data_10331 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the 22th Filamin domain from human Filamin C ; _BMRB_accession_number 10331 _BMRB_flat_file_name bmr10331.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" 590 "13C chemical shifts" 446 "15N chemical shifts" 108 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 22th 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 112 _Mol_residue_sequence ; GSSGSSGSDDARRLTVTSLQ ETGLKVNQPASFAVQLNGAR GVIDARVHTPSGAVEECYVS ELDSDKHTIRFIPHENGVHS IDVKFNGAHIPGSPFKIRVG EQSQAGSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 SER 9 ASP 10 ASP 11 ALA 12 ARG 13 ARG 14 LEU 15 THR 16 VAL 17 THR 18 SER 19 LEU 20 GLN 21 GLU 22 THR 23 GLY 24 LEU 25 LYS 26 VAL 27 ASN 28 GLN 29 PRO 30 ALA 31 SER 32 PHE 33 ALA 34 VAL 35 GLN 36 LEU 37 ASN 38 GLY 39 ALA 40 ARG 41 GLY 42 VAL 43 ILE 44 ASP 45 ALA 46 ARG 47 VAL 48 HIS 49 THR 50 PRO 51 SER 52 GLY 53 ALA 54 VAL 55 GLU 56 GLU 57 CYS 58 TYR 59 VAL 60 SER 61 GLU 62 LEU 63 ASP 64 SER 65 ASP 66 LYS 67 HIS 68 THR 69 ILE 70 ARG 71 PHE 72 ILE 73 PRO 74 HIS 75 GLU 76 ASN 77 GLY 78 VAL 79 HIS 80 SER 81 ILE 82 ASP 83 VAL 84 LYS 85 PHE 86 ASN 87 GLY 88 ALA 89 HIS 90 ILE 91 PRO 92 GLY 93 SER 94 PRO 95 PHE 96 LYS 97 ILE 98 ARG 99 VAL 100 GLY 101 GLU 102 GLN 103 SER 104 GLN 105 ALA 106 GLY 107 SER 108 GLY 109 PRO 110 SER 111 SER 112 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 2D7P "Solution Structure Of The 22th Filamin Domain From Human Filamin C" 100.00 112 100.00 100.00 1.08e-73 EMBL CDL67988 "putative filamin like protein, partial [Olea europaea]" 91.07 269 98.04 99.02 7.81e-63 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' . . . . plasmid P050404-13 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 1.24 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 3.858 0.030 1 2 1 1 GLY HA3 H 3.858 0.030 1 3 1 1 GLY CA C 43.716 0.300 1 4 4 4 GLY HA2 H 4.044 0.030 1 5 4 4 GLY HA3 H 4.044 0.030 1 6 4 4 GLY CA C 45.385 0.300 1 7 6 6 SER HA H 4.407 0.030 1 8 6 6 SER HB2 H 3.919 0.030 1 9 6 6 SER HB3 H 3.919 0.030 1 10 6 6 SER C C 175.173 0.300 1 11 6 6 SER CA C 58.471 0.300 1 12 6 6 SER CB C 63.698 0.300 1 13 7 7 GLY H H 8.540 0.030 1 14 7 7 GLY HA2 H 4.075 0.030 1 15 7 7 GLY HA3 H 4.075 0.030 1 16 7 7 GLY C C 174.862 0.300 1 17 7 7 GLY CA C 45.679 0.300 1 18 7 7 GLY N N 111.095 0.300 1 19 8 8 SER H H 8.374 0.030 1 20 8 8 SER HA H 4.425 0.030 1 21 8 8 SER HB2 H 3.979 0.030 2 22 8 8 SER HB3 H 3.892 0.030 2 23 8 8 SER C C 175.095 0.300 1 24 8 8 SER CA C 59.279 0.300 1 25 8 8 SER CB C 63.706 0.300 1 26 8 8 SER N N 115.877 0.300 1 27 9 9 ASP H H 8.481 0.030 1 28 9 9 ASP HA H 4.703 0.030 1 29 9 9 ASP HB2 H 2.767 0.030 1 30 9 9 ASP HB3 H 2.767 0.030 1 31 9 9 ASP C C 176.835 0.300 1 32 9 9 ASP CA C 55.203 0.300 1 33 9 9 ASP CB C 40.856 0.300 1 34 9 9 ASP N N 122.590 0.300 1 35 10 10 ASP H H 8.009 0.030 1 36 10 10 ASP HA H 4.528 0.030 1 37 10 10 ASP HB2 H 2.697 0.030 2 38 10 10 ASP HB3 H 2.779 0.030 2 39 10 10 ASP C C 176.612 0.300 1 40 10 10 ASP CA C 55.689 0.300 1 41 10 10 ASP CB C 41.820 0.300 1 42 10 10 ASP N N 120.264 0.300 1 43 11 11 ALA H H 8.401 0.030 1 44 11 11 ALA HA H 3.823 0.030 1 45 11 11 ALA HB H 1.654 0.030 1 46 11 11 ALA C C 177.939 0.300 1 47 11 11 ALA CA C 54.825 0.300 1 48 11 11 ALA CB C 19.513 0.300 1 49 11 11 ALA N N 123.073 0.300 1 50 12 12 ARG H H 7.760 0.030 1 51 12 12 ARG HA H 4.061 0.030 1 52 12 12 ARG HB2 H 1.932 0.030 1 53 12 12 ARG HB3 H 1.932 0.030 1 54 12 12 ARG HD2 H 3.276 0.030 2 55 12 12 ARG HD3 H 3.223 0.030 2 56 12 12 ARG HG2 H 1.752 0.030 1 57 12 12 ARG HG3 H 1.752 0.030 1 58 12 12 ARG C C 177.016 0.300 1 59 12 12 ARG CA C 57.462 0.300 1 60 12 12 ARG CB C 29.759 0.300 1 61 12 12 ARG CD C 43.450 0.300 1 62 12 12 ARG CG C 27.425 0.300 1 63 12 12 ARG N N 111.863 0.300 1 64 13 13 ARG H H 7.770 0.030 1 65 13 13 ARG HA H 4.152 0.030 1 66 13 13 ARG HB2 H 2.034 0.030 2 67 13 13 ARG HB3 H 1.784 0.030 2 68 13 13 ARG HD2 H 3.134 0.030 2 69 13 13 ARG HD3 H 3.284 0.030 2 70 13 13 ARG HG2 H 1.723 0.030 1 71 13 13 ARG HG3 H 1.723 0.030 1 72 13 13 ARG C C 176.232 0.300 1 73 13 13 ARG CA C 56.667 0.300 1 74 13 13 ARG CB C 30.963 0.300 1 75 13 13 ARG CD C 44.135 0.300 1 76 13 13 ARG CG C 27.418 0.300 1 77 13 13 ARG N N 117.034 0.300 1 78 14 14 LEU H H 7.080 0.030 1 79 14 14 LEU HA H 4.546 0.030 1 80 14 14 LEU HB2 H 1.475 0.030 2 81 14 14 LEU HB3 H 1.605 0.030 2 82 14 14 LEU HD1 H 0.446 0.030 1 83 14 14 LEU HD2 H 0.241 0.030 1 84 14 14 LEU HG H 1.708 0.030 1 85 14 14 LEU C C 177.487 0.300 1 86 14 14 LEU CA C 57.162 0.300 1 87 14 14 LEU CB C 42.858 0.300 1 88 14 14 LEU CD1 C 27.654 0.300 2 89 14 14 LEU CD2 C 23.471 0.300 2 90 14 14 LEU CG C 30.839 0.300 1 91 14 14 LEU N N 122.961 0.300 1 92 15 15 THR H H 8.421 0.030 1 93 15 15 THR HA H 4.751 0.030 1 94 15 15 THR HB H 4.273 0.030 1 95 15 15 THR HG2 H 1.110 0.030 1 96 15 15 THR C C 173.164 0.300 1 97 15 15 THR CA C 59.768 0.300 1 98 15 15 THR CB C 72.043 0.300 1 99 15 15 THR CG2 C 22.511 0.300 1 100 15 15 THR N N 111.429 0.300 1 101 16 16 VAL H H 8.550 0.030 1 102 16 16 VAL HA H 5.207 0.030 1 103 16 16 VAL HB H 1.889 0.030 1 104 16 16 VAL HG1 H 0.696 0.030 1 105 16 16 VAL HG2 H 0.798 0.030 1 106 16 16 VAL C C 176.259 0.300 1 107 16 16 VAL CA C 60.671 0.300 1 108 16 16 VAL CB C 34.523 0.300 1 109 16 16 VAL CG1 C 21.877 0.300 2 110 16 16 VAL CG2 C 21.891 0.300 2 111 16 16 VAL N N 120.112 0.300 1 112 17 17 THR H H 9.001 0.030 1 113 17 17 THR HA H 4.680 0.030 1 114 17 17 THR HB H 4.232 0.030 1 115 17 17 THR HG2 H 1.181 0.030 1 116 17 17 THR C C 173.424 0.300 1 117 17 17 THR CA C 60.696 0.300 1 118 17 17 THR CB C 71.127 0.300 1 119 17 17 THR CG2 C 21.604 0.300 1 120 17 17 THR N N 118.256 0.300 1 121 18 18 SER H H 8.513 0.030 1 122 18 18 SER HA H 4.077 0.030 1 123 18 18 SER HB2 H 4.163 0.030 2 124 18 18 SER HB3 H 4.033 0.030 2 125 18 18 SER C C 173.364 0.300 1 126 18 18 SER CA C 58.915 0.300 1 127 18 18 SER CB C 62.358 0.300 1 128 18 18 SER N N 113.306 0.300 1 129 19 19 LEU H H 7.987 0.030 1 130 19 19 LEU HA H 4.302 0.030 1 131 19 19 LEU HB2 H 1.504 0.030 2 132 19 19 LEU HB3 H 0.825 0.030 2 133 19 19 LEU HD1 H 0.120 0.030 1 134 19 19 LEU HD2 H 0.296 0.030 1 135 19 19 LEU HG H 1.006 0.030 1 136 19 19 LEU C C 176.025 0.300 1 137 19 19 LEU CA C 54.860 0.300 1 138 19 19 LEU CB C 42.139 0.300 1 139 19 19 LEU CD1 C 23.226 0.300 2 140 19 19 LEU CD2 C 24.938 0.300 2 141 19 19 LEU CG C 27.067 0.300 1 142 19 19 LEU N N 122.098 0.300 1 143 20 20 GLN H H 8.648 0.030 1 144 20 20 GLN HA H 4.431 0.030 1 145 20 20 GLN HB2 H 2.016 0.030 2 146 20 20 GLN HB3 H 2.107 0.030 2 147 20 20 GLN HE21 H 6.819 0.030 2 148 20 20 GLN HE22 H 7.535 0.030 2 149 20 20 GLN HG2 H 2.423 0.030 1 150 20 20 GLN HG3 H 2.423 0.030 1 151 20 20 GLN C C 174.949 0.300 1 152 20 20 GLN CA C 55.438 0.300 1 153 20 20 GLN CB C 29.031 0.300 1 154 20 20 GLN CG C 33.755 0.300 1 155 20 20 GLN N N 127.652 0.300 1 156 20 20 GLN NE2 N 111.321 0.300 1 157 21 21 GLU H H 8.639 0.030 1 158 21 21 GLU HA H 4.238 0.030 1 159 21 21 GLU HB2 H 2.229 0.030 2 160 21 21 GLU HB3 H 2.087 0.030 2 161 21 21 GLU HG2 H 2.316 0.030 1 162 21 21 GLU HG3 H 2.316 0.030 1 163 21 21 GLU C C 176.738 0.300 1 164 21 21 GLU CA C 58.343 0.300 1 165 21 21 GLU CB C 31.076 0.300 1 166 21 21 GLU CG C 37.151 0.300 1 167 21 21 GLU N N 122.640 0.300 1 168 22 22 THR H H 7.753 0.030 1 169 22 22 THR HA H 4.818 0.030 1 170 22 22 THR HB H 4.232 0.030 1 171 22 22 THR HG2 H 1.196 0.030 1 172 22 22 THR C C 174.436 0.300 1 173 22 22 THR CA C 60.723 0.300 1 174 22 22 THR CB C 71.125 0.300 1 175 22 22 THR CG2 C 21.644 0.300 1 176 22 22 THR N N 109.846 0.300 1 177 23 23 GLY H H 8.678 0.030 1 178 23 23 GLY HA2 H 4.152 0.030 2 179 23 23 GLY HA3 H 3.775 0.030 2 180 23 23 GLY C C 174.706 0.300 1 181 23 23 GLY CA C 45.584 0.300 1 182 23 23 GLY N N 109.509 0.300 1 183 24 24 LEU H H 7.945 0.030 1 184 24 24 LEU HA H 4.318 0.030 1 185 24 24 LEU HB2 H 1.722 0.030 2 186 24 24 LEU HB3 H 1.511 0.030 2 187 24 24 LEU HD1 H 0.802 0.030 1 188 24 24 LEU HD2 H 0.801 0.030 1 189 24 24 LEU HG H 1.587 0.030 1 190 24 24 LEU C C 176.806 0.300 1 191 24 24 LEU CA C 55.594 0.300 1 192 24 24 LEU CB C 42.609 0.300 1 193 24 24 LEU CD1 C 25.547 0.300 2 194 24 24 LEU CD2 C 23.997 0.300 2 195 24 24 LEU CG C 28.025 0.300 1 196 24 24 LEU N N 121.624 0.300 1 197 25 25 LYS H H 8.425 0.030 1 198 25 25 LYS HA H 4.634 0.030 1 199 25 25 LYS HB2 H 1.735 0.030 2 200 25 25 LYS HB3 H 1.458 0.030 2 201 25 25 LYS HD2 H 1.617 0.030 1 202 25 25 LYS HD3 H 1.617 0.030 1 203 25 25 LYS HE2 H 2.963 0.030 1 204 25 25 LYS HE3 H 2.963 0.030 1 205 25 25 LYS HG2 H 1.389 0.030 1 206 25 25 LYS HG3 H 1.389 0.030 1 207 25 25 LYS C C 176.010 0.300 1 208 25 25 LYS CA C 54.569 0.300 1 209 25 25 LYS CB C 35.517 0.300 1 210 25 25 LYS CD C 29.046 0.300 1 211 25 25 LYS CE C 42.268 0.300 1 212 25 25 LYS CG C 25.027 0.300 1 213 25 25 LYS N N 121.373 0.300 1 214 26 26 VAL H H 8.389 0.030 1 215 26 26 VAL HA H 3.249 0.030 1 216 26 26 VAL HB H 1.789 0.030 1 217 26 26 VAL HG1 H 0.730 0.030 1 218 26 26 VAL HG2 H 0.730 0.030 1 219 26 26 VAL C C 175.783 0.300 1 220 26 26 VAL CA C 63.976 0.300 1 221 26 26 VAL CB C 31.749 0.300 1 222 26 26 VAL CG1 C 21.348 0.300 1 223 26 26 VAL CG2 C 21.348 0.300 1 224 26 26 VAL N N 119.782 0.300 1 225 27 27 ASN H H 8.677 0.030 1 226 27 27 ASN HA H 4.103 0.030 1 227 27 27 ASN HB2 H 3.061 0.030 1 228 27 27 ASN HB3 H 3.061 0.030 1 229 27 27 ASN HD21 H 6.972 0.030 2 230 27 27 ASN HD22 H 7.625 0.030 2 231 27 27 ASN C C 173.357 0.300 1 232 27 27 ASN CA C 55.190 0.300 1 233 27 27 ASN CB C 37.129 0.300 1 234 27 27 ASN N N 116.095 0.300 1 235 27 27 ASN ND2 N 113.587 0.300 1 236 28 28 GLN H H 7.465 0.030 1 237 28 28 GLN HA H 4.825 0.030 1 238 28 28 GLN HB2 H 1.787 0.030 2 239 28 28 GLN HB3 H 2.105 0.030 2 240 28 28 GLN HE21 H 6.858 0.030 2 241 28 28 GLN HE22 H 7.517 0.030 2 242 28 28 GLN HG2 H 2.254 0.030 1 243 28 28 GLN HG3 H 2.254 0.030 1 244 28 28 GLN C C 172.951 0.300 1 245 28 28 GLN CA C 52.252 0.300 1 246 28 28 GLN CB C 29.854 0.300 1 247 28 28 GLN CG C 33.304 0.300 1 248 28 28 GLN N N 118.809 0.300 1 249 28 28 GLN NE2 N 111.960 0.300 1 250 29 29 PRO HA H 4.254 0.030 1 251 29 29 PRO HB2 H 1.932 0.030 2 252 29 29 PRO HB3 H 1.756 0.030 2 253 29 29 PRO HD2 H 3.634 0.030 2 254 29 29 PRO HD3 H 3.776 0.030 2 255 29 29 PRO HG2 H 1.836 0.030 2 256 29 29 PRO HG3 H 2.065 0.030 2 257 29 29 PRO C C 175.252 0.300 1 258 29 29 PRO CA C 63.557 0.300 1 259 29 29 PRO CB C 31.840 0.300 1 260 29 29 PRO CD C 50.349 0.300 1 261 29 29 PRO CG C 27.727 0.300 1 262 30 30 ALA H H 8.794 0.030 1 263 30 30 ALA HA H 4.565 0.030 1 264 30 30 ALA HB H 0.723 0.030 1 265 30 30 ALA C C 175.465 0.300 1 266 30 30 ALA CA C 50.571 0.300 1 267 30 30 ALA CB C 21.544 0.300 1 268 30 30 ALA N N 128.397 0.300 1 269 31 31 SER H H 8.270 0.030 1 270 31 31 SER HA H 5.870 0.030 1 271 31 31 SER HB2 H 3.664 0.030 1 272 31 31 SER HB3 H 3.664 0.030 1 273 31 31 SER C C 173.192 0.300 1 274 31 31 SER CA C 56.608 0.300 1 275 31 31 SER CB C 66.796 0.300 1 276 31 31 SER N N 113.071 0.300 1 277 32 32 PHE H H 8.816 0.030 1 278 32 32 PHE HA H 4.831 0.030 1 279 32 32 PHE HB2 H 3.121 0.030 1 280 32 32 PHE HB3 H 3.121 0.030 1 281 32 32 PHE HD1 H 6.936 0.030 1 282 32 32 PHE HD2 H 6.936 0.030 1 283 32 32 PHE HE1 H 6.801 0.030 1 284 32 32 PHE HE2 H 6.801 0.030 1 285 32 32 PHE HZ H 6.653 0.030 1 286 32 32 PHE C C 171.690 0.300 1 287 32 32 PHE CA C 56.478 0.300 1 288 32 32 PHE CB C 39.721 0.300 1 289 32 32 PHE CD1 C 132.918 0.300 1 290 32 32 PHE CD2 C 132.918 0.300 1 291 32 32 PHE CE1 C 130.148 0.300 1 292 32 32 PHE CE2 C 130.148 0.300 1 293 32 32 PHE CZ C 128.500 0.300 1 294 32 32 PHE N N 118.561 0.300 1 295 33 33 ALA H H 8.623 0.030 1 296 33 33 ALA HA H 5.419 0.030 1 297 33 33 ALA HB H 1.267 0.030 1 298 33 33 ALA C C 176.037 0.300 1 299 33 33 ALA CA C 50.577 0.300 1 300 33 33 ALA CB C 21.913 0.300 1 301 33 33 ALA N N 121.159 0.300 1 302 34 34 VAL H H 8.899 0.030 1 303 34 34 VAL HA H 4.831 0.030 1 304 34 34 VAL HB H 1.818 0.030 1 305 34 34 VAL HG1 H 0.843 0.030 1 306 34 34 VAL HG2 H 0.905 0.030 1 307 34 34 VAL C C 174.283 0.300 1 308 34 34 VAL CA C 60.193 0.300 1 309 34 34 VAL CB C 34.527 0.300 1 310 34 34 VAL CG1 C 21.753 0.300 2 311 34 34 VAL CG2 C 21.997 0.300 2 312 34 34 VAL N N 119.157 0.300 1 313 35 35 GLN H H 9.200 0.030 1 314 35 35 GLN HA H 4.697 0.030 1 315 35 35 GLN HB2 H 2.055 0.030 2 316 35 35 GLN HB3 H 2.153 0.030 2 317 35 35 GLN HE21 H 6.772 0.030 2 318 35 35 GLN HE22 H 7.828 0.030 2 319 35 35 GLN HG2 H 2.252 0.030 1 320 35 35 GLN HG3 H 2.252 0.030 1 321 35 35 GLN C C 175.449 0.300 1 322 35 35 GLN CA C 54.604 0.300 1 323 35 35 GLN CB C 29.005 0.300 1 324 35 35 GLN CG C 34.053 0.300 1 325 35 35 GLN N N 126.791 0.300 1 326 35 35 GLN NE2 N 112.157 0.300 1 327 36 36 LEU H H 8.521 0.030 1 328 36 36 LEU HA H 3.974 0.030 1 329 36 36 LEU HB2 H 1.768 0.030 1 330 36 36 LEU HB3 H 1.768 0.030 1 331 36 36 LEU HD1 H 1.017 0.030 1 332 36 36 LEU HD2 H 0.754 0.030 1 333 36 36 LEU HG H 1.498 0.030 1 334 36 36 LEU C C 177.708 0.300 1 335 36 36 LEU CA C 56.486 0.300 1 336 36 36 LEU CB C 40.195 0.300 1 337 36 36 LEU CD1 C 26.430 0.300 2 338 36 36 LEU CD2 C 23.327 0.300 2 339 36 36 LEU CG C 28.119 0.300 1 340 36 36 LEU N N 123.481 0.300 1 341 37 37 ASN H H 8.555 0.030 1 342 37 37 ASN HA H 4.333 0.030 1 343 37 37 ASN HB2 H 2.913 0.030 2 344 37 37 ASN HB3 H 2.729 0.030 2 345 37 37 ASN HD21 H 6.928 0.030 2 346 37 37 ASN HD22 H 7.958 0.030 2 347 37 37 ASN C C 176.399 0.300 1 348 37 37 ASN CA C 54.377 0.300 1 349 37 37 ASN CB C 37.704 0.300 1 350 37 37 ASN N N 114.466 0.300 1 351 37 37 ASN ND2 N 118.616 0.300 1 352 38 38 GLY H H 9.468 0.030 1 353 38 38 GLY HA2 H 4.189 0.030 2 354 38 38 GLY HA3 H 3.519 0.030 2 355 38 38 GLY C C 174.591 0.300 1 356 38 38 GLY CA C 45.110 0.300 1 357 38 38 GLY N N 105.471 0.300 1 358 39 39 ALA H H 7.590 0.030 1 359 39 39 ALA HA H 4.286 0.030 1 360 39 39 ALA HB H 1.175 0.030 1 361 39 39 ALA C C 176.542 0.300 1 362 39 39 ALA CA C 52.389 0.300 1 363 39 39 ALA CB C 20.413 0.300 1 364 39 39 ALA N N 124.721 0.300 1 365 40 40 ARG H H 8.805 0.030 1 366 40 40 ARG HA H 4.963 0.030 1 367 40 40 ARG HB2 H 1.754 0.030 1 368 40 40 ARG HB3 H 1.754 0.030 1 369 40 40 ARG HD2 H 3.154 0.030 2 370 40 40 ARG HD3 H 3.323 0.030 2 371 40 40 ARG HG2 H 1.523 0.030 2 372 40 40 ARG HG3 H 1.671 0.030 2 373 40 40 ARG C C 175.461 0.300 1 374 40 40 ARG CA C 54.197 0.300 1 375 40 40 ARG CB C 32.326 0.300 1 376 40 40 ARG CD C 43.333 0.300 1 377 40 40 ARG CG C 26.818 0.300 1 378 40 40 ARG N N 119.504 0.300 1 379 41 41 GLY H H 8.340 0.030 1 380 41 41 GLY HA2 H 3.836 0.030 2 381 41 41 GLY HA3 H 3.536 0.030 2 382 41 41 GLY C C 170.950 0.300 1 383 41 41 GLY CA C 45.910 0.300 1 384 41 41 GLY N N 112.245 0.300 1 385 42 42 VAL H H 7.328 0.030 1 386 42 42 VAL HA H 4.174 0.030 1 387 42 42 VAL HB H 1.770 0.030 1 388 42 42 VAL HG1 H 0.759 0.030 1 389 42 42 VAL HG2 H 0.830 0.030 1 390 42 42 VAL C C 175.506 0.300 1 391 42 42 VAL CA C 61.148 0.300 1 392 42 42 VAL CB C 34.229 0.300 1 393 42 42 VAL CG1 C 20.991 0.300 2 394 42 42 VAL CG2 C 20.825 0.300 2 395 42 42 VAL N N 118.642 0.300 1 396 43 43 ILE H H 8.551 0.030 1 397 43 43 ILE HA H 5.142 0.030 1 398 43 43 ILE HB H 1.474 0.030 1 399 43 43 ILE HD1 H 0.671 0.030 1 400 43 43 ILE HG12 H 1.359 0.030 2 401 43 43 ILE HG13 H 1.126 0.030 2 402 43 43 ILE HG2 H 0.569 0.030 1 403 43 43 ILE C C 174.157 0.300 1 404 43 43 ILE CA C 58.187 0.300 1 405 43 43 ILE CB C 38.762 0.300 1 406 43 43 ILE CD1 C 12.944 0.300 1 407 43 43 ILE CG1 C 28.105 0.300 1 408 43 43 ILE CG2 C 17.129 0.300 1 409 43 43 ILE N N 128.685 0.300 1 410 44 44 ASP H H 8.683 0.030 1 411 44 44 ASP HA H 4.778 0.030 1 412 44 44 ASP HB2 H 2.441 0.030 2 413 44 44 ASP HB3 H 2.367 0.030 2 414 44 44 ASP C C 173.640 0.300 1 415 44 44 ASP CA C 53.296 0.300 1 416 44 44 ASP CB C 45.416 0.300 1 417 44 44 ASP N N 126.617 0.300 1 418 45 45 ALA H H 8.605 0.030 1 419 45 45 ALA HA H 5.759 0.030 1 420 45 45 ALA HB H 1.140 0.030 1 421 45 45 ALA C C 175.415 0.300 1 422 45 45 ALA CA C 50.431 0.300 1 423 45 45 ALA CB C 22.130 0.300 1 424 45 45 ALA N N 126.482 0.300 1 425 46 46 ARG H H 8.511 0.030 1 426 46 46 ARG HA H 4.967 0.030 1 427 46 46 ARG HB2 H 1.560 0.030 1 428 46 46 ARG HB3 H 1.560 0.030 1 429 46 46 ARG HD2 H 3.012 0.030 1 430 46 46 ARG HD3 H 3.012 0.030 1 431 46 46 ARG HG2 H 1.481 0.030 1 432 46 46 ARG HG3 H 1.481 0.030 1 433 46 46 ARG C C 173.177 0.300 1 434 46 46 ARG CA C 54.673 0.300 1 435 46 46 ARG CB C 34.038 0.300 1 436 46 46 ARG CD C 43.334 0.300 1 437 46 46 ARG CG C 26.830 0.300 1 438 46 46 ARG N N 120.353 0.300 1 439 47 47 VAL H H 9.123 0.030 1 440 47 47 VAL HA H 4.724 0.030 1 441 47 47 VAL HB H 1.444 0.030 1 442 47 47 VAL HG1 H 0.364 0.030 1 443 47 47 VAL HG2 H 0.712 0.030 1 444 47 47 VAL C C 173.059 0.300 1 445 47 47 VAL CA C 59.414 0.300 1 446 47 47 VAL CB C 34.703 0.300 1 447 47 47 VAL CG1 C 22.350 0.300 2 448 47 47 VAL CG2 C 20.401 0.300 2 449 47 47 VAL N N 121.126 0.300 1 450 48 48 HIS H H 9.429 0.030 1 451 48 48 HIS HA H 5.224 0.030 1 452 48 48 HIS HB2 H 3.143 0.030 2 453 48 48 HIS HB3 H 3.242 0.030 2 454 48 48 HIS HD2 H 6.917 0.030 1 455 48 48 HIS HE1 H 8.137 0.030 1 456 48 48 HIS C C 176.198 0.300 1 457 48 48 HIS CA C 54.116 0.300 1 458 48 48 HIS CB C 29.585 0.300 1 459 48 48 HIS CD2 C 120.079 0.300 1 460 48 48 HIS CE1 C 136.045 0.300 1 461 48 48 HIS N N 126.512 0.300 1 462 49 49 THR H H 8.900 0.030 1 463 49 49 THR HA H 4.288 0.030 1 464 49 49 THR HB H 4.462 0.030 1 465 49 49 THR HG2 H 1.245 0.030 1 466 49 49 THR C C 174.870 0.300 1 467 49 49 THR CA C 59.821 0.300 1 468 49 49 THR CB C 67.395 0.300 1 469 49 49 THR CG2 C 22.207 0.300 1 470 49 49 THR N N 116.607 0.300 1 471 50 50 PRO HA H 4.234 0.030 1 472 50 50 PRO HB2 H 2.394 0.030 2 473 50 50 PRO HB3 H 1.870 0.030 2 474 50 50 PRO HD2 H 3.235 0.030 2 475 50 50 PRO HD3 H 1.754 0.030 2 476 50 50 PRO HG2 H 1.593 0.030 2 477 50 50 PRO HG3 H 1.813 0.030 2 478 50 50 PRO C C 178.007 0.300 1 479 50 50 PRO CA C 65.699 0.300 1 480 50 50 PRO CB C 31.454 0.300 1 481 50 50 PRO CD C 49.331 0.300 1 482 50 50 PRO CG C 27.063 0.300 1 483 51 51 SER H H 8.288 0.030 1 484 51 51 SER HA H 4.340 0.030 1 485 51 51 SER HB2 H 4.006 0.030 1 486 51 51 SER HB3 H 4.006 0.030 1 487 51 51 SER C C 175.147 0.300 1 488 51 51 SER CA C 59.414 0.300 1 489 51 51 SER CB C 62.748 0.300 1 490 51 51 SER N N 110.412 0.300 1 491 52 52 GLY H H 8.188 0.030 1 492 52 52 GLY HA2 H 4.356 0.030 2 493 52 52 GLY HA3 H 3.667 0.030 2 494 52 52 GLY C C 174.332 0.300 1 495 52 52 GLY CA C 45.143 0.300 1 496 52 52 GLY N N 110.621 0.300 1 497 53 53 ALA H H 7.312 0.030 1 498 53 53 ALA HA H 4.445 0.030 1 499 53 53 ALA HB H 1.393 0.030 1 500 53 53 ALA C C 176.454 0.300 1 501 53 53 ALA CA C 51.723 0.300 1 502 53 53 ALA CB C 19.643 0.300 1 503 53 53 ALA N N 123.968 0.300 1 504 54 54 VAL H H 8.345 0.030 1 505 54 54 VAL HA H 4.962 0.030 1 506 54 54 VAL HB H 1.797 0.030 1 507 54 54 VAL HG1 H 0.533 0.030 1 508 54 54 VAL HG2 H 0.665 0.030 1 509 54 54 VAL C C 176.058 0.300 1 510 54 54 VAL CA C 60.873 0.300 1 511 54 54 VAL CB C 33.121 0.300 1 512 54 54 VAL CG1 C 20.987 0.300 2 513 54 54 VAL CG2 C 21.240 0.300 2 514 54 54 VAL N N 120.531 0.300 1 515 55 55 GLU H H 9.089 0.030 1 516 55 55 GLU HA H 4.751 0.030 1 517 55 55 GLU HB2 H 2.063 0.030 2 518 55 55 GLU HB3 H 1.829 0.030 2 519 55 55 GLU HG2 H 2.249 0.030 2 520 55 55 GLU HG3 H 2.189 0.030 2 521 55 55 GLU C C 175.579 0.300 1 522 55 55 GLU CA C 53.967 0.300 1 523 55 55 GLU CB C 32.903 0.300 1 524 55 55 GLU CG C 35.826 0.300 1 525 55 55 GLU N N 126.753 0.300 1 526 56 56 GLU H H 8.871 0.030 1 527 56 56 GLU HA H 4.354 0.030 1 528 56 56 GLU HB2 H 2.100 0.030 2 529 56 56 GLU HB3 H 1.982 0.030 2 530 56 56 GLU HG2 H 2.344 0.030 1 531 56 56 GLU HG3 H 2.344 0.030 1 532 56 56 GLU C C 177.189 0.300 1 533 56 56 GLU CA C 57.257 0.300 1 534 56 56 GLU CB C 30.369 0.300 1 535 56 56 GLU CG C 36.417 0.300 1 536 56 56 GLU N N 122.767 0.300 1 537 57 57 CYS H H 8.284 0.030 1 538 57 57 CYS HA H 4.764 0.030 1 539 57 57 CYS HB2 H 2.917 0.030 2 540 57 57 CYS HB3 H 2.516 0.030 2 541 57 57 CYS C C 173.918 0.300 1 542 57 57 CYS CA C 58.372 0.300 1 543 57 57 CYS CB C 29.727 0.300 1 544 57 57 CYS N N 120.560 0.300 1 545 58 58 TYR H H 8.758 0.030 1 546 58 58 TYR HA H 4.576 0.030 1 547 58 58 TYR HB2 H 3.059 0.030 2 548 58 58 TYR HB3 H 2.934 0.030 2 549 58 58 TYR HD1 H 7.007 0.030 1 550 58 58 TYR HD2 H 7.007 0.030 1 551 58 58 TYR HE1 H 6.720 0.030 1 552 58 58 TYR HE2 H 6.720 0.030 1 553 58 58 TYR C C 174.189 0.300 1 554 58 58 TYR CA C 58.281 0.300 1 555 58 58 TYR CB C 38.879 0.300 1 556 58 58 TYR CD1 C 133.151 0.300 1 557 58 58 TYR CD2 C 133.151 0.300 1 558 58 58 TYR CE1 C 118.093 0.300 1 559 58 58 TYR CE2 C 118.093 0.300 1 560 58 58 TYR N N 123.408 0.300 1 561 59 59 VAL H H 7.933 0.030 1 562 59 59 VAL HA H 4.471 0.030 1 563 59 59 VAL HB H 1.811 0.030 1 564 59 59 VAL HG1 H 0.759 0.030 1 565 59 59 VAL HG2 H 0.694 0.030 1 566 59 59 VAL C C 175.766 0.300 1 567 59 59 VAL CA C 60.865 0.300 1 568 59 59 VAL CB C 33.366 0.300 1 569 59 59 VAL CG1 C 21.362 0.300 2 570 59 59 VAL CG2 C 20.805 0.300 2 571 59 59 VAL N N 128.229 0.300 1 572 60 60 SER H H 8.912 0.030 1 573 60 60 SER HA H 4.308 0.030 1 574 60 60 SER HB2 H 4.069 0.030 1 575 60 60 SER HB3 H 4.069 0.030 1 576 60 60 SER C C 174.852 0.300 1 577 60 60 SER CA C 58.701 0.300 1 578 60 60 SER CB C 65.690 0.300 1 579 60 60 SER N N 122.558 0.300 1 580 61 61 GLU H H 8.956 0.030 1 581 61 61 GLU HA H 4.368 0.030 1 582 61 61 GLU HB2 H 1.996 0.030 2 583 61 61 GLU HB3 H 2.104 0.030 2 584 61 61 GLU HG2 H 2.415 0.030 1 585 61 61 GLU HG3 H 2.415 0.030 1 586 61 61 GLU C C 176.584 0.300 1 587 61 61 GLU CA C 56.749 0.300 1 588 61 61 GLU CB C 29.929 0.300 1 589 61 61 GLU CG C 36.361 0.300 1 590 61 61 GLU N N 121.347 0.300 1 591 62 62 LEU H H 8.720 0.030 1 592 62 62 LEU HA H 3.388 0.030 1 593 62 62 LEU HB2 H 1.352 0.030 2 594 62 62 LEU HB3 H 1.637 0.030 2 595 62 62 LEU HD1 H 0.549 0.030 1 596 62 62 LEU HD2 H 0.837 0.030 1 597 62 62 LEU HG H 1.291 0.030 1 598 62 62 LEU C C 176.497 0.300 1 599 62 62 LEU CA C 56.255 0.300 1 600 62 62 LEU CB C 42.276 0.300 1 601 62 62 LEU CD1 C 23.747 0.300 2 602 62 62 LEU CD2 C 25.587 0.300 2 603 62 62 LEU CG C 26.936 0.300 1 604 62 62 LEU N N 126.424 0.300 1 605 63 63 ASP H H 8.388 0.030 1 606 63 63 ASP HA H 4.683 0.030 1 607 63 63 ASP HB2 H 2.634 0.030 1 608 63 63 ASP HB3 H 2.634 0.030 1 609 63 63 ASP CA C 53.677 0.300 1 610 63 63 ASP CB C 42.867 0.300 1 611 63 63 ASP N N 125.774 0.300 1 612 64 64 SER HA H 3.903 0.030 1 613 64 64 SER HB2 H 3.937 0.030 2 614 64 64 SER HB3 H 3.880 0.030 2 615 64 64 SER C C 174.252 0.300 1 616 64 64 SER CA C 59.511 0.300 1 617 64 64 SER CB C 61.653 0.300 1 618 65 65 ASP H H 8.652 0.030 1 619 65 65 ASP HA H 4.401 0.030 1 620 65 65 ASP HB2 H 2.357 0.030 2 621 65 65 ASP HB3 H 3.071 0.030 2 622 65 65 ASP CA C 55.231 0.300 1 623 65 65 ASP CB C 43.285 0.300 1 624 65 65 ASP N N 116.716 0.300 1 625 66 66 LYS H H 7.570 0.030 1 626 66 66 LYS HA H 5.437 0.030 1 627 66 66 LYS HB2 H 1.682 0.030 1 628 66 66 LYS HB3 H 1.682 0.030 1 629 66 66 LYS HD2 H 1.560 0.030 2 630 66 66 LYS HD3 H 1.480 0.030 2 631 66 66 LYS HE2 H 2.875 0.030 1 632 66 66 LYS HE3 H 2.875 0.030 1 633 66 66 LYS HG2 H 1.346 0.030 1 634 66 66 LYS HG3 H 1.346 0.030 1 635 66 66 LYS CA C 54.740 0.300 1 636 66 66 LYS CB C 36.824 0.300 1 637 66 66 LYS CD C 29.460 0.300 1 638 66 66 LYS CE C 41.910 0.300 1 639 66 66 LYS CG C 23.842 0.300 1 640 66 66 LYS N N 116.307 0.300 1 641 67 67 HIS H H 8.642 0.030 1 642 67 67 HIS HA H 4.643 0.030 1 643 67 67 HIS HB2 H 2.522 0.030 2 644 67 67 HIS HB3 H 2.756 0.030 2 645 67 67 HIS HD2 H 6.554 0.030 1 646 67 67 HIS HE1 H 7.714 0.030 1 647 67 67 HIS C C 174.699 0.300 1 648 67 67 HIS CA C 55.138 0.300 1 649 67 67 HIS CB C 32.932 0.300 1 650 67 67 HIS CD2 C 128.123 0.300 1 651 67 67 HIS CE1 C 139.024 0.300 1 652 67 67 HIS N N 117.161 0.300 1 653 68 68 THR H H 9.027 0.030 1 654 68 68 THR HA H 4.724 0.030 1 655 68 68 THR HB H 3.971 0.030 1 656 68 68 THR HG2 H 1.151 0.030 1 657 68 68 THR C C 172.595 0.300 1 658 68 68 THR CA C 62.562 0.300 1 659 68 68 THR CB C 69.960 0.300 1 660 68 68 THR CG2 C 21.751 0.300 1 661 68 68 THR N N 118.999 0.300 1 662 69 69 ILE H H 8.892 0.030 1 663 69 69 ILE HA H 4.845 0.030 1 664 69 69 ILE HB H 0.445 0.030 1 665 69 69 ILE HD1 H 0.505 0.030 1 666 69 69 ILE HG12 H 0.868 0.030 2 667 69 69 ILE HG13 H 1.058 0.030 2 668 69 69 ILE HG2 H 0.511 0.030 1 669 69 69 ILE C C 174.336 0.300 1 670 69 69 ILE CA C 59.238 0.300 1 671 69 69 ILE CB C 37.951 0.300 1 672 69 69 ILE CD1 C 13.736 0.300 1 673 69 69 ILE CG1 C 28.151 0.300 1 674 69 69 ILE CG2 C 18.639 0.300 1 675 69 69 ILE N N 128.060 0.300 1 676 70 70 ARG H H 8.920 0.030 1 677 70 70 ARG HA H 5.717 0.030 1 678 70 70 ARG HB2 H 1.667 0.030 2 679 70 70 ARG HB3 H 1.845 0.030 2 680 70 70 ARG HD2 H 2.993 0.030 1 681 70 70 ARG HD3 H 2.993 0.030 1 682 70 70 ARG HG2 H 1.545 0.030 2 683 70 70 ARG HG3 H 1.446 0.030 2 684 70 70 ARG C C 174.812 0.300 1 685 70 70 ARG CA C 54.291 0.300 1 686 70 70 ARG CB C 35.387 0.300 1 687 70 70 ARG CD C 43.623 0.300 1 688 70 70 ARG CG C 27.755 0.300 1 689 70 70 ARG N N 124.796 0.300 1 690 71 71 PHE H H 8.780 0.030 1 691 71 71 PHE HA H 5.058 0.030 1 692 71 71 PHE HB2 H 3.371 0.030 2 693 71 71 PHE HB3 H 3.115 0.030 2 694 71 71 PHE HD1 H 6.936 0.030 1 695 71 71 PHE HD2 H 6.936 0.030 1 696 71 71 PHE HE1 H 6.805 0.030 1 697 71 71 PHE HE2 H 6.805 0.030 1 698 71 71 PHE HZ H 6.777 0.030 1 699 71 71 PHE C C 171.708 0.300 1 700 71 71 PHE CA C 55.863 0.300 1 701 71 71 PHE CB C 41.485 0.300 1 702 71 71 PHE CD1 C 132.380 0.300 1 703 71 71 PHE CD2 C 132.380 0.300 1 704 71 71 PHE CE1 C 129.753 0.300 1 705 71 71 PHE CE2 C 129.753 0.300 1 706 71 71 PHE CZ C 128.390 0.300 1 707 71 71 PHE N N 120.915 0.300 1 708 72 72 ILE H H 8.813 0.030 1 709 72 72 ILE HA H 4.463 0.030 1 710 72 72 ILE HB H 1.729 0.030 1 711 72 72 ILE HD1 H 0.797 0.030 1 712 72 72 ILE HG12 H 0.658 0.030 2 713 72 72 ILE HG13 H 1.429 0.030 2 714 72 72 ILE HG2 H 0.450 0.030 1 715 72 72 ILE C C 173.801 0.300 1 716 72 72 ILE CA C 57.566 0.300 1 717 72 72 ILE CB C 39.585 0.300 1 718 72 72 ILE CD1 C 13.279 0.300 1 719 72 72 ILE CG1 C 27.734 0.300 1 720 72 72 ILE CG2 C 17.183 0.300 1 721 72 72 ILE N N 120.567 0.300 1 722 73 73 PRO HA H 4.604 0.030 1 723 73 73 PRO HB2 H 1.794 0.030 1 724 73 73 PRO HB3 H 1.794 0.030 1 725 73 73 PRO HD2 H 4.103 0.030 2 726 73 73 PRO HD3 H 3.021 0.030 2 727 73 73 PRO HG2 H 2.036 0.030 2 728 73 73 PRO HG3 H 1.466 0.030 2 729 73 73 PRO C C 176.953 0.300 1 730 73 73 PRO CA C 61.863 0.300 1 731 73 73 PRO CB C 33.747 0.300 1 732 73 73 PRO CD C 50.815 0.300 1 733 73 73 PRO CG C 27.129 0.300 1 734 74 74 HIS H H 10.308 0.030 1 735 74 74 HIS HA H 4.996 0.030 1 736 74 74 HIS HB2 H 3.448 0.030 2 737 74 74 HIS HB3 H 3.300 0.030 2 738 74 74 HIS HD2 H 7.448 0.030 1 739 74 74 HIS HE1 H 8.504 0.030 1 740 74 74 HIS C C 173.303 0.300 1 741 74 74 HIS CA C 54.834 0.300 1 742 74 74 HIS CB C 30.257 0.300 1 743 74 74 HIS CD2 C 121.246 0.300 1 744 74 74 HIS CE1 C 136.590 0.300 1 745 74 74 HIS N N 120.110 0.300 1 746 75 75 GLU H H 7.768 0.030 1 747 75 75 GLU HA H 4.630 0.030 1 748 75 75 GLU HB2 H 2.136 0.030 2 749 75 75 GLU HB3 H 2.026 0.030 2 750 75 75 GLU HG2 H 2.278 0.030 2 751 75 75 GLU HG3 H 2.137 0.030 2 752 75 75 GLU C C 173.522 0.300 1 753 75 75 GLU CA C 54.250 0.300 1 754 75 75 GLU CB C 33.129 0.300 1 755 75 75 GLU CG C 34.996 0.300 1 756 75 75 GLU N N 118.215 0.300 1 757 76 76 ASN H H 8.492 0.030 1 758 76 76 ASN HA H 4.554 0.030 1 759 76 76 ASN HB2 H 2.647 0.030 2 760 76 76 ASN HB3 H 2.716 0.030 2 761 76 76 ASN HD21 H 6.811 0.030 2 762 76 76 ASN HD22 H 7.442 0.030 2 763 76 76 ASN C C 175.521 0.300 1 764 76 76 ASN CA C 53.374 0.300 1 765 76 76 ASN CB C 40.067 0.300 1 766 76 76 ASN N N 117.154 0.300 1 767 76 76 ASN ND2 N 111.882 0.300 1 768 77 77 GLY H H 9.067 0.030 1 769 77 77 GLY HA2 H 4.764 0.030 2 770 77 77 GLY HA3 H 3.895 0.030 2 771 77 77 GLY C C 176.282 0.300 1 772 77 77 GLY CA C 43.643 0.300 1 773 77 77 GLY N N 106.484 0.300 1 774 78 78 VAL H H 9.273 0.030 1 775 78 78 VAL HA H 4.384 0.030 1 776 78 78 VAL HB H 2.000 0.030 1 777 78 78 VAL HG1 H 0.819 0.030 1 778 78 78 VAL HG2 H 0.987 0.030 1 779 78 78 VAL C C 176.124 0.300 1 780 78 78 VAL CA C 64.577 0.300 1 781 78 78 VAL CB C 31.514 0.300 1 782 78 78 VAL CG1 C 21.247 0.300 2 783 78 78 VAL CG2 C 21.960 0.300 2 784 78 78 VAL N N 124.213 0.300 1 785 79 79 HIS H H 9.644 0.030 1 786 79 79 HIS HA H 4.866 0.030 1 787 79 79 HIS HB2 H 2.774 0.030 2 788 79 79 HIS HB3 H 2.873 0.030 2 789 79 79 HIS HD2 H 6.615 0.030 1 790 79 79 HIS HE1 H 8.027 0.030 1 791 79 79 HIS C C 173.701 0.300 1 792 79 79 HIS CA C 55.034 0.300 1 793 79 79 HIS CB C 30.855 0.300 1 794 79 79 HIS CD2 C 127.454 0.300 1 795 79 79 HIS CE1 C 140.437 0.300 1 796 79 79 HIS N N 128.682 0.300 1 797 80 80 SER H H 8.311 0.030 1 798 80 80 SER HA H 5.577 0.030 1 799 80 80 SER HB2 H 3.621 0.030 2 800 80 80 SER HB3 H 3.514 0.030 2 801 80 80 SER C C 173.648 0.300 1 802 80 80 SER CA C 56.424 0.300 1 803 80 80 SER CB C 64.589 0.300 1 804 80 80 SER N N 115.454 0.300 1 805 81 81 ILE H H 9.813 0.030 1 806 81 81 ILE HA H 4.845 0.030 1 807 81 81 ILE HB H 1.905 0.030 1 808 81 81 ILE HD1 H 0.432 0.030 1 809 81 81 ILE HG12 H 1.230 0.030 2 810 81 81 ILE HG13 H 0.754 0.030 2 811 81 81 ILE HG2 H 0.754 0.030 1 812 81 81 ILE C C 175.589 0.300 1 813 81 81 ILE CA C 60.335 0.300 1 814 81 81 ILE CB C 39.896 0.300 1 815 81 81 ILE CD1 C 14.589 0.300 1 816 81 81 ILE CG1 C 28.135 0.300 1 817 81 81 ILE CG2 C 18.043 0.300 1 818 81 81 ILE N N 127.820 0.300 1 819 82 82 ASP H H 9.104 0.030 1 820 82 82 ASP HA H 4.975 0.030 1 821 82 82 ASP HB2 H 2.790 0.030 2 822 82 82 ASP HB3 H 2.266 0.030 2 823 82 82 ASP C C 176.100 0.300 1 824 82 82 ASP CA C 53.281 0.300 1 825 82 82 ASP CB C 42.562 0.300 1 826 82 82 ASP N N 128.097 0.300 1 827 83 83 VAL H H 9.778 0.030 1 828 83 83 VAL HA H 4.597 0.030 1 829 83 83 VAL HB H 2.217 0.030 1 830 83 83 VAL HG1 H 0.887 0.030 1 831 83 83 VAL HG2 H 1.150 0.030 1 832 83 83 VAL C C 173.552 0.300 1 833 83 83 VAL CA C 62.538 0.300 1 834 83 83 VAL CB C 33.530 0.300 1 835 83 83 VAL CG1 C 22.157 0.300 2 836 83 83 VAL CG2 C 21.838 0.300 2 837 83 83 VAL N N 124.827 0.300 1 838 84 84 LYS H H 8.799 0.030 1 839 84 84 LYS HA H 5.057 0.030 1 840 84 84 LYS HB2 H 1.616 0.030 2 841 84 84 LYS HB3 H 0.985 0.030 2 842 84 84 LYS HD2 H 1.235 0.030 2 843 84 84 LYS HD3 H 1.038 0.030 2 844 84 84 LYS HE2 H 2.021 0.030 2 845 84 84 LYS HE3 H 2.188 0.030 2 846 84 84 LYS HG2 H 0.841 0.030 2 847 84 84 LYS HG3 H 0.240 0.030 2 848 84 84 LYS C C 174.655 0.300 1 849 84 84 LYS CA C 53.789 0.300 1 850 84 84 LYS CB C 36.393 0.300 1 851 84 84 LYS CD C 29.342 0.300 1 852 84 84 LYS CE C 41.393 0.300 1 853 84 84 LYS CG C 25.185 0.300 1 854 84 84 LYS N N 124.335 0.300 1 855 85 85 PHE H H 9.260 0.030 1 856 85 85 PHE HA H 5.244 0.030 1 857 85 85 PHE HB2 H 2.842 0.030 2 858 85 85 PHE HB3 H 2.531 0.030 2 859 85 85 PHE HD1 H 6.820 0.030 1 860 85 85 PHE HD2 H 6.820 0.030 1 861 85 85 PHE HE1 H 6.948 0.030 1 862 85 85 PHE HE2 H 6.948 0.030 1 863 85 85 PHE C C 175.324 0.300 1 864 85 85 PHE CA C 55.534 0.300 1 865 85 85 PHE CB C 43.009 0.300 1 866 85 85 PHE CD1 C 131.570 0.300 1 867 85 85 PHE CD2 C 131.570 0.300 1 868 85 85 PHE CE1 C 130.844 0.300 1 869 85 85 PHE CE2 C 130.844 0.300 1 870 85 85 PHE N N 121.396 0.300 1 871 86 86 ASN H H 9.085 0.030 1 872 86 86 ASN HA H 4.152 0.030 1 873 86 86 ASN HB2 H 2.958 0.030 2 874 86 86 ASN HB3 H 2.672 0.030 2 875 86 86 ASN HD21 H 6.717 0.030 2 876 86 86 ASN HD22 H 7.585 0.030 2 877 86 86 ASN C C 175.559 0.300 1 878 86 86 ASN CA C 53.637 0.300 1 879 86 86 ASN CB C 36.718 0.300 1 880 86 86 ASN N N 127.112 0.300 1 881 86 86 ASN ND2 N 113.591 0.300 1 882 87 87 GLY H H 9.023 0.030 1 883 87 87 GLY HA2 H 4.135 0.030 2 884 87 87 GLY HA3 H 3.490 0.030 2 885 87 87 GLY C C 173.036 0.300 1 886 87 87 GLY CA C 45.407 0.300 1 887 87 87 GLY N N 102.177 0.300 1 888 88 88 ALA H H 7.736 0.030 1 889 88 88 ALA HA H 4.831 0.030 1 890 88 88 ALA HB H 1.460 0.030 1 891 88 88 ALA C C 176.922 0.300 1 892 88 88 ALA CA C 50.147 0.300 1 893 88 88 ALA CB C 21.540 0.300 1 894 88 88 ALA N N 123.986 0.300 1 895 89 89 HIS H H 8.687 0.030 1 896 89 89 HIS HA H 4.446 0.030 1 897 89 89 HIS HB2 H 3.044 0.030 2 898 89 89 HIS HB3 H 2.893 0.030 2 899 89 89 HIS HD2 H 7.145 0.030 1 900 89 89 HIS HE1 H 7.569 0.030 1 901 89 89 HIS C C 177.146 0.300 1 902 89 89 HIS CA C 58.831 0.300 1 903 89 89 HIS CB C 32.391 0.300 1 904 89 89 HIS CD2 C 117.897 0.300 1 905 89 89 HIS CE1 C 137.302 0.300 1 906 89 89 HIS N N 121.451 0.300 1 907 90 90 ILE H H 8.246 0.030 1 908 90 90 ILE HA H 4.548 0.030 1 909 90 90 ILE HB H 2.205 0.030 1 910 90 90 ILE HD1 H 0.913 0.030 1 911 90 90 ILE HG12 H 1.445 0.030 2 912 90 90 ILE HG13 H 1.503 0.030 2 913 90 90 ILE HG2 H 1.095 0.030 1 914 90 90 ILE C C 173.340 0.300 1 915 90 90 ILE CA C 60.365 0.300 1 916 90 90 ILE CB C 35.524 0.300 1 917 90 90 ILE CD1 C 15.444 0.300 1 918 90 90 ILE CG1 C 24.848 0.300 1 919 90 90 ILE CG2 C 19.185 0.300 1 920 90 90 ILE N N 118.737 0.300 1 921 91 91 PRO HA H 4.268 0.030 1 922 91 91 PRO HB2 H 2.327 0.030 2 923 91 91 PRO HB3 H 1.988 0.030 2 924 91 91 PRO HD2 H 3.524 0.030 2 925 91 91 PRO HD3 H 4.117 0.030 2 926 91 91 PRO HG2 H 2.334 0.030 2 927 91 91 PRO HG3 H 1.942 0.030 2 928 91 91 PRO C C 177.009 0.300 1 929 91 91 PRO CA C 65.233 0.300 1 930 91 91 PRO CB C 31.015 0.300 1 931 91 91 PRO CD C 51.202 0.300 1 932 91 91 PRO CG C 28.666 0.300 1 933 92 92 GLY H H 8.275 0.030 1 934 92 92 GLY HA2 H 4.142 0.030 2 935 92 92 GLY HA3 H 3.211 0.030 2 936 92 92 GLY C C 172.192 0.300 1 937 92 92 GLY CA C 44.689 0.300 1 938 92 92 GLY N N 113.812 0.300 1 939 93 93 SER H H 7.598 0.030 1 940 93 93 SER HA H 3.920 0.030 1 941 93 93 SER HB2 H 3.724 0.030 2 942 93 93 SER HB3 H 4.382 0.030 2 943 93 93 SER C C 174.918 0.300 1 944 93 93 SER CA C 54.893 0.300 1 945 93 93 SER CB C 62.304 0.300 1 946 93 93 SER N N 113.176 0.300 1 947 94 94 PRO HA H 5.440 0.030 1 948 94 94 PRO HB2 H 2.661 0.030 2 949 94 94 PRO HB3 H 1.600 0.030 2 950 94 94 PRO HD2 H 3.237 0.030 2 951 94 94 PRO HD3 H 2.644 0.030 2 952 94 94 PRO HG2 H 1.729 0.030 1 953 94 94 PRO HG3 H 1.729 0.030 1 954 94 94 PRO C C 176.334 0.300 1 955 94 94 PRO CA C 62.174 0.300 1 956 94 94 PRO CB C 33.439 0.300 1 957 94 94 PRO CD C 50.107 0.300 1 958 94 94 PRO CG C 24.918 0.300 1 959 95 95 PHE H H 8.994 0.030 1 960 95 95 PHE HA H 4.386 0.030 1 961 95 95 PHE HB2 H 2.867 0.030 2 962 95 95 PHE HB3 H 2.625 0.030 2 963 95 95 PHE HD1 H 7.203 0.030 1 964 95 95 PHE HD2 H 7.203 0.030 1 965 95 95 PHE HE1 H 7.140 0.030 1 966 95 95 PHE HE2 H 7.140 0.030 1 967 95 95 PHE HZ H 7.237 0.030 1 968 95 95 PHE C C 175.836 0.300 1 969 95 95 PHE CA C 57.518 0.300 1 970 95 95 PHE CB C 40.537 0.300 1 971 95 95 PHE CD1 C 132.231 0.300 1 972 95 95 PHE CD2 C 132.231 0.300 1 973 95 95 PHE CE1 C 129.904 0.300 1 974 95 95 PHE CE2 C 129.904 0.300 1 975 95 95 PHE CZ C 129.981 0.300 1 976 95 95 PHE N N 122.843 0.300 1 977 96 96 LYS H H 8.840 0.030 1 978 96 96 LYS HA H 5.146 0.030 1 979 96 96 LYS HB2 H 1.822 0.030 2 980 96 96 LYS HB3 H 1.537 0.030 2 981 96 96 LYS HD2 H 1.567 0.030 2 982 96 96 LYS HD3 H 1.508 0.030 2 983 96 96 LYS HE2 H 2.846 0.030 1 984 96 96 LYS HE3 H 2.846 0.030 1 985 96 96 LYS HG2 H 1.297 0.030 2 986 96 96 LYS HG3 H 1.435 0.030 2 987 96 96 LYS C C 176.280 0.300 1 988 96 96 LYS CA C 55.344 0.300 1 989 96 96 LYS CB C 33.087 0.300 1 990 96 96 LYS CD C 28.863 0.300 1 991 96 96 LYS CE C 42.139 0.300 1 992 96 96 LYS CG C 24.887 0.300 1 993 96 96 LYS N N 123.154 0.300 1 994 97 97 ILE H H 8.782 0.030 1 995 97 97 ILE HA H 4.751 0.030 1 996 97 97 ILE HB H 1.780 0.030 1 997 97 97 ILE HD1 H 0.727 0.030 1 998 97 97 ILE HG12 H 1.082 0.030 2 999 97 97 ILE HG13 H 1.352 0.030 2 1000 97 97 ILE HG2 H 0.817 0.030 1 1001 97 97 ILE C C 174.232 0.300 1 1002 97 97 ILE CA C 59.255 0.300 1 1003 97 97 ILE CB C 41.630 0.300 1 1004 97 97 ILE CD1 C 13.694 0.300 1 1005 97 97 ILE CG1 C 26.923 0.300 1 1006 97 97 ILE CG2 C 18.482 0.300 1 1007 97 97 ILE N N 120.743 0.300 1 1008 98 98 ARG H H 8.944 0.030 1 1009 98 98 ARG HA H 4.594 0.030 1 1010 98 98 ARG HB2 H 1.791 0.030 2 1011 98 98 ARG HB3 H 1.935 0.030 2 1012 98 98 ARG HD2 H 3.138 0.030 2 1013 98 98 ARG HD3 H 3.223 0.030 2 1014 98 98 ARG HG2 H 1.449 0.030 2 1015 98 98 ARG HG3 H 1.398 0.030 2 1016 98 98 ARG C C 174.754 0.300 1 1017 98 98 ARG CA C 56.235 0.300 1 1018 98 98 ARG CB C 31.771 0.300 1 1019 98 98 ARG CD C 43.368 0.300 1 1020 98 98 ARG CG C 28.436 0.300 1 1021 98 98 ARG N N 125.998 0.300 1 1022 99 99 VAL H H 8.165 0.030 1 1023 99 99 VAL HA H 4.093 0.030 1 1024 99 99 VAL HB H 2.421 0.030 1 1025 99 99 VAL HG1 H 0.746 0.030 1 1026 99 99 VAL HG2 H 0.557 0.030 1 1027 99 99 VAL C C 176.892 0.300 1 1028 99 99 VAL CA C 61.803 0.300 1 1029 99 99 VAL CB C 32.737 0.300 1 1030 99 99 VAL CG1 C 21.068 0.300 2 1031 99 99 VAL CG2 C 21.273 0.300 2 1032 99 99 VAL N N 128.151 0.300 1 1033 100 100 GLY H H 8.749 0.030 1 1034 100 100 GLY HA2 H 4.409 0.030 2 1035 100 100 GLY HA3 H 3.930 0.030 2 1036 100 100 GLY C C 173.461 0.300 1 1037 100 100 GLY CA C 44.864 0.300 1 1038 100 100 GLY N N 117.450 0.300 1 1039 101 101 GLU H H 8.376 0.030 1 1040 101 101 GLU HA H 4.355 0.030 1 1041 101 101 GLU HB2 H 2.063 0.030 2 1042 101 101 GLU HB3 H 1.867 0.030 2 1043 101 101 GLU HG2 H 2.251 0.030 1 1044 101 101 GLU HG3 H 2.251 0.030 1 1045 101 101 GLU C C 176.926 0.300 1 1046 101 101 GLU CA C 56.107 0.300 1 1047 101 101 GLU CB C 30.977 0.300 1 1048 101 101 GLU CG C 36.204 0.300 1 1049 101 101 GLU N N 119.176 0.300 1 1050 102 102 GLN H H 8.746 0.030 1 1051 102 102 GLN HA H 4.304 0.030 1 1052 102 102 GLN HB2 H 1.974 0.030 2 1053 102 102 GLN HB3 H 2.086 0.030 2 1054 102 102 GLN HE21 H 7.553 0.030 2 1055 102 102 GLN HE22 H 6.844 0.030 2 1056 102 102 GLN HG2 H 2.357 0.030 1 1057 102 102 GLN HG3 H 2.357 0.030 1 1058 102 102 GLN C C 176.027 0.300 1 1059 102 102 GLN CA C 56.262 0.300 1 1060 102 102 GLN CB C 29.568 0.300 1 1061 102 102 GLN CG C 33.794 0.300 1 1062 102 102 GLN N N 122.316 0.300 1 1063 102 102 GLN NE2 N 112.356 0.300 1 1064 103 103 SER H H 8.473 0.030 1 1065 103 103 SER HA H 4.405 0.030 1 1066 103 103 SER HB2 H 3.839 0.030 2 1067 103 103 SER HB3 H 3.886 0.030 2 1068 103 103 SER C C 174.555 0.300 1 1069 103 103 SER CA C 58.424 0.300 1 1070 103 103 SER CB C 63.746 0.300 1 1071 103 103 SER N N 117.543 0.300 1 1072 104 104 GLN H H 8.457 0.030 1 1073 104 104 GLN HA H 4.350 0.030 1 1074 104 104 GLN HB2 H 2.133 0.030 1 1075 104 104 GLN HB3 H 2.133 0.030 1 1076 104 104 GLN HE21 H 6.844 0.030 2 1077 104 104 GLN HE22 H 7.545 0.030 2 1078 104 104 GLN HG2 H 2.357 0.030 1 1079 104 104 GLN HG3 H 2.357 0.030 1 1080 104 104 GLN C C 175.720 0.300 1 1081 104 104 GLN CA C 55.719 0.300 1 1082 104 104 GLN CB C 29.471 0.300 1 1083 104 104 GLN CG C 33.819 0.300 1 1084 104 104 GLN N N 122.343 0.300 1 1085 104 104 GLN NE2 N 112.562 0.300 1 1086 105 105 ALA H H 8.357 0.030 1 1087 105 105 ALA HA H 4.296 0.030 1 1088 105 105 ALA HB H 1.391 0.030 1 1089 105 105 ALA C C 178.225 0.300 1 1090 105 105 ALA CA C 52.820 0.300 1 1091 105 105 ALA CB C 19.173 0.300 1 1092 105 105 ALA N N 125.452 0.300 1 1093 106 106 GLY H H 8.404 0.030 1 1094 106 106 GLY HA2 H 3.996 0.030 1 1095 106 106 GLY HA3 H 3.996 0.030 1 1096 106 106 GLY C C 174.196 0.300 1 1097 106 106 GLY CA C 45.300 0.300 1 1098 106 106 GLY N N 108.648 0.300 1 1099 107 107 SER H H 8.228 0.030 1 1100 107 107 SER HA H 4.509 0.030 1 1101 107 107 SER HB2 H 3.865 0.030 2 1102 107 107 SER C C 174.630 0.300 1 1103 107 107 SER CA C 58.247 0.300 1 1104 107 107 SER CB C 64.122 0.300 1 1105 107 107 SER N N 115.452 0.300 1 1106 108 108 GLY H H 8.331 0.030 1 1107 108 108 GLY HA2 H 4.123 0.030 1 1108 108 108 GLY HA3 H 4.123 0.030 1 1109 108 108 GLY C C 171.810 0.300 1 1110 108 108 GLY CA C 44.612 0.300 1 1111 108 108 GLY N N 110.807 0.300 1 1112 109 109 PRO HA H 4.472 0.030 1 1113 109 109 PRO HB2 H 2.288 0.030 2 1114 109 109 PRO HB3 H 1.961 0.030 2 1115 109 109 PRO HD2 H 3.625 0.030 1 1116 109 109 PRO HD3 H 3.625 0.030 1 1117 109 109 PRO HG2 H 2.008 0.030 1 1118 109 109 PRO HG3 H 2.008 0.030 1 1119 109 109 PRO C C 177.397 0.300 1 1120 109 109 PRO CA C 63.281 0.300 1 1121 109 109 PRO CB C 32.186 0.300 1 1122 109 109 PRO CD C 49.804 0.300 1 1123 109 109 PRO CG C 27.183 0.300 1 1124 110 110 SER H H 8.529 0.030 1 1125 110 110 SER HA H 4.482 0.030 1 1126 110 110 SER HB2 H 3.892 0.030 1 1127 110 110 SER HB3 H 3.892 0.030 1 1128 110 110 SER C C 174.666 0.300 1 1129 110 110 SER CA C 58.407 0.300 1 1130 110 110 SER CB C 64.030 0.300 1 1131 110 110 SER N N 116.455 0.300 1 1132 111 111 SER H H 8.320 0.030 1 1133 111 111 SER HA H 4.469 0.030 1 1134 111 111 SER HB2 H 3.879 0.030 2 1135 111 111 SER C C 173.895 0.300 1 1136 111 111 SER CA C 58.425 0.300 1 1137 111 111 SER CB C 63.957 0.300 1 1138 111 111 SER N N 117.869 0.300 1 1139 112 112 GLY H H 8.044 0.030 1 1140 112 112 GLY HA2 H 3.743 0.030 2 1141 112 112 GLY HA3 H 3.789 0.030 2 1142 112 112 GLY C C 179.022 0.300 1 1143 112 112 GLY CA C 46.189 0.300 1 1144 112 112 GLY N N 116.860 0.300 1 stop_ save_