315 36 36 ILE H H 9.290 0.030 1 316 36 36 ILE HA H 4.748 0.030 1 317 36 36 ILE HB H 1.899 0.030 1 318 36 36 ILE HD1 H 0.913 0.030 1 319 36 36 ILE HG12 H 1.254 0.030 2 320 36 36 ILE HG13 H 1.557 0.030 2 321 36 36 ILE HG2 H 0.775 0.030 1 322 36 36 ILE C C 173.939 0.300 1 323 36 36 ILE CA C 59.188 0.300 1 324 36 36 ILE CB C 39.412 0.300 1 325 36 36 ILE CD1 C 14.541 0.300 1 326 36 36 ILE CG1 C 27.048 0.300 1 327 36 36 ILE CG2 C 17.734 0.300 1 328 36 36 ILE N N 125.523 0.300 1 329 37 37 ASP H H 9.386 0.030 1 330 37 37 ASP HA H 4.885 0.030 1 331 37 37 ASP HB2 H 3.074 0.030 2 332 37 37 ASP HB3 H 2.529 0.030 2 333 37 37 ASP C C 175.203 0.300 1 334 37 37 ASP CA C 52.962 0.300 1 335 37 37 ASP CB C 41.917 0.300 1 336 37 37 ASP N N 127.413 0.300 1 337 38 38 ALA H H 8.972 0.030 1 338 38 38 ALA HA H 4.560 0.030 1 339 38 38 ALA HB H 1.198 0.030 1 340 38 38 ALA C C 178.813 0.300 1 341 38 38 ALA CA C 50.605 0.300 1 342 38 38 ALA CB C 19.390 0.300 1 343 38 38 ALA N N 130.075 0.300 1 344 39 39 ARG H H 8.444 0.030 1 345 39 39 ARG HA H 3.956 0.030 1 346 39 39 ARG HB2 H 1.921 0.030 2 347 39 39 ARG HB3 H 1.841 0.030 2 348 39 39 ARG HD2 H 3.164 0.030 2 349 39 39 ARG HD3 H 3.248 0.030 2 350 39 39 ARG HE H 7.691 0.030 1 351 39 39 ARG HG2 H 2.186 0.030 2 352 39 39 ARG HG3 H 1.748 0.030 2 353 39 39 ARG C C 178.008 0.300 1 354 39 39 ARG CA C 60.921 0.300 1 355 39 39 ARG CB C 30.839 0.300 1 356 39 39 ARG CD C 43.781 0.300 1 357 39 39 ARG CG C 28.037 0.300 1 358 39 39 ARG N N 122.134 0.300 1 359 39 39 ARG NE N 84.562 0.300 1 360 40 40 ASP H H 8.853 0.030 1 361 40 40 ASP HA H 5.001 0.030 1 362 40 40 ASP HB2 H 2.373 0.030 2 363 40 40 ASP HB3 H 2.945 0.030 2 364 40 40 ASP C C 175.794 0.300 1 365 40 40 ASP CA C 53.974 0.300 1 366 40 40 ASP CB C 41.832 0.300 1 367 40 40 ASP N N 116.184 0.300 1 368 41 41 ALA H H 7.390 0.030 1 369 41 41 ALA HA H 4.409 0.030 1 370 41 41 ALA HB H 1.078 0.030 1 371 41 41 ALA C C 176.773 0.300 1 372 41 41 ALA CA C 52.255 0.300 1 373 41 41 ALA CB C 23.544 0.300 1 374 41 41 ALA N N 121.345 0.300 1 375 42 42 GLY H H 8.521 0.030 1 376 42 42 GLY HA2 H 3.826 0.030 2 377 42 42 GLY HA3 H 4.365 0.030 2 378 42 42 GLY C C 174.647 0.300 1 379 42 42 GLY CA C 45.038 0.300 1 380 42 42 GLY N N 108.284 0.300 1 381 43 43 GLU H H 8.607 0.030 1 382 43 43 GLU HA H 4.612 0.030 1 383 43 43 GLU HB2 H 1.945 0.030 1 384 43 43 GLU HB3 H 1.945 0.030 1 385 43 43 GLU HG2 H 2.245 0.030 2 386 43 43 GLU HG3 H 2.154 0.030 2 387 43 43 GLU C C 174.206 0.300 1 388 43 43 GLU CA C 56.252 0.300 1 389 43 43 GLU CB C 31.310 0.300 1 390 43 43 GLU CG C 36.115 0.300 1 391 43 43 GLU N N 124.292 0.300 1 392 44 44 GLY H H 7.550 0.030 1 393 44 44 GLY HA2 H 2.430 0.030 2 394 44 44 GLY HA3 H 3.809 0.030 2 395 44 44 GLY C C 169.881 0.300 1 396 44 44 GLY CA C 44.082 0.300 1 397 44 44 GLY N N 110.597 0.300 1 398 45 45 LEU H H 7.573 0.030 1 399 45 45 LEU HA H 4.299 0.030 1 400 45 45 LEU HB2 H 1.319 0.030 1 401 45 45 LEU HB3 H 1.319 0.030 1 402 45 45 LEU HD1 H 0.746 0.030 1 403 45 45 LEU HD2 H 0.834 0.030 1 404 45 45 LEU HG H 1.268 0.030 1 405 45 45 LEU C C 177.178 0.300 1 406 45 45 LEU CA C 54.003 0.300 1 407 45 45 LEU CB C 42.822 0.300 1 408 45 45 LEU CD1 C 24.588 0.300 2 409 45 45 LEU CD2 C 23.850 0.300 2 410 45 45 LEU CG C 26.739 0.300 1 411 45 45 LEU N N 117.544 0.300 1 412 46 46 LEU H H 8.866 0.030 1 413 46 46 LEU HA H 5.037 0.030 1 414 46 46 LEU HB2 H 0.903 0.030 2 415 46 46 LEU HB3 H 1.534 0.030 2 416 46 46 LEU HD1 H 0.806 0.030 1 417 46 46 LEU HD2 H 0.112 0.030 1 418 46 46 LEU HG H 1.090 0.030 1 419 46 46 LEU C C 175.820 0.300 1 420 46 46 LEU CA C 54.200 0.300 1 421 46 46 LEU CB C 43.259 0.300 1 422 46 46 LEU CD1 C 23.920 0.300 2 423 46 46 LEU CD2 C 25.481 0.300 2 424 46 46 LEU CG C 27.195 0.300 1 425 46 46 LEU N N 132.093 0.300 1 426 47 47 THR H H 9.016 0.030 1 427 47 47 THR HA H 4.567 0.030 1 428 47 47 THR HB H 3.983 0.030 1 429 47 47 THR HG2 H 0.990 0.030 1 430 47 47 THR C C 172.807 0.300 1 431 47 47 THR CA C 60.098 0.300 1 432 47 47 THR CB C 71.726 0.300 1 433 47 47 THR CG2 C 21.770 0.300 1 434 47 47 THR N N 118.374 0.300 1 435 48 48 VAL H H 8.555 0.030 1 436 48 48 VAL HA H 4.680 0.030 1 437 48 48 VAL HB H 1.775 0.030 1 438 48 48 VAL HG1 H 0.746 0.030 1 439 48 48 VAL HG2 H 0.800 0.030 1 440 48 48 VAL C C 173.941 0.300 1 441 48 48 VAL CA C 61.016 0.300 1 442 48 48 VAL CB C 35.260 0.300 1 443 48 48 VAL CG1 C 21.312 0.300 2 444 48 48 VAL CG2 C 21.216 0.300 2 445 48 48 VAL N N 122.159 0.300 1 446 49 49 GLN H H 8.917 0.030 1 447 49 49 GLN HA H 4.719 0.030 1 448 49 49 GLN HB2 H 1.887 0.030 2 449 49 49 GLN HB3 H 2.011 0.030 2 450 49 49 GLN HE21 H 7.564 0.030 2 451 49 49 GLN HE22 H 6.893 0.030 2 452 49 49 GLN HG2 H 2.225 0.030 2 453 49 49 GLN HG3 H 2.077 0.030 2 454 49 49 GLN C C 173.872 0.300 1 455 49 49 GLN CA C 54.338 0.300 1 456 49 49 GLN CB C 32.577 0.300 1 457 49 49 GLN CG C 34.436 0.300 1 458 49 49 GLN N N 126.925 0.300 1 459 49 49 GLN NE2 N 112.274 0.300 1 460 50 50 ILE H H 9.272 0.030 1 461 50 50 ILE HA H 4.794 0.030 1 462 50 50 ILE HB H 1.925 0.030 1 463 50 50 ILE HD1 H 0.166 0.030 1 464 50 50 ILE HG12 H 0.665 0.030 2 465 50 50 ILE HG13 H 1.373 0.030 2 466 50 50 ILE HG2 H 0.519 0.030 1 467 50 50 ILE C C 174.554 0.300 1 468 50 50 ILE CA C 60.638 0.300 1 469 50 50 ILE CB C 39.337 0.300 1 470 50 50 ILE CD1 C 13.561 0.300 1 471 50 50 ILE CG1 C 27.146 0.300 1 472 50 50 ILE CG2 C 16.726 0.300 1 473 50 50 ILE N N 126.953 0.300 1 474 51 51 LEU H H 8.931 0.030 1 475 51 51 LEU HA H 4.900 0.030 1 476 51 51 LEU HB2 H 1.163 0.030 2 477 51 51 LEU HB3 H 1.693 0.030 2 478 51 51 LEU HD1 H 0.777 0.030 1 479 51 51 LEU HD2 H 0.631 0.030 1 480 51 51 LEU HG H 1.477 0.030 1 481 51 51 LEU C C 175.864 0.300 1 482 51 51 LEU CA C 52.856 0.300 1 483 51 51 LEU CB C 44.563 0.300 1 484 51 51 LEU CD1 C 25.293 0.300 2 485 51 51 LEU CD2 C 22.290 0.300 2 486 51 51 LEU CG C 26.834 0.300 1 487 51 51 LEU N N 127.332 0.300 1 488 52 52 ASP H H 9.011 0.030 1 489 52 52 ASP HA H 3.978 0.030 1 490 52 52 ASP HB2 H 3.076 0.030 2 491 52 52 ASP HB3 H 2.470 0.030 2 492 52 52 ASP C C 175.774 0.300 1 493 52 52 ASP CA C 52.170 0.300 1 494 52 52 ASP CB C 40.896 0.300 1 495 52 52 ASP N N 124.999 0.300 1 496 53 53 PRO HA H 4.477 0.030 1 497 53 53 PRO HB2 H 1.670 0.030 2 498 53 53 PRO HB3 H 2.482 0.030 2 499 53 53 PRO HD2 H 1.988 0.030 2 500 53 53 PRO HD3 H 3.208 0.030 2 501 53 53 PRO HG2 H 1.557 0.030 2 502 53 53 PRO HG3 H 1.208 0.030 2 503 53 53 PRO C C 178.389 0.300 1 504 53 53 PRO CA C 65.123 0.300 1 505 53 53 PRO CB C 32.441 0.300 1 506 53 53 PRO CD C 50.608 0.300 1 507 53 53 PRO CG C 27.153 0.300 1 508 54 54 GLU H H 8.170 0.030 1 509 54 54 GLU HA H 4.396 0.030 1 510 54 54 GLU HB2 H 1.962 0.030 2 511 54 54 GLU HB3 H 2.181 0.030 2 512 54 54 GLU HG2 H 2.184 0.030 2 513 54 54 GLU HG3 H 2.148 0.030 2 514 54 54 GLU C C 176.553 0.300 1 515 54 54 GLU CA C 55.066 0.300 1 516 54 54 GLU CB C 30.407 0.300 1 517 54 54 GLU CG C 36.865 0.300 1 518 54 54 GLU N N 115.327 0.300 1 519 55 55 GLY H H 8.684 0.030 1 520 55 55 GLY HA2 H 3.552 0.030 2 521 55 55 GLY HA3 H 4.119 0.030 2 522 55 55 GLY C C 173.829 0.300 1 523 55 55 GLY CA C 45.751 0.300 1 524 55 55 GLY N N 109.937 0.300 1 525 56 56 LYS H H 8.321 0.030 1 526 56 56 LYS HA H 4.727 0.030 1 527 56 56 LYS HB2 H 2.011 0.030 2 528 56 56 LYS HB3 H 1.716 0.030 2 529 56 56 LYS HD2 H 1.704 0.030 1 530 56 56 LYS HD3 H 1.704 0.030 1 531 56 56 LYS HE2 H 2.991 0.030 1 532 56 56 LYS HE3 H 2.991 0.030 1 533 56 56 LYS HG2 H 1.384 0.030 1 534 56 56 LYS HG3 H 1.384 0.030 1 535 56 56 LYS C C 174.681 0.300 1 536 56 56 LYS CA C 53.280 0.300 1 537 56 56 LYS CB C 31.347 0.300 1 538 56 56 LYS CD C 28.675 0.300 1 539 56 56 LYS CE C 41.745 0.300 1 540 56 56 LYS CG C 24.459 0.300 1 541 56 56 LYS N N 121.962 0.300 1 542 57 57 PRO HA H 4.988 0.030 1 543 57 57 PRO HB2 H 1.877 0.030 2 544 57 57 PRO HB3 H 2.253 0.030 2 545 57 57 PRO HD2 H 3.861 0.030 2 546 57 57 PRO HD3 H 3.651 0.030 2 547 57 57 PRO HG2 H 2.143 0.030 2 548 57 57 PRO HG3 H 1.951 0.030 2 549 57 57 PRO C C 177.364 0.300 1 550 57 57 PRO CA C 62.900 0.300 1 551 57 57 PRO CB C 32.288 0.300 1 552 57 57 PRO CD C 50.458 0.300 1 553 57 57 PRO CG C 27.815 0.300 1 554 58 58 LYS H H 8.694 0.030 1 555 58 58 LYS HA H 4.751 0.030 1 556 58 58 LYS HB2 H 1.640 0.030 2 557 58 58 LYS HB3 H 1.849 0.030 2 558 58 58 LYS HD2 H 2.047 0.030 2 559 58 58 LYS HD3 H 2.134 0.030 2 560 58 58 LYS HE2 H 3.353 0.030 2 561 58 58 LYS HE3 H 3.413 0.030 2 562 58 58 LYS HG2 H 1.637 0.030 1 563 58 58 LYS HG3 H 1.637 0.030 1 564 58 58 LYS C C 175.316 0.300 1 565 58 58 LYS CA C 52.644 0.300 1 566 58 58 LYS CB C 33.807 0.300 1 567 58 58 LYS CD C 28.119 0.300 1 568 58 58 LYS CE C 42.097 0.300 1 569 58 58 LYS CG C 24.258 0.300 1 570 58 58 LYS N N 124.095 0.300 1 571 59 59 LYS H H 8.625 0.030 1 572 59 59 LYS HA H 4.163 0.030 1 573 59 59 LYS HB2 H 1.800 0.030 1 574 59 59 LYS HB3 H 1.800 0.030 1 575 59 59 LYS HD2 H 1.723 0.030 1 576 59 59 LYS HD3 H 1.723 0.030 1 577 59 59 LYS HE2 H 3.022 0.030 1 578 59 59 LYS HE3 H 3.022 0.030 1 579 59 59 LYS HG2 H 1.396 0.030 1 580 59 59 LYS HG3 H 1.396 0.030 1 581 59 59 LYS C C 175.012 0.300 1 582 59 59 LYS CA C 57.313 0.300 1 583 59 59 LYS CB C 32.938 0.300 1 584 59 59 LYS CD C 29.192 0.300 1 585 59 59 LYS CE C 42.215 0.300 1 586 59 59 LYS CG C 24.822 0.300 1 587 59 59 LYS N N 125.224 0.300 1 588 60 60 ALA H H 8.479 0.030 1 589 60 60 ALA HA H 4.814 0.030 1 590 60 60 ALA HB H 1.128 0.030 1 591 60 60 ALA C C 176.058 0.300 1 592 60 60 ALA CA C 50.097 0.300 1 593 60 60 ALA CB C 20.154 0.300 1 594 60 60 ALA N N 127.512 0.300 1 595 61 61 ASN H H 8.798 0.030 1 596 61 61 ASN HA H 4.884 0.030 1 597 61 61 ASN HB2 H 2.787 0.030 2 598 61 61 ASN HB3 H 2.737 0.030 2 599 61 61 ASN HD21 H 6.927 0.030 2 600 61 61 ASN HD22 H 7.336 0.030 2 601 61 61 ASN C C 174.108 0.300 1 602 61 61 ASN CA C 52.856 0.300 1 603 61 61 ASN CB C 39.746 0.300 1 604 61 61 ASN N N 121.752 0.300 1 605 61 61 ASN ND2 N 113.958 0.300 1 606 62 62 ILE H H 8.828 0.030 1 607 62 62 ILE HA H 4.340 0.030 1 608 62 62 ILE HB H 1.812 0.030 1 609 62 62 ILE HD1 H 0.807 0.030 1 610 62 62 ILE HG12 H 1.561 0.030 2 611 62 62 ILE HG13 H 0.710 0.030 2 612 62 62 ILE HG2 H 0.795 0.030 1 613 62 62 ILE C C 174.705 0.300 1 614 62 62 ILE CA C 61.591 0.300 1 615 62 62 ILE CB C 39.843 0.300 1 616 62 62 ILE CD1 C 13.952 0.300 1 617 62 62 ILE CG1 C 27.789 0.300 1 618 62 62 ILE CG2 C 18.363 0.300 1 619 62 62 ILE N N 125.202 0.300 1 620 63 63 ARG H H 9.209 0.030 1 621 63 63 ARG HA H 4.674 0.030 1 622 63 63 ARG HB2 H 1.643 0.030 2 623 63 63 ARG HB3 H 1.939 0.030 2 624 63 63 ARG HD2 H 3.143 0.030 2 625 63 63 ARG HD3 H 3.200 0.030 2 626 63 63 ARG HG2 H 1.252 0.030 2 627 63 63 ARG HG3 H 1.593 0.030 2 628 63 63 ARG C C 174.650 0.300 1 629 63 63 ARG CA C 54.625 0.300 1 630 63 63 ARG CB C 32.653 0.300 1 631 63 63 ARG CD C 43.793 0.300 1 632 63 63 ARG CG C 27.048 0.300 1 633 63 63 ARG N N 130.506 0.300 1 634 64 64 ASP H H 8.894 0.030 1 635 64 64 ASP HA H 4.454 0.030 1 636 64 64 ASP HB2 H 2.709 0.030 2 637 64 64 ASP HB3 H 2.993 0.030 2 638 64 64 ASP C C 177.071 0.300 1 639 64 64 ASP CA C 53.216 0.300 1 640 64 64 ASP CB C 40.848 0.300 1 641 64 64 ASP N N 126.872 0.300 1 642 65 65 ASN H H 8.121 0.030 1 643 65 65 ASN HA H 4.581 0.030 1 644 65 65 ASN HB2 H 2.665 0.030 2 645 65 65 ASN HB3 H 2.847 0.030 2 646 65 65 ASN HD21 H 7.104 0.030 2 647 65 65 ASN HD22 H 7.326 0.030 2 648 65 65 ASN C C 176.562 0.300 1 649 65 65 ASN CA C 54.795 0.300 1 650 65 65 ASN CB C 38.170 0.300 1 651 65 65 ASN N N 124.778 0.300 1 652 65 65 ASN ND2 N 113.525 0.300 1 653 66 66 GLY H H 9.169 0.030 1 654 66 66 GLY HA2 H 3.748 0.030 2 655 66 66 GLY HA3 H 3.986 0.030 2 656 66 66 GLY C C 173.356 0.300 1 657 66 66 GLY CA C 46.048 0.300 1 658 66 66 GLY N N 109.614 0.300 1 659 67 67 ASP H H 7.841 0.030 1 660 67 67 ASP HA H 4.710 0.030 1 661 67 67 ASP HB2 H 2.369 0.030 2 662 67 67 ASP HB3 H 2.984 0.030 2 663 67 67 ASP C C 176.558 0.300 1 664 67 67 ASP CA C 51.943 0.300 1 665 67 67 ASP CB C 41.180 0.300 1 666 67 67 ASP N N 118.188 0.300 1 667 68 68 GLY H H 8.716 0.030 1 668 68 68 GLY HA2 H 3.650 0.030 2 669 68 68 GLY HA3 H 4.263 0.030 2 670 68 68 GLY C C 172.303 0.300 1 671 68 68 GLY CA C 45.625 0.300 1 672 68 68 GLY N N 109.721 0.300 1 673 69 69 THR H H 7.953 0.030 1 674 69 69 THR HA H 5.640 0.030 1 675 69 69 THR HB H 4.122 0.030 1 676 69 69 THR HG2 H 1.039 0.030 1 677 69 69 THR C C 173.428 0.300 1 678 69 69 THR CA C 59.509 0.300 1 679 69 69 THR CB C 73.094 0.300 1 680 69 69 THR CG2 C 20.374 0.300 1 681 69 69 THR N N 108.701 0.300 1 682 70 70 TYR H H 9.201 0.030 1 683 70 70 TYR HA H 5.415 0.030 1 684 70 70 TYR HB2 H 2.496 0.030 2 685 70 70 TYR HB3 H 2.615 0.030 2 686 70 70 TYR HD1 H 6.801 0.030 1 687 70 70 TYR HD2 H 6.801 0.030 1 688 70 70 TYR HE1 H 6.746 0.030 1 689 70 70 TYR HE2 H 6.746 0.030 1 690 70 70 TYR C C 175.500 0.300 1 691 70 70 TYR CA C 56.273 0.300 1 692 70 70 TYR CB C 42.133 0.300 1 693 70 70 TYR CD1 C 133.035 0.300 1 694 70 70 TYR CD2 C 133.035 0.300 1 695 70 70 TYR CE1 C 117.896 0.300 1 696 70 70 TYR CE2 C 117.896 0.300 1 697 70 70 TYR N N 117.659 0.300 1 698 71 71 THR H H 9.233 0.030 1 699 71 71 THR HA H 4.918 0.030 1 700 71 71 THR HB H 3.836 0.030 1 701 71 71 THR HG2 H 1.086 0.030 1 702 71 71 THR C C 173.571 0.300 1 703 71 71 THR CA C 62.297 0.300 1 704 71 71 THR CB C 70.706 0.300 1 705 71 71 THR CG2 C 22.102 0.300 1 706 71 71 THR N N 120.725 0.300 1 707 72 72 VAL H H 9.216 0.030 1 708 72 72 VAL HA H 4.882 0.030 1 709 72 72 VAL HB H 0.048 0.030 1 710 72 72 VAL HG1 H 0.504 0.030 1 711 72 72 VAL HG2 H 0.466 0.030 1 712 72 72 VAL C C 173.717 0.300 1 713 72 72 VAL CA C 59.966 0.300 1 714 72 72 VAL CB C 32.148 0.300 1 715 72 72 VAL CG1 C 22.443 0.300 2 716 72 72 VAL CG2 C 21.462 0.300 2 717 72 72 VAL N N 131.038 0.300 1 718 73 73 SER H H 8.865 0.030 1 719 73 73 SER HA H 5.730 0.030 1 720 73 73 SER HB2 H 3.791 0.030 2 721 73 73 SER HB3 H 3.750 0.030 2 722 73 73 SER C C 173.492 0.300 1 723 73 73 SER CA C 55.687 0.300 1 724 73 73 SER CB C 66.320 0.300 1 725 73 73 SER N N 118.839 0.300 1 726 74 74 TYR H H 8.740 0.030 1 727 74 74 TYR HA H 4.894 0.030 1 728 74 74 TYR HB2 H 2.672 0.030 2 729 74 74 TYR HB3 H 2.992 0.030 2 730 74 74 TYR HD1 H 6.451 0.030 1 731 74 74 TYR HD2 H 6.451 0.030 1 732 74 74 TYR HE1 H 6.060 0.030 1 733 74 74 TYR HE2 H 6.060 0.030 1 734 74 74 TYR C C 171.639 0.300 1 735 74 74 TYR CA C 56.253 0.300 1 736 74 74 TYR CB C 40.731 0.300 1 737 74 74 TYR CD1 C 132.579 0.300 1 738 74 74 TYR CD2 C 132.579 0.300 1 739 74 74 TYR CE1 C 116.867 0.300 1 740 74 74 TYR CE2 C 116.867 0.300 1 741 74 74 TYR N N 118.859 0.300 1 742 75 75 LEU H H 8.679 0.030 1 743 75 75 LEU HA H 4.824 0.030 1 744 75 75 LEU HB2 H 1.927 0.030 2 745 75 75 LEU HB3 H 1.266 0.030 2 746 75 75 LEU HD1 H 0.546 0.030 1 747 75 75 LEU HD2 H 0.717 0.030 1 748 75 75 LEU HG H 1.192 0.030 1 749 75 75 LEU C C 174.171 0.300 1 750 75 75 LEU CA C 51.158 0.300 1 751 75 75 LEU CB C 43.697 0.300 1 752 75 75 LEU CD1 C 23.306 0.300 2 753 75 75 LEU CD2 C 24.729 0.300 2 754 75 75 LEU CG C 28.274 0.300 1 755 75 75 LEU N N 121.168 0.300 1 756 76 76 PRO HA H 4.685 0.030 1 757 76 76 PRO HB2 H 1.827 0.030 2 758 76 76 PRO HB3 H 0.977 0.030 2 759 76 76 PRO HD2 H 3.945 0.030 2 760 76 76 PRO HD3 H 3.025 0.030 2 761 76 76 PRO HG2 H 1.707 0.030 2 762 76 76 PRO HG3 H 2.173 0.030 2 763 76 76 PRO C C 174.505 0.300 1 764 76 76 PRO CA C 61.659 0.300 1 765 76 76 PRO CB C 29.937 0.300 1 766 76 76 PRO CD C 50.510 0.300 1 767 76 76 PRO CG C 26.973 0.300 1 768 77 77 ASP H H 8.494 0.030 1 769 77 77 ASP HA H 4.166 0.030 1 770 77 77 ASP HB2 H 2.534 0.030 2 771 77 77 ASP HB3 H 2.755 0.030 2 772 77 77 ASP C C 175.196 0.300 1 773 77 77 ASP CA C 55.619 0.300 1 774 77 77 ASP CB C 40.238 0.300 1 775 77 77 ASP N N 124.478 0.300 1 776 78 78 MET H H 7.621 0.030 1 777 78 78 MET HA H 4.668 0.030 1 778 78 78 MET HB2 H 2.018 0.030 1 779 78 78 MET HB3 H 2.018 0.030 1 780 78 78 MET HE H 2.052 0.030 1 781 78 78 MET HG2 H 2.574 0.030 2 782 78 78 MET HG3 H 2.491 0.030 2 783 78 78 MET C C 176.436 0.300 1 784 78 78 MET CA C 54.271 0.300 1 785 78 78 MET CB C 35.490 0.300 1 786 78 78 MET CE C 16.897 0.300 1 787 78 78 MET CG C 31.041 0.300 1 788 78 78 MET N N 116.752 0.300 1 789 79 79 SER H H 8.782 0.030 1 790 79 79 SER HA H 4.408 0.030 1 791 79 79 SER HB2 H 3.743 0.030 2 792 79 79 SER HB3 H 3.957 0.030 2 793 79 79 SER C C 173.159 0.300 1 794 79 79 SER CA C 59.088 0.300 1 795 79 79 SER CB C 63.844 0.300 1 796 79 79 SER N N 118.924 0.300 1 797 80 80 GLY H H 9.021 0.030 1 798 80 80 GLY HA2 H 3.826 0.030 2 799 80 80 GLY HA3 H 4.640 0.030 2 800 80 80 GLY C C 172.483 0.300 1 801 80 80 GLY CA C 43.659 0.300 1 802 80 80 GLY N N 109.250 0.300 1 803 81 81 ARG H H 8.585 0.030 1 804 81 81 ARG HA H 4.615 0.030 1 805 81 81 ARG HB2 H 1.533 0.030 2 806 81 81 ARG HB3 H 1.660 0.030 2 807 81 81 ARG HD2 H 2.980 0.030 1 808 81 81 ARG HD3 H 2.980 0.030 1 809 81 81 ARG HG2 H 1.161 0.030 1 810 81 81 ARG HG3 H 1.161 0.030 1 811 81 81 ARG C C 175.060 0.300 1 812 81 81 ARG CA C 56.570 0.300 1 813 81 81 ARG CB C 31.390 0.300 1 814 81 81 ARG CD C 43.730 0.300 1 815 81 81 ARG CG C 27.088 0.300 1 816 81 81 ARG N N 120.507 0.300 1 817 82 82 TYR H H 9.663 0.030 1 818 82 82 TYR HA H 4.706 0.030 1 819 82 82 TYR HB2 H 2.386 0.030 2 820 82 82 TYR HB3 H 3.020 0.030 2 821 82 82 TYR HD1 H 7.151 0.030 1 822 82 82 TYR HD2 H 7.151 0.030 1 823 82 82 TYR HE1 H 6.847 0.030 1 824 82 82 TYR HE2 H 6.847 0.030 1 825 82 82 TYR C C 175.821 0.300 1 826 82 82 TYR CA C 57.197 0.300 1 827 82 82 TYR CB C 40.087 0.300 1 828 82 82 TYR CD1 C 133.186 0.300 1 829 82 82 TYR CD2 C 133.186 0.300 1 830 82 82 TYR CE1 C 117.267 0.300 1 831 82 82 TYR CE2 C 117.267 0.300 1 832 82 82 TYR N N 127.777 0.300 1 833 83 83 THR H H 8.768 0.030 1 834 83 83 THR HA H 5.003 0.030 1 835 83 83 THR HB H 3.886 0.030 1 836 83 83 THR HG2 H 1.043 0.030 1 837 83 83 THR C C 174.565 0.300 1 838 83 83 THR CA C 62.088 0.300 1 839 83 83 THR CB C 70.110 0.300 1 840 83 83 THR CG2 C 21.412 0.300 1 841 83 83 THR N N 117.284 0.300 1 842 84 84 ILE H H 9.672 0.030 1 843 84 84 ILE HA H 4.848 0.030 1 844 84 84 ILE HB H 1.855 0.030 1 845 84 84 ILE HD1 H 0.436 0.030 1 846 84 84 ILE HG12 H 1.350 0.030 2 847 84 84 ILE HG13 H 0.657 0.030 2 848 84 84 ILE HG2 H 0.594 0.030 1 849 84 84 ILE C C 174.640 0.300 1 850 84 84 ILE CA C 61.204 0.300 1 851 84 84 ILE CB C 39.906 0.300 1 852 84 84 ILE CD1 C 13.553 0.300 1 853 84 84 ILE CG1 C 27.620 0.300 1 854 84 84 ILE CG2 C 16.538 0.300 1 855 84 84 ILE N N 130.430 0.300 1 856 85 85 THR H H 9.327 0.030 1 857 85 85 THR HA H 4.700 0.030 1 858 85 85 THR HB H 3.924 0.030 1 859 85 85 THR HG2 H 1.077 0.030 1 860 85 85 THR C C 174.767 0.300 1 861 85 85 THR CA C 62.584 0.300 1 862 85 85 THR CB C 69.939 0.300 1 863 85 85 THR CG2 C 20.535 0.300 1 864 85 85 THR N N 126.246 0.300 1 865 86 86 ILE H H 8.965 0.030 1 866 86 86 ILE HA H 4.948 0.030 1 867 86 86 ILE HB H 1.720 0.030 1 868 86 86 ILE HD1 H 0.807 0.030 1 869 86 86 ILE HG12 H 1.039 0.030 2 870 86 86 ILE HG13 H 1.752 0.030 2 871 86 86 ILE HG2 H 0.920 0.030 1 872 86 86 ILE C C 173.763 0.300 1 873 86 86 ILE CA C 60.492 0.300 1 874 86 86 ILE CB C 40.701 0.300 1 875 86 86 ILE CD1 C 14.949 0.300 1 876 86 86 ILE CG1 C 27.742 0.300 1 877 86 86 ILE CG2 C 18.227 0.300 1 878 86 86 ILE N N 128.709 0.300 1 879 87 87 LYS H H 8.727 0.030 1 880 87 87 LYS HA H 5.111 0.030 1 881 87 87 LYS HB2 H 1.005 0.030 2 882 87 87 LYS HB3 H 1.586 0.030 2 883 87 87 LYS HD2 H 1.293 0.030 2 884 87 87 LYS HD3 H 1.347 0.030 2 885 87 87 LYS HE2 H 2.622 0.030 1 886 87 87 LYS HE3 H 2.622 0.030 1 887 87 87 LYS HG2 H 0.730 0.030 2 888 87 87 LYS HG3 H 1.140 0.030 2 889 87 87 LYS C C 173.784 0.300 1 890 87 87 LYS CA C 54.013 0.300 1 891 87 87 LYS CB C 36.947 0.300 1 892 87 87 LYS CD C 29.632 0.300 1 893 87 87 LYS CE C 42.263 0.300 1 894 87 87 LYS CG C 25.589 0.300 1 895 87 87 LYS N N 124.807 0.300 1 896 88 88 TYR H H 9.159 0.030 1 897 88 88 TYR HA H 5.066 0.030 1 898 88 88 TYR HB2 H 2.422 0.030 2 899 88 88 TYR HB3 H 2.789 0.030 2 900 88 88 TYR HD1 H 6.556 0.030 1 901 88 88 TYR HD2 H 6.556 0.030 1 902 88 88 TYR HE1 H 6.542 0.030 1 903 88 88 TYR HE2 H 6.542 0.030 1 904 88 88 TYR C C 176.078 0.300 1 905 88 88 TYR CA C 57.242 0.300 1 906 88 88 TYR CB C 43.336 0.300 1 907 88 88 TYR CD1 C 130.908 0.300 1 908 88 88 TYR CD2 C 130.908 0.300 1 909 88 88 TYR CE1 C 118.750 0.300 1 910 88 88 TYR CE2 C 118.750 0.300 1 911 88 88 TYR N N 121.682 0.300 1 912 89 89 GLY H H 8.662 0.030 1 913 89 89 GLY HA2 H 2.302 0.030 2 914 89 89 GLY HA3 H 3.456 0.030 2 915 89 89 GLY C C 174.093 0.300 1 916 89 89 GLY CA C 45.286 0.300 1 917 89 89 GLY N N 114.751 0.300 1 918 90 90 GLY H H 7.975 0.030 1 919 90 90 GLY HA2 H 3.291 0.030 2 920 90 90 GLY HA3 H 4.222 0.030 2 921 90 90 GLY C C 172.492 0.300 1 922 90 90 GLY CA C 44.402 0.300 1 923 90 90 GLY N N 102.704 0.300 1 924 91 91 ASP H H 7.239 0.030 1 925 91 91 ASP HA H 5.021 0.030 1 926 91 91 ASP HB2 H 2.734 0.030 2 927 91 91 ASP HB3 H 2.800 0.030 2 928 91 91 ASP C C 174.644 0.300 1 929 91 91 ASP CA C 52.856 0.300 1 930 91 91 ASP CB C 43.663 0.300 1 931 91 91 ASP N N 119.956 0.300 1 932 92 92 GLU H H 9.072 0.030 1 933 92 92 GLU HA H 4.483 0.030 1 934 92 92 GLU HB2 H 1.792 0.030 2 935 92 92 GLU HB3 H 2.062 0.030 2 936 92 92 GLU HG2 H 2.324 0.030 2 937 92 92 GLU HG3 H 2.407 0.030 2 938 92 92 GLU C C 176.820 0.300 1 939 92 92 GLU CA C 58.359 0.300 1 940 92 92 GLU CB C 30.207 0.300 1 941 92 92 GLU CG C 37.849 0.300 1 942 92 92 GLU N N 124.913 0.300 1 943 93 93 ILE H H 7.767 0.030 1 944 93 93 ILE HA H 4.483 0.030 1 945 93 93 ILE HB H 2.250 0.030 1 946 93 93 ILE HD1 H 0.905 0.030 1 947 93 93 ILE HG12 H 1.268 0.030 2 948 93 93 ILE HG13 H 1.578 0.030 2 949 93 93 ILE HG2 H 0.989 0.030 1 950 93 93 ILE C C 173.151 0.300 1 951 93 93 ILE CA C 60.544 0.300 1 952 93 93 ILE CB C 36.197 0.300 1 953 93 93 ILE CD1 C 15.442 0.300 1 954 93 93 ILE CG1 C 24.736 0.300 1 955 93 93 ILE CG2 C 17.377 0.300 1 956 93 93 ILE N N 119.306 0.300 1 957 94 94 PRO HA H 4.059 0.030 1 958 94 94 PRO HB2 H 1.747 0.030 2 959 94 94 PRO HB3 H 1.982 0.030 2 960 94 94 PRO HD2 H 4.344 0.030 2 961 94 94 PRO HD3 H 3.617 0.030 2 962 94 94 PRO HG2 H 2.254 0.030 2 963 94 94 PRO HG3 H 1.848 0.030 2 964 94 94 PRO C C 176.485 0.300 1 965 94 94 PRO CA C 64.704 0.300 1 966 94 94 PRO CB C 31.161 0.300 1 967 94 94 PRO CD C 51.364 0.300 1 968 94 94 PRO CG C 28.508 0.300 1 969 95 95 TYR H H 8.016 0.030 1 970 95 95 TYR HA H 3.584 0.030 1 971 95 95 TYR HB2 H 2.794 0.030 2 972 95 95 TYR HB3 H 3.476 0.030 2 973 95 95 TYR HD1 H 7.098 0.030 1 974 95 95 TYR HD2 H 7.098 0.030 1 975 95 95 TYR HE1 H 6.884 0.030 1 976 95 95 TYR HE2 H 6.884 0.030 1 977 95 95 TYR C C 172.601 0.300 1 978 95 95 TYR CA C 60.969 0.300 1 979 95 95 TYR CB C 35.393 0.300 1 980 95 95 TYR CD1 C 132.986 0.300 1 981 95 95 TYR CD2 C 132.986 0.300 1 982 95 95 TYR CE1 C 118.059 0.300 1 983 95 95 TYR CE2 C 118.059 0.300 1 984 95 95 TYR N N 113.862 0.300 1 985 96 96 SER H H 7.008 0.030 1 986 96 96 SER HA H 4.288 0.030 1 987 96 96 SER HB2 H 3.659 0.030 2 988 96 96 SER HB3 H 4.267 0.030 2 989 96 96 SER C C 174.098 0.300 1 990 96 96 SER CA C 55.120 0.300 1 991 96 96 SER CB C 64.377 0.300 1 992 96 96 SER N N 111.622 0.300 1 993 97 97 PRO HA H 5.454 0.030 1 994 97 97 PRO HB2 H 1.497 0.030 2 995 97 97 PRO HB3 H 2.225 0.030 2 996 97 97 PRO HD2 H 3.457 0.030 2 997 97 97 PRO HD3 H 3.573 0.030 2 998 97 97 PRO HG2 H 1.781 0.030 2 999 97 97 PRO HG3 H 1.884 0.030 2 1000 97 97 PRO C C 176.001 0.300 1 1001 97 97 PRO CA C 61.965 0.300 1 1002 97 97 PRO CB C 33.707 0.300 1 1003 97 97 PRO CD C 50.466 0.300 1 1004 97 97 PRO CG C 24.399 0.300 1 1005 98 98 PHE H H 9.446 0.030 1 1006 98 98 PHE HA H 4.547 0.030 1 1007 98 98 PHE HB2 H 2.799 0.030 2 1008 98 98 PHE HB3 H 2.749 0.030 2 1009 98 98 PHE HD1 H 7.209 0.030 1 1010 98 98 PHE HD2 H 7.209 0.030 1 1011 98 98 PHE HE1 H 7.099 0.030 1 1012 98 98 PHE HE2 H 7.099 0.030 1 1013 98 98 PHE HZ H 7.267 0.030 1 1014 98 98 PHE C C 175.845 0.300 1 1015 98 98 PHE CA C 57.101 0.300 1 1016 98 98 PHE CB C 40.591 0.300 1 1017 98 98 PHE CD1 C 132.169 0.300 1 1018 98 98 PHE CD2 C 132.169 0.300 1 1019 98 98 PHE CE1 C 130.797 0.300 1 1020 98 98 PHE CE2 C 130.797 0.300 1 1021 98 98 PHE CZ C 130.021 0.300 1 1022 98 98 PHE N N 122.188 0.300 1 1023 99 99 ARG H H 8.890 0.030 1 1024 99 99 ARG HA H 5.280 0.030 1 1025 99 99 ARG HB2 H 1.432 0.030 2 1026 99 99 ARG HB3 H 1.840 0.030 2 1027 99 99 ARG HD2 H 3.090 0.030 1 1028 99 99 ARG HD3 H 3.090 0.030 1 1029 99 99 ARG HG2 H 1.477 0.030 2 1030 99 99 ARG HG3 H 1.564 0.030 2 1031 99 99 ARG C C 174.953 0.300 1 1032 99 99 ARG CA C 54.992 0.300 1 1033 99 99 ARG CB C 30.332 0.300 1 1034 99 99 ARG CD C 43.384 0.300 1 1035 99 99 ARG CG C 27.954 0.300 1 1036 99 99 ARG N N 124.405 0.300 1 1037 100 100 ILE H H 8.632 0.030 1 1038 100 100 ILE HA H 4.617 0.030 1 1039 100 100 ILE HB H 1.914 0.030 1 1040 100 100 ILE HD1 H 0.574 0.030 1 1041 100 100 ILE HG12 H 1.369 0.030 1 1042 100 100 ILE HG13 H 1.369 0.030 1 1043 100 100 ILE HG2 H 0.826 0.030 1 1044 100 100 ILE C C 174.830 0.300 1 1045 100 100 ILE CA C 57.455 0.300 1 1046 100 100 ILE CB C 39.902 0.300 1 1047 100 100 ILE CD1 C 11.215 0.300 1 1048 100 100 ILE CG1 C 26.758 0.300 1 1049 100 100 ILE CG2 C 17.884 0.300 1 1050 100 100 ILE N N 125.945 0.300 1 1051 101 101 HIS H H 9.034 0.030 1 1052 101 101 HIS HA H 5.028 0.030 1 1053 101 101 HIS HB2 H 3.008 0.030 2 1054 101 101 HIS HB3 H 2.909 0.030 2 1055 101 101 HIS HD2 H 6.807 0.030 1 1056 101 101 HIS HE1 H 7.697 0.030 1 1057 101 101 HIS C C 173.532 0.300 1 1058 101 101 HIS CA C 55.615 0.300 1 1059 101 101 HIS CB C 31.944 0.300 1 1060 101 101 HIS CD2 C 120.378 0.300 1 1061 101 101 HIS CE1 C 138.267 0.300 1 1062 101 101 HIS N N 126.896 0.300 1 1063 102 102 ALA H H 9.406 0.030 1 1064 102 102 ALA HA H 5.476 0.030 1 1065 102 102 ALA HB H 1.487 0.030 1 1066 102 102 ALA C C 177.347 0.300 1 1067 102 102 ALA CA C 49.885 0.300 1 1068 102 102 ALA CB C 20.371 0.300 1 1069 102 102 ALA N N 128.244 0.300 1 1070 103 103 LEU H H 9.338 0.030 1 1071 103 103 LEU HA H 4.644 0.030 1 1072 103 103 LEU HB2 H 1.561 0.030 1 1073 103 103 LEU HB3 H 1.561 0.030 1 1074 103 103 LEU HD1 H 0.852 0.030 1 1075 103 103 LEU HD2 H 0.803 0.030 1 1076 103 103 LEU HG H 1.605 0.030 1 1077 103 103 LEU C C 174.657 0.300 1 1078 103 103 LEU CA C 52.679 0.300 1 1079 103 103 LEU CB C 42.352 0.300 1 1080 103 103 LEU CD1 C 25.239 0.300 2 1081 103 103 LEU CD2 C 23.057 0.300 2 1082 103 103 LEU CG C 27.372 0.300 1 1083 103 103 LEU N N 127.040 0.300 1 1084 104 104 PRO HA H 4.598 0.030 1 1085 104 104 PRO HB2 H 1.990 0.030 2 1086 104 104 PRO HB3 H 2.298 0.030 2 1087 104 104 PRO HD2 H 3.896 0.030 2 1088 104 104 PRO HD3 H 3.693 0.030 2 1089 104 104 PRO HG2 H 2.083 0.030 1 1090 104 104 PRO HG3 H 2.083 0.030 1 1091 104 104 PRO C C 177.158 0.300 1 1092 104 104 PRO CA C 62.867 0.300 1 1093 104 104 PRO CB C 31.993 0.300 1 1094 104 104 PRO CD C 50.458 0.300 1 1095 104 104 PRO CG C 27.580 0.300 1 1096 105 105 THR H H 8.381 0.030 1 1097 105 105 THR HA H 4.324 0.030 1 1098 105 105 THR HB H 4.207 0.030 1 1099 105 105 THR HG2 H 1.250 0.030 1 1100 105 105 THR C C 175.320 0.300 1 1101 105 105 THR CA C 62.088 0.300 1 1102 105 105 THR CB C 70.002 0.300 1 1103 105 105 THR CG2 C 21.773 0.300 1 1104 105 105 THR N N 114.964 0.300 1 1105 106 106 GLY H H 8.440 0.030 1 1106 106 106 GLY HA2 H 3.966 0.030 1 1107 106 106 GLY HA3 H 3.966 0.030 1 1108 106 106 GLY C C 173.888 0.300 1 1109 106 106 GLY CA C 45.321 0.300 1 1110 106 106 GLY N N 111.215 0.300 1 1111 107 107 ASP H H 8.252 0.030 1 1112 107 107 ASP HA H 4.588 0.030 1 1113 107 107 ASP HB2 H 2.688 0.030 2 1114 107 107 ASP HB3 H 2.623 0.030 2 1115 107 107 ASP C C 176.336 0.300 1 1116 107 107 ASP CA C 54.271 0.300 1 1117 107 107 ASP CB C 41.439 0.300 1 1118 107 107 ASP N N 120.753 0.300 1 1119 108 108 ALA H H 8.382 0.030 1 1120 108 108 ALA HA H 4.334 0.030 1 1121 108 108 ALA HB H 1.404 0.030 1 1122 108 108 ALA C C 178.071 0.300 1 1123 108 108 ALA CA C 52.785 0.300 1 1124 108 108 ALA CB C 19.047 0.300 1 1125 108 108 ALA N N 124.839 0.300 1 1126 109 109 SER H H 8.358 0.030 1 1127 109 109 SER HA H 4.429 0.030 1 1128 109 109 SER HB2 H 3.891 0.030 1 1129 109 109 SER HB3 H 3.891 0.030 1 1130 109 109 SER C C 174.759 0.300 1 1131 109 109 SER CA C 58.763 0.300 1 1132 109 109 SER CB C 63.730 0.300 1 1133 109 109 SER N N 114.983 0.300 1 1134 110 110 SER H H 8.239 0.030 1 1135 110 110 SER HA H 4.507 0.030 1 1136 110 110 SER HB2 H 3.884 0.030 1 1137 110 110 SER HB3 H 3.884 0.030 1 1138 110 110 SER C C 174.532 0.300 1 1139 110 110 SER CA C 58.374 0.300 1 1140 110 110 SER CB C 63.894 0.300 1 1141 110 110 SER N N 117.438 0.300 1 1142 111 111 GLY H H 8.185 0.030 1 1143 111 111 GLY HA2 H 4.148 0.030 2 1144 111 111 GLY HA3 H 4.092 0.030 2 1145 111 111 GLY C C 171.766 0.300 1 1146 111 111 GLY CA C 44.649 0.300 1 1147 111 111 GLY N N 110.558 0.300 1 1148 112 112 PRO HA H 4.464 0.030 1 1149 112 112 PRO HB2 H 1.965 0.030 2 1150 112 112 PRO HB3 H 2.272 0.030 2 1151 112 112 PRO HD2 H 3.617 0.030 1 1152 112 112 PRO HD3 H 3.617 0.030 1 1153 112 112 PRO HG2 H 2.006 0.030 1 1154 112 112 PRO HG3 H 2.006 0.030 1 1155 112 112 PRO C C 177.410 0.300 1 1156 112 112 PRO CA C 63.185 0.300 1 1157 112 112 PRO CB C 32.323 0.300 1 1158 112 112 PRO CD C 49.799 0.300 1 1159 112 112 PRO CG C 27.138 0.300 1 1160 113 113 SER H H 8.535 0.030 1 1161 113 113 SER HA H 4.533 0.030 1 1162 113 113 SER HB2 H 3.883 0.030 1 1163 113 113 SER HB3 H 3.883 0.030 1 1164 113 113 SER C C 174.739 0.300 1 1165 113 113 SER CA C 58.233 0.300 1 1166 113 113 SER CB C 63.730 0.300 1 1167 113 113 SER N N 116.537 0.300 1 1168 114 114 SER H H 8.490 0.030 1 1169 114 114 SER HA H 4.534 0.030 1 1170 114 114 SER HB2 H 3.892 0.030 1 1171 114 114 SER HB3 H 3.892 0.030 1 1172 114 114 SER C C 174.899 0.300 1 1173 114 114 SER CA C 58.516 0.300 1 1174 114 114 SER CB C 64.142 0.300 1 1175 114 114 SER N N 117.902 0.300 1 1176 115 115 GLY H H 8.049 0.030 1 1177 115 115 GLY HA2 H 3.785 0.030 2 1178 115 115 GLY HA3 H 3.744 0.030 2 1179 115 115 GLY C C 179.077 0.300 1 1180 115 115 GLY CA C 46.184 0.300 1 1181 115 115 GLY N N 116.880 0.300 1 stop_ save_