data_10320 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the 9th filamin domain from human Filamin-B ; _BMRB_accession_number 10320 _BMRB_flat_file_name bmr10320.str _Entry_type new _Submission_date 2009-04-02 _Accession_date 2009-04-02 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tomizawa T. . . 2 Koshiba S. . . 3 Watanabe S. . . 4 Harada T. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 668 "13C chemical shifts" 520 "15N chemical shifts" 107 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-04-07 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the 9th filamin domain from human Filamin-B' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tomizawa T. . . 2 Koshiba S. . . 3 Watanabe S. . . 4 Harada T. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Filamin-B _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Filamin domain' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Filamin domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 131 _Mol_residue_sequence ; GSSGSSGDVTYDGHPVPGSP YTVEASLPPDPSKVKAHGPG LEGGLVGKPAEFTIDTKGAG TGGLGLTVEGPCEAKIECSD NGDGTCSVSYLPTKPGEYFV NILFEEVHIPGSPFKADIEM PFDPSSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ASP 9 VAL 10 THR 11 TYR 12 ASP 13 GLY 14 HIS 15 PRO 16 VAL 17 PRO 18 GLY 19 SER 20 PRO 21 TYR 22 THR 23 VAL 24 GLU 25 ALA 26 SER 27 LEU 28 PRO 29 PRO 30 ASP 31 PRO 32 SER 33 LYS 34 VAL 35 LYS 36 ALA 37 HIS 38 GLY 39 PRO 40 GLY 41 LEU 42 GLU 43 GLY 44 GLY 45 LEU 46 VAL 47 GLY 48 LYS 49 PRO 50 ALA 51 GLU 52 PHE 53 THR 54 ILE 55 ASP 56 THR 57 LYS 58 GLY 59 ALA 60 GLY 61 THR 62 GLY 63 GLY 64 LEU 65 GLY 66 LEU 67 THR 68 VAL 69 GLU 70 GLY 71 PRO 72 CYS 73 GLU 74 ALA 75 LYS 76 ILE 77 GLU 78 CYS 79 SER 80 ASP 81 ASN 82 GLY 83 ASP 84 GLY 85 THR 86 CYS 87 SER 88 VAL 89 SER 90 TYR 91 LEU 92 PRO 93 THR 94 LYS 95 PRO 96 GLY 97 GLU 98 TYR 99 PHE 100 VAL 101 ASN 102 ILE 103 LEU 104 PHE 105 GLU 106 GLU 107 VAL 108 HIS 109 ILE 110 PRO 111 GLY 112 SER 113 PRO 114 PHE 115 LYS 116 ALA 117 ASP 118 ILE 119 GLU 120 MET 121 PRO 122 PHE 123 ASP 124 PRO 125 SER 126 SER 127 GLY 128 PRO 129 SER 130 SER 131 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 2DI9 "Solution Structure Of The 9th Filamin Domain From Human Filamin-B" 100.00 131 100.00 100.00 2.59e-84 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' . . . . plasmid P051205-13 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 1.11 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 0.9742 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structure solution' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 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 298 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 3.820 0.030 1 2 1 1 GLY HA3 H 3.820 0.030 1 3 1 1 GLY CA C 43.654 0.300 1 4 6 6 SER HA H 4.446 0.030 1 5 6 6 SER HB2 H 3.888 0.030 1 6 6 6 SER HB3 H 3.888 0.030 1 7 6 6 SER C C 174.997 0.300 1 8 6 6 SER CA C 58.751 0.300 1 9 6 6 SER CB C 63.632 0.300 1 10 7 7 GLY H H 8.374 0.030 1 11 7 7 GLY HA2 H 3.956 0.030 1 12 7 7 GLY HA3 H 3.956 0.030 1 13 7 7 GLY C C 173.777 0.300 1 14 7 7 GLY CA C 45.297 0.300 1 15 7 7 GLY N N 110.696 0.300 1 16 8 8 ASP H H 8.174 0.030 1 17 8 8 ASP HA H 4.602 0.030 1 18 8 8 ASP HB2 H 2.542 0.030 2 19 8 8 ASP HB3 H 2.659 0.030 2 20 8 8 ASP C C 176.284 0.300 1 21 8 8 ASP CA C 54.284 0.300 1 22 8 8 ASP CB C 41.225 0.300 1 23 8 8 ASP N N 120.642 0.300 1 24 9 9 VAL H H 8.124 0.030 1 25 9 9 VAL HA H 4.168 0.030 1 26 9 9 VAL HB H 2.007 0.030 1 27 9 9 VAL HG1 H 0.848 0.030 1 28 9 9 VAL HG2 H 0.790 0.030 1 29 9 9 VAL C C 176.184 0.300 1 30 9 9 VAL CA C 62.084 0.300 1 31 9 9 VAL CB C 32.838 0.300 1 32 9 9 VAL CG1 C 20.234 0.300 2 33 9 9 VAL CG2 C 21.092 0.300 2 34 9 9 VAL N N 120.194 0.300 1 35 10 10 THR H H 8.244 0.030 1 36 10 10 THR HA H 4.280 0.030 1 37 10 10 THR HB H 4.083 0.030 1 38 10 10 THR HG2 H 1.095 0.030 1 39 10 10 THR C C 174.303 0.300 1 40 10 10 THR CA C 61.631 0.300 1 41 10 10 THR CB C 70.116 0.300 1 42 10 10 THR CG2 C 21.569 0.300 1 43 10 10 THR N N 117.524 0.300 1 44 11 11 TYR H H 8.333 0.030 1 45 11 11 TYR HA H 4.530 0.030 1 46 11 11 TYR HB2 H 3.006 0.030 2 47 11 11 TYR HB3 H 2.891 0.030 2 48 11 11 TYR HD1 H 7.063 0.030 1 49 11 11 TYR HD2 H 7.063 0.030 1 50 11 11 TYR HE1 H 6.737 0.030 1 51 11 11 TYR HE2 H 6.737 0.030 1 52 11 11 TYR C C 175.474 0.300 1 53 11 11 TYR CA C 58.097 0.300 1 54 11 11 TYR CB C 38.791 0.300 1 55 11 11 TYR CD1 C 133.281 0.300 1 56 11 11 TYR CD2 C 133.281 0.300 1 57 11 11 TYR CE1 C 118.187 0.300 1 58 11 11 TYR CE2 C 118.187 0.300 1 59 11 11 TYR N N 122.840 0.300 1 60 12 12 ASP H H 8.239 0.030 1 61 12 12 ASP HA H 4.465 0.030 1 62 12 12 ASP HB2 H 2.555 0.030 1 63 12 12 ASP HB3 H 2.555 0.030 1 64 12 12 ASP C C 176.320 0.300 1 65 12 12 ASP CA C 54.022 0.300 1 66 12 12 ASP CB C 41.000 0.300 1 67 12 12 ASP N N 122.897 0.300 1 68 13 13 GLY H H 7.642 0.030 1 69 13 13 GLY HA2 H 3.816 0.030 2 70 13 13 GLY HA3 H 3.700 0.030 2 71 13 13 GLY C C 173.695 0.300 1 72 13 13 GLY CA C 45.233 0.300 1 73 13 13 GLY N N 107.903 0.300 1 74 14 14 HIS H H 8.038 0.030 1 75 14 14 HIS HA H 4.839 0.030 1 76 14 14 HIS HB2 H 3.081 0.030 2 77 14 14 HIS HB3 H 2.994 0.030 2 78 14 14 HIS HD2 H 7.033 0.030 1 79 14 14 HIS HE1 H 7.993 0.030 1 80 14 14 HIS C C 173.090 0.300 1 81 14 14 HIS CA C 54.123 0.300 1 82 14 14 HIS CB C 29.701 0.300 1 83 14 14 HIS CD2 C 120.456 0.300 1 84 14 14 HIS CE1 C 137.699 0.300 1 85 14 14 HIS N N 120.100 0.300 1 86 15 15 PRO HA H 4.433 0.030 1 87 15 15 PRO HB2 H 1.805 0.030 2 88 15 15 PRO HB3 H 2.222 0.030 2 89 15 15 PRO HD2 H 3.512 0.030 2 90 15 15 PRO HD3 H 3.743 0.030 2 91 15 15 PRO HG2 H 2.037 0.030 2 92 15 15 PRO HG3 H 1.944 0.030 2 93 15 15 PRO C C 176.749 0.300 1 94 15 15 PRO CA C 63.128 0.300 1 95 15 15 PRO CB C 32.034 0.300 1 96 15 15 PRO CD C 50.560 0.300 1 97 15 15 PRO CG C 27.378 0.300 1 98 16 16 VAL H H 8.332 0.030 1 99 16 16 VAL HA H 4.352 0.030 1 100 16 16 VAL HB H 2.035 0.030 1 101 16 16 VAL HG1 H 0.918 0.030 1 102 16 16 VAL HG2 H 0.915 0.030 1 103 16 16 VAL C C 174.719 0.300 1 104 16 16 VAL CA C 59.926 0.300 1 105 16 16 VAL CB C 32.671 0.300 1 106 16 16 VAL CG1 C 21.033 0.300 2 107 16 16 VAL CG2 C 20.408 0.300 2 108 16 16 VAL N N 122.214 0.300 1 109 17 17 PRO HA H 4.376 0.030 1 110 17 17 PRO HB2 H 1.878 0.030 2 111 17 17 PRO HB3 H 2.222 0.030 2 112 17 17 PRO HD2 H 3.842 0.030 2 113 17 17 PRO HD3 H 3.651 0.030 2 114 17 17 PRO HG2 H 2.024 0.030 1 115 17 17 PRO HG3 H 2.024 0.030 1 116 17 17 PRO C C 177.437 0.300 1 117 17 17 PRO CA C 63.821 0.300 1 118 17 17 PRO CB C 32.251 0.300 1 119 17 17 PRO CD C 51.040 0.300 1 120 17 17 PRO CG C 27.387 0.300 1 121 18 18 GLY H H 8.512 0.030 1 122 18 18 GLY HA2 H 3.908 0.030 2 123 18 18 GLY CA C 44.935 0.300 1 124 18 18 GLY N N 109.914 0.300 1 125 20 20 PRO HA H 4.399 0.030 1 126 20 20 PRO HB2 H 1.701 0.030 2 127 20 20 PRO HB3 H 2.147 0.030 2 128 20 20 PRO HD2 H 3.608 0.030 2 129 20 20 PRO HD3 H 3.739 0.030 2 130 20 20 PRO HG2 H 1.897 0.030 2 131 20 20 PRO HG3 H 1.750 0.030 2 132 20 20 PRO C C 176.494 0.300 1 133 20 20 PRO CA C 63.385 0.300 1 134 20 20 PRO CB C 31.871 0.300 1 135 20 20 PRO CD C 50.705 0.300 1 136 20 20 PRO CG C 27.009 0.300 1 137 21 21 TYR H H 8.088 0.030 1 138 21 21 TYR HA H 4.576 0.030 1 139 21 21 TYR HB2 H 3.007 0.030 2 140 21 21 TYR HB3 H 2.894 0.030 2 141 21 21 TYR HD1 H 7.061 0.030 1 142 21 21 TYR HD2 H 7.061 0.030 1 143 21 21 TYR HE1 H 6.759 0.030 1 144 21 21 TYR HE2 H 6.759 0.030 1 145 21 21 TYR C C 175.724 0.300 1 146 21 21 TYR CA C 57.778 0.300 1 147 21 21 TYR CB C 38.753 0.300 1 148 21 21 TYR CD1 C 133.077 0.300 1 149 21 21 TYR CD2 C 133.077 0.300 1 150 21 21 TYR CE1 C 118.119 0.300 1 151 21 21 TYR CE2 C 118.119 0.300 1 152 21 21 TYR N N 119.980 0.300 1 153 22 22 THR H H 7.935 0.030 1 154 22 22 THR HA H 4.285 0.030 1 155 22 22 THR HB H 4.078 0.030 1 156 22 22 THR HG2 H 1.104 0.030 1 157 22 22 THR C C 173.893 0.300 1 158 22 22 THR CA C 61.471 0.300 1 159 22 22 THR CB C 69.911 0.300 1 160 22 22 THR CG2 C 21.525 0.300 1 161 22 22 THR N N 117.162 0.300 1 162 23 23 VAL H H 8.135 0.030 1 163 23 23 VAL HA H 4.018 0.030 1 164 23 23 VAL HB H 2.008 0.030 1 165 23 23 VAL HG1 H 0.898 0.030 1 166 23 23 VAL HG2 H 0.898 0.030 1 167 23 23 VAL C C 176.116 0.300 1 168 23 23 VAL CA C 62.296 0.300 1 169 23 23 VAL CB C 32.845 0.300 1 170 23 23 VAL CG1 C 20.585 0.300 1 171 23 23 VAL CG2 C 20.585 0.300 1 172 23 23 VAL N N 122.848 0.300 1 173 24 24 GLU H H 8.484 0.030 1 174 24 24 GLU HA H 4.195 0.030 1 175 24 24 GLU HB2 H 1.985 0.030 2 176 24 24 GLU HB3 H 1.880 0.030 2 177 24 24 GLU HG2 H 2.228 0.030 1 178 24 24 GLU HG3 H 2.228 0.030 1 179 24 24 GLU C C 176.151 0.300 1 180 24 24 GLU CA C 56.677 0.300 1 181 24 24 GLU CB C 30.190 0.300 1 182 24 24 GLU CG C 36.280 0.300 1 183 24 24 GLU N N 125.104 0.300 1 184 25 25 ALA H H 8.307 0.030 1 185 25 25 ALA HA H 4.275 0.030 1 186 25 25 ALA HB H 1.342 0.030 1 187 25 25 ALA C C 177.534 0.300 1 188 25 25 ALA CA C 52.522 0.300 1 189 25 25 ALA CB C 19.336 0.300 1 190 25 25 ALA N N 125.388 0.300 1 191 26 26 SER H H 8.246 0.030 1 192 26 26 SER HA H 4.396 0.030 1 193 26 26 SER HB2 H 3.812 0.030 1 194 26 26 SER HB3 H 3.812 0.030 1 195 26 26 SER C C 174.043 0.300 1 196 26 26 SER CA C 58.047 0.300 1 197 26 26 SER CB C 63.825 0.300 1 198 26 26 SER N N 115.290 0.300 1 199 27 27 LEU H H 8.257 0.030 1 200 27 27 LEU HA H 4.636 0.030 1 201 27 27 LEU HB2 H 1.553 0.030 1 202 27 27 LEU HB3 H 1.553 0.030 1 203 27 27 LEU HD1 H 0.897 0.030 1 204 27 27 LEU HD2 H 0.876 0.030 1 205 27 27 LEU HG H 1.648 0.030 1 206 27 27 LEU CA C 52.843 0.300 1 207 27 27 LEU CB C 41.985 0.300 1 208 27 27 LEU CD1 C 25.328 0.300 2 209 27 27 LEU CD2 C 23.235 0.300 2 210 27 27 LEU CG C 26.948 0.300 1 211 27 27 LEU N N 125.480 0.300 1 212 28 28 PRO HA H 4.696 0.030 1 213 28 28 PRO HB2 H 2.330 0.030 2 214 28 28 PRO HB3 H 1.875 0.030 2 215 28 28 PRO HD2 H 3.610 0.030 2 216 28 28 PRO HD3 H 3.825 0.030 2 217 28 28 PRO HG2 H 2.019 0.030 1 218 28 28 PRO HG3 H 2.019 0.030 1 219 28 28 PRO CA C 61.099 0.300 1 220 28 28 PRO CB C 30.760 0.300 1 221 28 28 PRO CD C 50.445 0.300 1 222 28 28 PRO CG C 27.278 0.300 1 223 29 29 PRO HA H 4.950 0.030 1 224 29 29 PRO HB2 H 1.741 0.030 2 225 29 29 PRO HB3 H 2.293 0.030 2 226 29 29 PRO HD2 H 3.816 0.030 2 227 29 29 PRO HD3 H 3.683 0.030 2 228 29 29 PRO HG2 H 2.098 0.030 1 229 29 29 PRO HG3 H 2.098 0.030 1 230 29 29 PRO C C 178.039 0.300 1 231 29 29 PRO CA C 62.642 0.300 1 232 29 29 PRO CB C 32.347 0.300 1 233 29 29 PRO CD C 50.293 0.300 1 234 29 29 PRO CG C 27.864 0.300 1 235 30 30 ASP H H 8.879 0.030 1 236 30 30 ASP HA H 5.131 0.030 1 237 30 30 ASP HB2 H 2.844 0.030 2 238 30 30 ASP HB3 H 2.430 0.030 2 239 30 30 ASP C C 174.209 0.300 1 240 30 30 ASP CA C 50.534 0.300 1 241 30 30 ASP CB C 41.811 0.300 1 242 30 30 ASP N N 120.351 0.300 1 243 31 31 PRO HA H 4.102 0.030 1 244 31 31 PRO HB2 H 2.076 0.030 2 245 31 31 PRO HB3 H 2.580 0.030 2 246 31 31 PRO HD2 H 4.028 0.030 1 247 31 31 PRO HD3 H 4.028 0.030 1 248 31 31 PRO HG2 H 2.189 0.030 1 249 31 31 PRO HG3 H 2.189 0.030 1 250 31 31 PRO C C 176.673 0.300 1 251 31 31 PRO CA C 64.587 0.300 1 252 31 31 PRO CB C 32.526 0.300 1 253 31 31 PRO CD C 50.972 0.300 1 254 31 31 PRO CG C 27.625 0.300 1 255 32 32 SER H H 7.868 0.030 1 256 32 32 SER HA H 4.197 0.030 1 257 32 32 SER HB2 H 3.996 0.030 2 258 32 32 SER HB3 H 3.901 0.030 2 259 32 32 SER C C 175.455 0.300 1 260 32 32 SER CA C 60.569 0.300 1 261 32 32 SER CB C 63.176 0.300 1 262 32 32 SER N N 108.271 0.300 1 263 33 33 LYS H H 7.581 0.030 1 264 33 33 LYS HA H 4.257 0.030 1 265 33 33 LYS HB2 H 1.470 0.030 2 266 33 33 LYS HB3 H 1.772 0.030 2 267 33 33 LYS HD2 H 1.518 0.030 1 268 33 33 LYS HD3 H 1.518 0.030 1 269 33 33 LYS HE2 H 2.923 0.030 1 270 33 33 LYS HE3 H 2.923 0.030 1 271 33 33 LYS HG2 H 1.160 0.030 2 272 33 33 LYS HG3 H 1.379 0.030 2 273 33 33 LYS C C 176.100 0.300 1 274 33 33 LYS CA C 54.966 0.300 1 275 33 33 LYS CB C 32.910 0.300 1 276 33 33 LYS CD C 28.362 0.300 1 277 33 33 LYS CE C 42.258 0.300 1 278 33 33 LYS CG C 25.113 0.300 1 279 33 33 LYS N N 120.242 0.300 1 280 34 34 VAL H H 7.110 0.030 1 281 34 34 VAL HA H 3.829 0.030 1 282 34 34 VAL HB H 1.912 0.030 1 283 34 34 VAL HG1 H 0.681 0.030 1 284 34 34 VAL HG2 H 0.137 0.030 1 285 34 34 VAL C C 175.200 0.300 1 286 34 34 VAL CA C 63.246 0.300 1 287 34 34 VAL CB C 31.098 0.300 1 288 34 34 VAL CG1 C 22.937 0.300 2 289 34 34 VAL CG2 C 22.767 0.300 2 290 34 34 VAL N N 121.287 0.300 1 291 35 35 LYS H H 8.416 0.030 1 292 35 35 LYS HA H 4.780 0.030 1 293 35 35 LYS HB2 H 1.752 0.030 2 294 35 35 LYS HB3 H 1.906 0.030 2 295 35 35 LYS HD2 H 1.668 0.030 1 296 35 35 LYS HD3 H 1.668 0.030 1 297 35 35 LYS HE2 H 2.933 0.030 1 298 35 35 LYS HE3 H 2.933 0.030 1 299 35 35 LYS HG2 H 1.408 0.030 1 300 35 35 LYS HG3 H 1.408 0.030 1 301 35 35 LYS C C 174.479 0.300 1 302 35 35 LYS CA C 54.538 0.300 1 303 35 35 LYS CB C 35.953 0.300 1 304 35 35 LYS CD C 29.126 0.300 1 305 35 35 LYS CE C 42.031 0.300 1 306 35 35 LYS CG C 24.534 0.300 1 307 35 35 LYS N N 126.734 0.300 1 308 36 36 ALA H H 8.436 0.030 1 309 36 36 ALA HA H 5.486 0.030 1 310 36 36 ALA HB H 1.030 0.030 1 311 36 36 ALA C C 175.103 0.300 1 312 36 36 ALA CA C 50.492 0.300 1 313 36 36 ALA CB C 22.856 0.300 1 314 36 36 ALA N N 125.549 0.300 1 315 37 37 HIS H H 8.613 0.030 1 316 37 37 HIS HA H 4.676 0.030 1 317 37 37 HIS HB2 H 3.153 0.030 2 318 37 37 HIS HB3 H 2.981 0.030 2 319 37 37 HIS HD2 H 6.760 0.030 1 320 37 37 HIS HE1 H 7.789 0.030 1 321 37 37 HIS C C 173.359 0.300 1 322 37 37 HIS CA C 55.455 0.300 1 323 37 37 HIS CB C 32.735 0.300 1 324 37 37 HIS CD2 C 119.955 0.300 1 325 37 37 HIS CE1 C 137.892 0.300 1 326 37 37 HIS N N 117.593 0.300 1 327 38 38 GLY H H 8.629 0.030 1 328 38 38 GLY HA2 H 4.042 0.030 1 329 38 38 GLY HA3 H 4.042 0.030 1 330 38 38 GLY C C 172.735 0.300 1 331 38 38 GLY CA C 44.896 0.300 1 332 38 38 GLY N N 111.754 0.300 1 333 39 39 PRO HA H 4.374 0.030 1 334 39 39 PRO HB2 H 2.363 0.030 2 335 39 39 PRO HB3 H 2.191 0.030 2 336 39 39 PRO HD2 H 3.816 0.030 2 337 39 39 PRO HD3 H 3.591 0.030 2 338 39 39 PRO HG2 H 2.102 0.030 2 339 39 39 PRO HG3 H 2.345 0.030 2 340 39 39 PRO C C 179.912 0.300 1 341 39 39 PRO CA C 65.426 0.300 1 342 39 39 PRO CB C 31.583 0.300 1 343 39 39 PRO CD C 50.090 0.300 1 344 39 39 PRO CG C 27.591 0.300 1 345 40 40 GLY H H 9.457 0.030 1 346 40 40 GLY HA2 H 3.258 0.030 2 347 40 40 GLY HA3 H 4.319 0.030 2 348 40 40 GLY C C 172.582 0.300 1 349 40 40 GLY CA C 46.499 0.300 1 350 40 40 GLY N N 105.165 0.300 1 351 41 41 LEU H H 7.239 0.030 1 352 41 41 LEU HA H 3.924 0.030 1 353 41 41 LEU HB2 H 1.064 0.030 2 354 41 41 LEU HB3 H 1.429 0.030 2 355 41 41 LEU HD1 H -0.314 0.030 1 356 41 41 LEU HD2 H -0.934 0.030 1 357 41 41 LEU HG H 0.493 0.030 1 358 41 41 LEU C C 175.546 0.300 1 359 41 41 LEU CA C 54.610 0.300 1 360 41 41 LEU CB C 40.476 0.300 1 361 41 41 LEU CD1 C 23.683 0.300 2 362 41 41 LEU CD2 C 19.258 0.300 2 363 41 41 LEU CG C 25.910 0.300 1 364 41 41 LEU N N 115.898 0.300 1 365 42 42 GLU H H 7.619 0.030 1 366 42 42 GLU HA H 4.785 0.030 1 367 42 42 GLU HB2 H 2.122 0.030 2 368 42 42 GLU HB3 H 2.042 0.030 2 369 42 42 GLU HG2 H 2.274 0.030 2 370 42 42 GLU HG3 H 2.235 0.030 2 371 42 42 GLU C C 177.383 0.300 1 372 42 42 GLU CA C 56.417 0.300 1 373 42 42 GLU CB C 32.777 0.300 1 374 42 42 GLU CG C 36.445 0.300 1 375 42 42 GLU N N 113.343 0.300 1 376 43 43 GLY H H 8.296 0.030 1 377 43 43 GLY HA2 H 4.000 0.030 2 378 43 43 GLY HA3 H 4.351 0.030 2 379 43 43 GLY C C 170.578 0.300 1 380 43 43 GLY CA C 46.524 0.300 1 381 43 43 GLY N N 108.316 0.300 1 382 44 44 GLY H H 7.517 0.030 1 383 44 44 GLY HA2 H 4.124 0.030 2 384 44 44 GLY HA3 H 3.898 0.030 2 385 44 44 GLY C C 171.537 0.300 1 386 44 44 GLY CA C 44.997 0.300 1 387 44 44 GLY N N 104.783 0.300 1 388 45 45 LEU H H 8.771 0.030 1 389 45 45 LEU HA H 5.384 0.030 1 390 45 45 LEU HB2 H 1.214 0.030 2 391 45 45 LEU HB3 H 1.424 0.030 2 392 45 45 LEU HD1 H 0.831 0.030 1 393 45 45 LEU HD2 H 0.746 0.030 1 394 45 45 LEU HG H 1.544 0.030 1 395 45 45 LEU C C 176.729 0.300 1 396 45 45 LEU CA C 52.655 0.300 1 397 45 45 LEU CB C 46.136 0.300 1 398 45 45 LEU CD1 C 25.615 0.300 2 399 45 45 LEU CD2 C 24.002 0.300 2 400 45 45 LEU CG C 26.883 0.300 1 401 45 45 LEU N N 121.951 0.300 1 402 46 46 VAL H H 7.939 0.030 1 403 46 46 VAL HA H 3.102 0.030 1 404 46 46 VAL HB H 1.776 0.030 1 405 46 46 VAL HG1 H 0.661 0.030 1 406 46 46 VAL HG2 H 0.617 0.030 1 407 46 46 VAL C C 176.547 0.300 1 408 46 46 VAL CA C 64.411 0.300 1 409 46 46 VAL CB C 32.147 0.300 1 410 46 46 VAL CG1 C 21.522 0.300 2 411 46 46 VAL CG2 C 23.028 0.300 2 412 46 46 VAL N N 120.124 0.300 1 413 47 47 GLY H H 8.515 0.030 1 414 47 47 GLY HA2 H 3.414 0.030 2 415 47 47 GLY HA3 H 4.065 0.030 2 416 47 47 GLY C C 172.843 0.300 1 417 47 47 GLY CA C 45.193 0.300 1 418 47 47 GLY N N 111.730 0.300 1 419 48 48 LYS H H 7.765 0.030 1 420 48 48 LYS HA H 4.806 0.030 1 421 48 48 LYS HB2 H 1.745 0.030 2 422 48 48 LYS HB3 H 1.620 0.030 2 423 48 48 LYS HD2 H 1.607 0.030 1 424 48 48 LYS HD3 H 1.607 0.030 1 425 48 48 LYS HE2 H 2.914 0.030 1 426 48 48 LYS HE3 H 2.914 0.030 1 427 48 48 LYS HG2 H 1.343 0.030 2 428 48 48 LYS HG3 H 1.240 0.030 2 429 48 48 LYS C C 173.571 0.300 1 430 48 48 LYS CA C 51.720 0.300 1 431 48 48 LYS CB C 33.444 0.300 1 432 48 48 LYS CD C 28.722 0.300 1 433 48 48 LYS CE C 42.266 0.300 1 434 48 48 LYS CG C 24.313 0.300 1 435 48 48 LYS N N 121.132 0.300 1 436 49 49 PRO HA H 4.095 0.030 1 437 49 49 PRO HB2 H 1.700 0.030 2 438 49 49 PRO HB3 H 2.004 0.030 2 439 49 49 PRO HD2 H 3.533 0.030 2 440 49 49 PRO HD3 H 3.681 0.030 2 441 49 49 PRO HG2 H 1.812 0.030 2 442 49 49 PRO HG3 H 2.038 0.030 2 443 49 49 PRO C C 175.416 0.300 1 444 49 49 PRO CA C 63.563 0.300 1 445 49 49 PRO CB C 31.592 0.300 1 446 49 49 PRO CD C 50.375 0.300 1 447 49 49 PRO CG C 27.707 0.300 1 448 50 50 ALA H H 8.972 0.030 1 449 50 50 ALA HA H 4.483 0.030 1 450 50 50 ALA HB H 0.369 0.030 1 451 50 50 ALA C C 175.877 0.300 1 452 50 50 ALA CA C 50.749 0.300 1 453 50 50 ALA CB C 17.339 0.300 1 454 50 50 ALA N N 132.364 0.300 1 455 51 51 GLU H H 8.390 0.030 1 456 51 51 GLU HA H 5.183 0.030 1 457 51 51 GLU HB2 H 1.908 0.030 2 458 51 51 GLU HB3 H 2.047 0.030 2 459 51 51 GLU HG2 H 1.990 0.030 1 460 51 51 GLU HG3 H 1.990 0.030 1 461 51 51 GLU C C 176.738 0.300 1 462 51 51 GLU CA C 55.636 0.300 1 463 51 51 GLU CB C 33.402 0.300 1 464 51 51 GLU CG C 36.840 0.300 1 465 51 51 GLU N N 121.025 0.300 1 466 52 52 PHE H H 8.721 0.030 1 467 52 52 PHE HA H 5.062 0.030 1 468 52 52 PHE HB2 H 2.921 0.030 2 469 52 52 PHE HB3 H 2.674 0.030 2 470 52 52 PHE HD1 H 6.577 0.030 1 471 52 52 PHE HD2 H 6.577 0.030 1 472 52 52 PHE HE1 H 6.913 0.030 1 473 52 52 PHE HE2 H 6.913 0.030 1 474 52 52 PHE HZ H 6.793 0.030 1 475 52 52 PHE C C 172.187 0.300 1 476 52 52 PHE CA C 57.467 0.300 1 477 52 52 PHE CB C 39.114 0.300 1 478 52 52 PHE CD1 C 132.346 0.300 1 479 52 52 PHE CD2 C 132.346 0.300 1 480 52 52 PHE CE1 C 130.188 0.300 1 481 52 52 PHE CE2 C 130.188 0.300 1 482 52 52 PHE CZ C 129.416 0.300 1 483 52 52 PHE N N 114.609 0.300 1 484 53 53 THR H H 9.080 0.030 1 485 53 53 THR HA H 5.161 0.030 1 486 53 53 THR HB H 3.441 0.030 1 487 53 53 THR HG2 H 1.130 0.030 1 488 53 53 THR C C 173.513 0.300 1 489 53 53 THR CA C 61.260 0.300 1 490 53 53 THR CB C 71.876 0.300 1 491 53 53 THR CG2 C 21.351 0.300 1 492 53 53 THR N N 115.919 0.300 1 493 54 54 ILE H H 8.747 0.030 1 494 54 54 ILE HA H 4.701 0.030 1 495 54 54 ILE HB H 1.627 0.030 1 496 54 54 ILE HD1 H 0.986 0.030 1 497 54 54 ILE HG12 H 0.920 0.030 2 498 54 54 ILE HG13 H 1.731 0.030 2 499 54 54 ILE HG2 H 0.791 0.030 1 500 54 54 ILE C C 173.822 0.300 1 501 54 54 ILE CA C 60.536 0.300 1 502 54 54 ILE CB C 40.794 0.300 1 503 54 54 ILE CD1 C 16.765 0.300 1 504 54 54 ILE CG1 C 27.795 0.300 1 505 54 54 ILE CG2 C 18.505 0.300 1 506 54 54 ILE N N 122.787 0.300 1 507 55 55 ASP H H 9.397 0.030 1 508 55 55 ASP HA H 5.139 0.030 1 509 55 55 ASP HB2 H 2.489 0.030 2 510 55 55 ASP HB3 H 3.027 0.030 2 511 55 55 ASP C C 176.313 0.300 1 512 55 55 ASP CA C 52.811 0.300 1 513 55 55 ASP CB C 43.236 0.300 1 514 55 55 ASP N N 128.059 0.300 1 515 56 56 THR H H 8.696 0.030 1 516 56 56 THR HA H 4.225 0.030 1 517 56 56 THR HB H 4.475 0.030 1 518 56 56 THR HG2 H 1.071 0.030 1 519 56 56 THR C C 175.737 0.300 1 520 56 56 THR CA C 60.859 0.300 1 521 56 56 THR CB C 68.815 0.300 1 522 56 56 THR CG2 C 21.813 0.300 1 523 56 56 THR N N 114.513 0.300 1 524 57 57 LYS H H 8.743 0.030 1 525 57 57 LYS HA H 3.997 0.030 1 526 57 57 LYS HB2 H 1.943 0.030 2 527 57 57 LYS HB3 H 1.764 0.030 2 528 57 57 LYS HD2 H 1.785 0.030 2 529 57 57 LYS HD3 H 1.708 0.030 2 530 57 57 LYS HE2 H 2.998 0.030 2 531 57 57 LYS HE3 H 2.958 0.030 2 532 57 57 LYS HG2 H 1.580 0.030 2 533 57 57 LYS HG3 H 1.520 0.030 2 534 57 57 LYS C C 178.252 0.300 1 535 57 57 LYS CA C 59.690 0.300 1 536 57 57 LYS CB C 31.677 0.300 1 537 57 57 LYS CD C 29.046 0.300 1 538 57 57 LYS CE C 41.632 0.300 1 539 57 57 LYS CG C 25.003 0.300 1 540 57 57 LYS N N 125.341 0.300 1 541 58 58 GLY H H 8.772 0.030 1 542 58 58 GLY HA2 H 3.901 0.030 1 543 58 58 GLY HA3 H 3.901 0.030 1 544 58 58 GLY C C 174.295 0.300 1 545 58 58 GLY CA C 45.098 0.300 1 546 58 58 GLY N N 108.313 0.300 1 547 59 59 ALA H H 7.786 0.030 1 548 59 59 ALA HA H 4.229 0.030 1 549 59 59 ALA HB H 0.792 0.030 1 550 59 59 ALA C C 176.156 0.300 1 551 59 59 ALA CA C 52.326 0.300 1 552 59 59 ALA CB C 21.490 0.300 1 553 59 59 ALA N N 122.021 0.300 1 554 60 60 GLY H H 7.975 0.030 1 555 60 60 GLY HA2 H 4.170 0.030 2 556 60 60 GLY HA3 H 3.623 0.030 2 557 60 60 GLY C C 173.787 0.300 1 558 60 60 GLY CA C 44.571 0.300 1 559 60 60 GLY N N 104.907 0.300 1 560 61 61 THR H H 8.175 0.030 1 561 61 61 THR HA H 4.361 0.030 1 562 61 61 THR HB H 4.067 0.030 1 563 61 61 THR HG2 H 1.131 0.030 1 564 61 61 THR C C 174.139 0.300 1 565 61 61 THR CA C 62.421 0.300 1 566 61 61 THR CB C 69.318 0.300 1 567 61 61 THR CG2 C 21.690 0.300 1 568 61 61 THR N N 115.584 0.300 1 569 62 62 GLY H H 8.018 0.030 1 570 62 62 GLY HA2 H 2.986 0.030 2 571 62 62 GLY HA3 H 3.782 0.030 2 572 62 62 GLY C C 171.931 0.300 1 573 62 62 GLY CA C 44.862 0.300 1 574 62 62 GLY N N 112.366 0.300 1 575 63 63 GLY H H 8.896 0.030 1 576 63 63 GLY HA2 H 3.357 0.030 2 577 63 63 GLY HA3 H 4.254 0.030 2 578 63 63 GLY C C 173.308 0.300 1 579 63 63 GLY CA C 44.447 0.300 1 580 63 63 GLY N N 107.174 0.300 1 581 64 64 LEU H H 8.434 0.030 1 582 64 64 LEU HA H 5.258 0.030 1 583 64 64 LEU HB2 H 1.433 0.030 2 584 64 64 LEU HB3 H 1.725 0.030 2 585 64 64 LEU HD1 H 0.963 0.030 1 586 64 64 LEU HD2 H 0.933 0.030 1 587 64 64 LEU HG H 1.728 0.030 1 588 64 64 LEU C C 177.129 0.300 1 589 64 64 LEU CA C 54.043 0.300 1 590 64 64 LEU CB C 44.718 0.300 1 591 64 64 LEU CD1 C 24.987 0.300 2 592 64 64 LEU CD2 C 25.534 0.300 2 593 64 64 LEU CG C 27.339 0.300 1 594 64 64 LEU N N 125.480 0.300 1 595 65 65 GLY H H 9.371 0.030 1 596 65 65 GLY HA2 H 3.442 0.030 2 597 65 65 GLY HA3 H 4.430 0.030 2 598 65 65 GLY C C 171.478 0.300 1 599 65 65 GLY CA C 45.115 0.300 1 600 65 65 GLY N N 114.296 0.300 1 601 66 66 LEU H H 8.334 0.030 1 602 66 66 LEU HA H 5.535 0.030 1 603 66 66 LEU HB2 H 1.592 0.030 2 604 66 66 LEU HB3 H 1.428 0.030 2 605 66 66 LEU HD1 H 0.893 0.030 1 606 66 66 LEU HD2 H 0.918 0.030 1 607 66 66 LEU HG H 1.589 0.030 1 608 66 66 LEU C C 176.251 0.300 1 609 66 66 LEU CA C 53.818 0.300 1 610 66 66 LEU CB C 45.634 0.300 1 611 66 66 LEU CD1 C 26.185 0.300 2 612 66 66 LEU CD2 C 27.068 0.300 2 613 66 66 LEU CG C 27.724 0.300 1 614 66 66 LEU N N 125.308 0.300 1 615 67 67 THR H H 8.604 0.030 1 616 67 67 THR HA H 4.558 0.030 1 617 67 67 THR HB H 4.124 0.030 1 618 67 67 THR HG2 H 1.144 0.030 1 619 67 67 THR C C 172.657 0.300 1 620 67 67 THR CA C 60.510 0.300 1 621 67 67 THR CB C 73.016 0.300 1 622 67 67 THR CG2 C 22.803 0.300 1 623 67 67 THR N N 115.017 0.300 1 624 68 68 VAL H H 8.748 0.030 1 625 68 68 VAL HA H 5.057 0.030 1 626 68 68 VAL HB H 1.769 0.030 1 627 68 68 VAL HG1 H 0.531 0.030 1 628 68 68 VAL HG2 H 0.507 0.030 1 629 68 68 VAL C C 175.430 0.300 1 630 68 68 VAL CA C 61.032 0.300 1 631 68 68 VAL CB C 33.957 0.300 1 632 68 68 VAL CG1 C 21.584 0.300 2 633 68 68 VAL CG2 C 21.059 0.300 2 634 68 68 VAL N N 122.453 0.300 1 635 69 69 GLU H H 9.317 0.030 1 636 69 69 GLU HA H 4.840 0.030 1 637 69 69 GLU HB2 H 2.116 0.030 2 638 69 69 GLU HB3 H 2.006 0.030 2 639 69 69 GLU HG2 H 2.181 0.030 2 640 69 69 GLU HG3 H 2.109 0.030 2 641 69 69 GLU C C 175.146 0.300 1 642 69 69 GLU CA C 54.262 0.300 1 643 69 69 GLU CB C 32.468 0.300 1 644 69 69 GLU CG C 36.224 0.300 1 645 69 69 GLU N N 128.949 0.300 1 646 70 70 GLY H H 8.409 0.030 1 647 70 70 GLY HA2 H 3.559 0.030 2 648 70 70 GLY HA3 H 4.124 0.030 2 649 70 70 GLY C C 171.761 0.300 1 650 70 70 GLY CA C 45.549 0.300 1 651 70 70 GLY N N 110.342 0.300 1 652 71 71 PRO HA H 4.332 0.030 1 653 71 71 PRO HB2 H 1.786 0.030 2 654 71 71 PRO HB3 H 2.247 0.030 2 655 71 71 PRO HD2 H 2.929 0.030 2 656 71 71 PRO HD3 H 1.895 0.030 2 657 71 71 PRO HG2 H 1.592 0.030 2 658 71 71 PRO HG3 H 1.762 0.030 2 659 71 71 PRO C C 175.743 0.300 1 660 71 71 PRO CA C 63.837 0.300 1 661 71 71 PRO CB C 32.163 0.300 1 662 71 71 PRO CD C 49.152 0.300 1 663 71 71 PRO CG C 26.605 0.300 1 664 72 72 CYS H H 7.224 0.030 1 665 72 72 CYS HA H 4.708 0.030 1 666 72 72 CYS HB2 H 2.785 0.030 2 667 72 72 CYS HB3 H 2.984 0.030 2 668 72 72 CYS C C 172.560 0.300 1 669 72 72 CYS CA C 55.650 0.300 1 670 72 72 CYS CB C 30.715 0.300 1 671 72 72 CYS N N 112.473 0.300 1 672 73 73 GLU H H 8.658 0.030 1 673 73 73 GLU HA H 4.420 0.030 1 674 73 73 GLU HB2 H 1.996 0.030 1 675 73 73 GLU HB3 H 1.996 0.030 1 676 73 73 GLU HG2 H 2.275 0.030 2 677 73 73 GLU HG3 H 2.197 0.030 2 678 73 73 GLU C C 175.588 0.300 1 679 73 73 GLU CA C 56.405 0.300 1 680 73 73 GLU CB C 29.134 0.300 1 681 73 73 GLU CG C 36.115 0.300 1 682 73 73 GLU N N 122.663 0.300 1 683 74 74 ALA H H 8.764 0.030 1 684 74 74 ALA HA H 4.561 0.030 1 685 74 74 ALA HB H 1.269 0.030 1 686 74 74 ALA C C 176.080 0.300 1 687 74 74 ALA CA C 51.293 0.300 1 688 74 74 ALA CB C 20.436 0.300 1 689 74 74 ALA N N 130.518 0.300 1 690 75 75 LYS H H 8.768 0.030 1 691 75 75 LYS HA H 4.211 0.030 1 692 75 75 LYS HB2 H 1.809 0.030 2 693 75 75 LYS HB3 H 1.762 0.030 2 694 75 75 LYS HD2 H 1.676 0.030 1 695 75 75 LYS HD3 H 1.676 0.030 1 696 75 75 LYS HE2 H 2.951 0.030 1 697 75 75 LYS HE3 H 2.951 0.030 1 698 75 75 LYS HG2 H 1.345 0.030 2 699 75 75 LYS HG3 H 1.469 0.030 2 700 75 75 LYS C C 176.614 0.300 1 701 75 75 LYS CA C 57.063 0.300 1 702 75 75 LYS CB C 32.952 0.300 1 703 75 75 LYS CD C 29.109 0.300 1 704 75 75 LYS CE C 42.163 0.300 1 705 75 75 LYS CG C 25.026 0.300 1 706 75 75 LYS N N 124.343 0.300 1 707 76 76 ILE H H 8.630 0.030 1 708 76 76 ILE HA H 4.869 0.030 1 709 76 76 ILE HB H 1.640 0.030 1 710 76 76 ILE HD1 H 0.827 0.030 1 711 76 76 ILE HG12 H 1.805 0.030 2 712 76 76 ILE HG13 H 0.797 0.030 2 713 76 76 ILE HG2 H 0.759 0.030 1 714 76 76 ILE C C 175.626 0.300 1 715 76 76 ILE CA C 60.263 0.300 1 716 76 76 ILE CB C 41.017 0.300 1 717 76 76 ILE CD1 C 14.612 0.300 1 718 76 76 ILE CG1 C 28.015 0.300 1 719 76 76 ILE CG2 C 17.482 0.300 1 720 76 76 ILE N N 126.749 0.300 1 721 77 77 GLU H H 9.082 0.030 1 722 77 77 GLU HA H 4.604 0.030 1 723 77 77 GLU HB2 H 1.877 0.030 2 724 77 77 GLU HB3 H 1.765 0.030 2 725 77 77 GLU HG2 H 2.091 0.030 1 726 77 77 GLU HG3 H 2.091 0.030 1 727 77 77 GLU C C 174.403 0.300 1 728 77 77 GLU CA C 55.007 0.300 1 729 77 77 GLU CB C 32.130 0.300 1 730 77 77 GLU CG C 35.797 0.300 1 731 77 77 GLU N N 127.592 0.300 1 732 78 78 CYS H H 8.731 0.030 1 733 78 78 CYS HA H 5.035 0.030 1 734 78 78 CYS HB2 H 2.375 0.030 2 735 78 78 CYS HB3 H 2.798 0.030 2 736 78 78 CYS C C 173.436 0.300 1 737 78 78 CYS CA C 57.141 0.300 1 738 78 78 CYS CB C 28.726 0.300 1 739 78 78 CYS N N 123.288 0.300 1 740 79 79 SER H H 8.889 0.030 1 741 79 79 SER HA H 4.717 0.030 1 742 79 79 SER HB2 H 3.744 0.030 2 743 79 79 SER HB3 H 3.647 0.030 2 744 79 79 SER C C 172.759 0.300 1 745 79 79 SER CA C 56.700 0.300 1 746 79 79 SER CB C 64.535 0.300 1 747 79 79 SER N N 122.685 0.300 1 748 80 80 ASP H H 8.807 0.030 1 749 80 80 ASP HA H 4.721 0.030 1 750 80 80 ASP HB2 H 2.593 0.030 2 751 80 80 ASP HB3 H 2.838 0.030 2 752 80 80 ASP C C 177.252 0.300 1 753 80 80 ASP CA C 54.330 0.300 1 754 80 80 ASP CB C 41.497 0.300 1 755 80 80 ASP N N 126.372 0.300 1 756 81 81 ASN H H 8.832 0.030 1 757 81 81 ASN HA H 4.893 0.030 1 758 81 81 ASN HB2 H 2.725 0.030 2 759 81 81 ASN HB3 H 2.990 0.030 2 760 81 81 ASN HD21 H 7.190 0.030 2 761 81 81 ASN HD22 H 7.558 0.030 2 762 81 81 ASN C C 177.138 0.300 1 763 81 81 ASN CA C 54.447 0.300 1 764 81 81 ASN CB C 38.872 0.300 1 765 81 81 ASN N N 124.424 0.300 1 766 81 81 ASN ND2 N 114.239 0.300 1 767 82 82 GLY H H 9.257 0.030 1 768 82 82 GLY HA2 H 3.792 0.030 2 769 82 82 GLY HA3 H 4.095 0.030 2 770 82 82 GLY C C 173.356 0.300 1 771 82 82 GLY CA C 46.176 0.300 1 772 82 82 GLY N N 109.403 0.300 1 773 83 83 ASP H H 7.963 0.030 1 774 83 83 ASP HA H 4.721 0.030 1 775 83 83 ASP HB2 H 2.409 0.030 2 776 83 83 ASP HB3 H 3.007 0.030 2 777 83 83 ASP C C 177.039 0.300 1 778 83 83 ASP CA C 52.033 0.300 1 779 83 83 ASP CB C 41.134 0.300 1 780 83 83 ASP N N 118.837 0.300 1 781 84 84 GLY H H 9.035 0.030 1 782 84 84 GLY HA2 H 3.601 0.030 2 783 84 84 GLY HA3 H 4.243 0.030 2 784 84 84 GLY C C 173.297 0.300 1 785 84 84 GLY CA C 45.288 0.300 1 786 84 84 GLY N N 109.785 0.300 1 787 85 85 THR H H 8.081 0.030 1 788 85 85 THR HA H 5.784 0.030 1 789 85 85 THR HB H 4.096 0.030 1 790 85 85 THR HG2 H 1.093 0.030 1 791 85 85 THR C C 173.809 0.300 1 792 85 85 THR CA C 59.559 0.300 1 793 85 85 THR CB C 73.094 0.300 1 794 85 85 THR CG2 C 21.324 0.300 1 795 85 85 THR N N 110.335 0.300 1 796 86 86 CYS H H 9.143 0.030 1 797 86 86 CYS HA H 5.339 0.030 1 798 86 86 CYS HB2 H 2.578 0.030 2 799 86 86 CYS HB3 H 2.772 0.030 2 800 86 86 CYS C C 173.822 0.300 1 801 86 86 CYS CA C 56.326 0.300 1 802 86 86 CYS CB C 31.200 0.300 1 803 86 86 CYS N N 116.827 0.300 1 804 87 87 SER H H 8.940 0.030 1 805 87 87 SER HA H 4.791 0.030 1 806 87 87 SER HB2 H 3.724 0.030 2 807 87 87 SER HB3 H 3.961 0.030 2 808 87 87 SER C C 172.952 0.300 1 809 87 87 SER CA C 58.266 0.300 1 810 87 87 SER CB C 64.024 0.300 1 811 87 87 SER N N 120.963 0.300 1 812 88 88 VAL H H 8.760 0.030 1 813 88 88 VAL HA H 4.826 0.030 1 814 88 88 VAL HB H 0.003 0.030 1 815 88 88 VAL HG1 H 0.553 0.030 1 816 88 88 VAL HG2 H 0.509 0.030 1 817 88 88 VAL C C 174.711 0.300 1 818 88 88 VAL CA C 59.979 0.300 1 819 88 88 VAL CB C 33.546 0.300 1 820 88 88 VAL CG1 C 23.947 0.300 2 821 88 88 VAL CG2 C 21.992 0.300 2 822 88 88 VAL N N 127.417 0.300 1 823 89 89 SER H H 8.690 0.030 1 824 89 89 SER HA H 5.365 0.030 1 825 89 89 SER HB2 H 3.380 0.030 2 826 89 89 SER HB3 H 3.618 0.030 2 827 89 89 SER C C 173.004 0.300 1 828 89 89 SER CA C 56.617 0.300 1 829 89 89 SER CB C 66.376 0.300 1 830 89 89 SER N N 118.877 0.300 1 831 90 90 TYR H H 8.472 0.030 1 832 90 90 TYR HA H 5.775 0.030 1 833 90 90 TYR HB2 H 2.567 0.030 2 834 90 90 TYR HB3 H 2.706 0.030 2 835 90 90 TYR HD1 H 6.486 0.030 1 836 90 90 TYR HD2 H 6.486 0.030 1 837 90 90 TYR HE1 H 5.979 0.030 1 838 90 90 TYR HE2 H 5.979 0.030 1 839 90 90 TYR C C 173.432 0.300 1 840 90 90 TYR CA C 55.069 0.300 1 841 90 90 TYR CB C 41.717 0.300 1 842 90 90 TYR CD1 C 132.361 0.300 1 843 90 90 TYR CD2 C 132.361 0.300 1 844 90 90 TYR CE1 C 117.311 0.300 1 845 90 90 TYR CE2 C 117.311 0.300 1 846 90 90 TYR N N 117.749 0.300 1 847 91 91 LEU H H 7.700 0.030 1 848 91 91 LEU HA H 4.948 0.030 1 849 91 91 LEU HB2 H 1.262 0.030 2 850 91 91 LEU HB3 H 1.921 0.030 2 851 91 91 LEU HD1 H 0.645 0.030 1 852 91 91 LEU HD2 H 0.453 0.030 1 853 91 91 LEU HG H 1.240 0.030 1 854 91 91 LEU C C 173.337 0.300 1 855 91 91 LEU CA C 50.433 0.300 1 856 91 91 LEU CB C 42.451 0.300 1 857 91 91 LEU CD1 C 24.611 0.300 2 858 91 91 LEU CD2 C 22.986 0.300 2 859 91 91 LEU CG C 27.639 0.300 1 860 91 91 LEU N N 122.225 0.300 1 861 92 92 PRO HA H 4.713 0.030 1 862 92 92 PRO HB2 H 1.691 0.030 2 863 92 92 PRO HB3 H 1.272 0.030 2 864 92 92 PRO HD2 H 3.451 0.030 2 865 92 92 PRO HD3 H 4.025 0.030 2 866 92 92 PRO HG2 H 1.467 0.030 2 867 92 92 PRO HG3 H 2.142 0.030 2 868 92 92 PRO C C 177.948 0.300 1 869 92 92 PRO CA C 61.894 0.300 1 870 92 92 PRO CB C 32.943 0.300 1 871 92 92 PRO CD C 50.541 0.300 1 872 92 92 PRO CG C 27.048 0.300 1 873 93 93 THR H H 8.674 0.030 1 874 93 93 THR HA H 4.367 0.030 1 875 93 93 THR HB H 4.458 0.030 1 876 93 93 THR HG2 H 1.151 0.030 1 877 93 93 THR C C 174.221 0.300 1 878 93 93 THR CA C 61.788 0.300 1 879 93 93 THR CB C 69.279 0.300 1 880 93 93 THR CG2 C 21.525 0.300 1 881 93 93 THR N N 113.096 0.300 1 882 94 94 LYS H H 7.061 0.030 1 883 94 94 LYS HA H 4.766 0.030 1 884 94 94 LYS HB2 H 1.897 0.030 2 885 94 94 LYS HB3 H 1.406 0.030 2 886 94 94 LYS HD2 H 1.600 0.030 2 887 94 94 LYS HD3 H 1.740 0.030 2 888 94 94 LYS HE2 H 3.012 0.030 1 889 94 94 LYS HE3 H 3.012 0.030 1 890 94 94 LYS HG2 H 1.553 0.030 2 891 94 94 LYS HG3 H 1.486 0.030 2 892 94 94 LYS C C 173.921 0.300 1 893 94 94 LYS CA C 53.065 0.300 1 894 94 94 LYS CB C 36.292 0.300 1 895 94 94 LYS CD C 29.213 0.300 1 896 94 94 LYS CE C 42.196 0.300 1 897 94 94 LYS CG C 25.303 0.300 1 898 94 94 LYS N N 119.309 0.300 1 899 95 95 PRO HA H 4.283 0.030 1 900 95 95 PRO HB2 H 1.876 0.030 2 901 95 95 PRO HB3 H 2.239 0.030 2 902 95 95 PRO HD2 H 3.677 0.030 2 903 95 95 PRO HD3 H 3.799 0.030 2 904 95 95 PRO HG2 H 2.110 0.030 1 905 95 95 PRO HG3 H 2.110 0.030 1 906 95 95 PRO C C 174.338 0.300 1 907 95 95 PRO CA C 62.621 0.300 1 908 95 95 PRO CB C 32.425 0.300 1 909 95 95 PRO CD C 50.375 0.300 1 910 95 95 PRO CG C 26.697 0.300 1 911 96 96 GLY H H 8.870 0.030 1 912 96 96 GLY HA2 H 3.776 0.030 2 913 96 96 GLY HA3 H 4.475 0.030 2 914 96 96 GLY C C 171.596 0.300 1 915 96 96 GLY CA C 44.324 0.300 1 916 96 96 GLY N N 106.240 0.300 1 917 97 97 GLU H H 8.171 0.030 1 918 97 97 GLU HA H 4.745 0.030 1 919 97 97 GLU HB2 H 1.469 0.030 2 920 97 97 GLU HB3 H 1.822 0.030 2 921 97 97 GLU HG2 H 1.914 0.030 2 922 97 97 GLU HG3 H 2.155 0.030 2 923 97 97 GLU C C 175.110 0.300 1 924 97 97 GLU CA C 55.592 0.300 1 925 97 97 GLU CB C 31.011 0.300 1 926 97 97 GLU CG C 36.774 0.300 1 927 97 97 GLU N N 120.141 0.300 1 928 98 98 TYR H H 9.075 0.030 1 929 98 98 TYR HA H 5.045 0.030 1 930 98 98 TYR HB2 H 2.308 0.030 2 931 98 98 TYR HB3 H 2.785 0.030 2 932 98 98 TYR HD1 H 7.059 0.030 1 933 98 98 TYR HD2 H 7.059 0.030 1 934 98 98 TYR HE1 H 6.758 0.030 1 935 98 98 TYR HE2 H 6.758 0.030 1 936 98 98 TYR C C 174.016 0.300 1 937 98 98 TYR CA C 55.897 0.300 1 938 98 98 TYR CB C 40.013 0.300 1 939 98 98 TYR CD1 C 134.383 0.300 1 940 98 98 TYR CD2 C 134.383 0.300 1 941 98 98 TYR CE1 C 116.260 0.300 1 942 98 98 TYR CE2 C 116.260 0.300 1 943 98 98 TYR N N 124.416 0.300 1 944 99 99 PHE H H 9.242 0.030 1 945 99 99 PHE HA H 5.335 0.030 1 946 99 99 PHE HB2 H 2.880 0.030 2 947 99 99 PHE HB3 H 2.630 0.030 2 948 99 99 PHE HD1 H 6.974 0.030 1 949 99 99 PHE HD2 H 6.974 0.030 1 950 99 99 PHE HE1 H 7.186 0.030 1 951 99 99 PHE HE2 H 7.186 0.030 1 952 99 99 PHE HZ H 7.132 0.030 1 953 99 99 PHE C C 175.188 0.300 1 954 99 99 PHE CA C 56.154 0.300 1 955 99 99 PHE CB C 40.893 0.300 1 956 99 99 PHE CD1 C 131.398 0.300 1 957 99 99 PHE CD2 C 131.398 0.300 1 958 99 99 PHE CE1 C 131.275 0.300 1 959 99 99 PHE CE2 C 131.275 0.300 1 960 99 99 PHE CZ C 129.306 0.300 1 961 99 99 PHE N N 119.033 0.300 1 962 100 100 VAL H H 9.703 0.030 1 963 100 100 VAL HA H 4.198 0.030 1 964 100 100 VAL HB H 2.054 0.030 1 965 100 100 VAL HG1 H 0.541 0.030 1 966 100 100 VAL HG2 H 0.566 0.030 1 967 100 100 VAL C C 175.178 0.300 1 968 100 100 VAL CA C 62.081 0.300 1 969 100 100 VAL CB C 32.310 0.300 1 970 100 100 VAL CG1 C 21.113 0.300 2 971 100 100 VAL CG2 C 19.558 0.300 2 972 100 100 VAL N N 125.889 0.300 1 973 101 101 ASN H H 9.195 0.030 1 974 101 101 ASN HA H 5.033 0.030 1 975 101 101 ASN HB2 H 2.083 0.030 2 976 101 101 ASN HB3 H 3.251 0.030 2 977 101 101 ASN HD21 H 6.526 0.030 2 978 101 101 ASN HD22 H 6.923 0.030 2 979 101 101 ASN C C 173.810 0.300 1 980 101 101 ASN CA C 52.769 0.300 1 981 101 101 ASN CB C 40.678 0.300 1 982 101 101 ASN N N 127.123 0.300 1 983 101 101 ASN ND2 N 111.365 0.300 1 984 102 102 ILE H H 9.606 0.030 1 985 102 102 ILE HA H 4.645 0.030 1 986 102 102 ILE HB H 1.820 0.030 1 987 102 102 ILE HD1 H 0.643 0.030 1 988 102 102 ILE HG12 H 0.924 0.030 2 989 102 102 ILE HG13 H 1.666 0.030 2 990 102 102 ILE HG2 H 0.838 0.030 1 991 102 102 ILE C C 172.684 0.300 1 992 102 102 ILE CA C 61.176 0.300 1 993 102 102 ILE CB C 39.770 0.300 1 994 102 102 ILE CD1 C 15.287 0.300 1 995 102 102 ILE CG1 C 26.552 0.300 1 996 102 102 ILE CG2 C 18.385 0.300 1 997 102 102 ILE N N 123.417 0.300 1 998 103 103 LEU H H 8.885 0.030 1 999 103 103 LEU HA H 4.951 0.030 1 1000 103 103 LEU HB2 H 1.391 0.030 2 1001 103 103 LEU HB3 H 0.813 0.030 2 1002 103 103 LEU HD1 H -0.037 0.030 1 1003 103 103 LEU HD2 H 0.331 0.030 1 1004 103 103 LEU HG H 0.874 0.030 1 1005 103 103 LEU C C 176.343 0.300 1 1006 103 103 LEU CA C 53.010 0.300 1 1007 103 103 LEU CB C 44.755 0.300 1 1008 103 103 LEU CD1 C 23.350 0.300 2 1009 103 103 LEU CD2 C 25.201 0.300 2 1010 103 103 LEU CG C 28.143 0.300 1 1011 103 103 LEU N N 126.153 0.300 1 1012 104 104 PHE H H 9.280 0.030 1 1013 104 104 PHE HA H 5.244 0.030 1 1014 104 104 PHE HB2 H 2.534 0.030 2 1015 104 104 PHE HB3 H 2.842 0.030 2 1016 104 104 PHE HD1 H 6.780 0.030 1 1017 104 104 PHE HD2 H 6.780 0.030 1 1018 104 104 PHE HE1 H 7.120 0.030 1 1019 104 104 PHE HE2 H 7.120 0.030 1 1020 104 104 PHE HZ H 7.039 0.030 1 1021 104 104 PHE C C 174.979 0.300 1 1022 104 104 PHE CA C 56.470 0.300 1 1023 104 104 PHE CB C 43.054 0.300 1 1024 104 104 PHE CD1 C 130.717 0.300 1 1025 104 104 PHE CD2 C 130.717 0.300 1 1026 104 104 PHE CE1 C 131.549 0.300 1 1027 104 104 PHE CE2 C 131.549 0.300 1 1028 104 104 PHE CZ C 130.108 0.300 1 1029 104 104 PHE N N 122.689 0.300 1 1030 105 105 GLU H H 8.837 0.030 1 1031 105 105 GLU HA H 3.621 0.030 1 1032 105 105 GLU HB2 H 1.811 0.030 2 1033 105 105 GLU HB3 H 2.093 0.030 2 1034 105 105 GLU HG2 H 1.473 0.030 2 1035 105 105 GLU HG3 H 1.993 0.030 2 1036 105 105 GLU C C 175.597 0.300 1 1037 105 105 GLU CA C 56.803 0.300 1 1038 105 105 GLU CB C 27.706 0.300 1 1039 105 105 GLU CG C 36.781 0.300 1 1040 105 105 GLU N N 124.600 0.300 1 1041 106 106 GLU H H 8.670 0.030 1 1042 106 106 GLU HA H 3.393 0.030 1 1043 106 106 GLU HB2 H 2.254 0.030 2 1044 106 106 GLU HB3 H 2.160 0.030 2 1045 106 106 GLU HG2 H 2.050 0.030 2 1046 106 106 GLU HG3 H 1.914 0.030 2 1047 106 106 GLU C C 174.905 0.300 1 1048 106 106 GLU CA C 58.227 0.300 1 1049 106 106 GLU CB C 26.910 0.300 1 1050 106 106 GLU CG C 36.618 0.300 1 1051 106 106 GLU N N 105.328 0.300 1 1052 107 107 VAL H H 7.583 0.030 1 1053 107 107 VAL HA H 4.283 0.030 1 1054 107 107 VAL HB H 2.102 0.030 1 1055 107 107 VAL HG1 H 1.022 0.030 1 1056 107 107 VAL HG2 H 0.957 0.030 1 1057 107 107 VAL C C 175.950 0.300 1 1058 107 107 VAL CA C 61.069 0.300 1 1059 107 107 VAL CB C 34.562 0.300 1 1060 107 107 VAL CG1 C 20.794 0.300 2 1061 107 107 VAL CG2 C 21.241 0.300 2 1062 107 107 VAL N N 122.153 0.300 1 1063 108 108 HIS H H 8.548 0.030 1 1064 108 108 HIS HA H 4.481 0.030 1 1065 108 108 HIS HB2 H 3.048 0.030 2 1066 108 108 HIS HB3 H 2.882 0.030 2 1067 108 108 HIS HD2 H 7.051 0.030 1 1068 108 108 HIS HE1 H 7.954 0.030 1 1069 108 108 HIS C C 177.381 0.300 1 1070 108 108 HIS CA C 58.952 0.300 1 1071 108 108 HIS CB C 32.007 0.300 1 1072 108 108 HIS CD2 C 117.340 0.300 1 1073 108 108 HIS CE1 C 137.818 0.300 1 1074 108 108 HIS N N 126.095 0.300 1 1075 109 109 ILE H H 8.232 0.030 1 1076 109 109 ILE HA H 4.418 0.030 1 1077 109 109 ILE HB H 2.234 0.030 1 1078 109 109 ILE HD1 H 0.871 0.030 1 1079 109 109 ILE HG12 H 1.390 0.030 2 1080 109 109 ILE HG13 H 1.505 0.030 2 1081 109 109 ILE HG2 H 0.984 0.030 1 1082 109 109 ILE C C 173.496 0.300 1 1083 109 109 ILE CA C 60.498 0.300 1 1084 109 109 ILE CB C 35.680 0.300 1 1085 109 109 ILE CD1 C 16.133 0.300 1 1086 109 109 ILE CG1 C 24.807 0.300 1 1087 109 109 ILE CG2 C 18.105 0.300 1 1088 109 109 ILE N N 119.583 0.300 1 1089 110 110 PRO HA H 4.235 0.030 1 1090 110 110 PRO HB2 H 2.300 0.030 2 1091 110 110 PRO HB3 H 1.975 0.030 2 1092 110 110 PRO HD2 H 3.690 0.030 2 1093 110 110 PRO HD3 H 4.201 0.030 2 1094 110 110 PRO HG2 H 2.324 0.030 2 1095 110 110 PRO HG3 H 1.935 0.030 2 1096 110 110 PRO CA C 65.285 0.300 1 1097 110 110 PRO CB C 31.058 0.300 1 1098 110 110 PRO CD C 50.870 0.300 1 1099 110 110 PRO CG C 28.423 0.300 1 1100 111 111 GLY H H 8.183 0.030 1 1101 111 111 GLY HA2 H 4.067 0.030 2 1102 111 111 GLY HA3 H 3.062 0.030 2 1103 111 111 GLY C C 171.942 0.300 1 1104 111 111 GLY CA C 44.519 0.300 1 1105 111 111 GLY N N 114.006 0.300 1 1106 112 112 SER H H 7.610 0.030 1 1107 112 112 SER HA H 4.260 0.030 1 1108 112 112 SER HB2 H 4.452 0.030 2 1109 112 112 SER HB3 H 3.710 0.030 2 1110 112 112 SER C C 174.827 0.300 1 1111 112 112 SER CA C 54.990 0.300 1 1112 112 112 SER CB C 62.410 0.300 1 1113 112 112 SER N N 112.174 0.300 1 1114 113 113 PRO HA H 5.425 0.030 1 1115 113 113 PRO HB2 H 1.658 0.030 2 1116 113 113 PRO HB3 H 2.399 0.030 2 1117 113 113 PRO HD2 H 3.226 0.030 2 1118 113 113 PRO HD3 H 2.557 0.030 2 1119 113 113 PRO HG2 H 1.821 0.030 2 1120 113 113 PRO HG3 H 1.718 0.030 2 1121 113 113 PRO C C 176.495 0.300 1 1122 113 113 PRO CA C 62.263 0.300 1 1123 113 113 PRO CB C 33.642 0.300 1 1124 113 113 PRO CD C 50.058 0.300 1 1125 113 113 PRO CG C 24.781 0.300 1 1126 114 114 PHE H H 9.137 0.030 1 1127 114 114 PHE HA H 4.467 0.030 1 1128 114 114 PHE HB2 H 2.751 0.030 2 1129 114 114 PHE HB3 H 3.213 0.030 2 1130 114 114 PHE HD1 H 7.232 0.030 1 1131 114 114 PHE HD2 H 7.232 0.030 1 1132 114 114 PHE HE1 H 7.123 0.030 1 1133 114 114 PHE HE2 H 7.123 0.030 1 1134 114 114 PHE HZ H 7.350 0.030 1 1135 114 114 PHE C C 174.732 0.300 1 1136 114 114 PHE CA C 57.435 0.300 1 1137 114 114 PHE CB C 40.617 0.300 1 1138 114 114 PHE CD1 C 132.753 0.300 1 1139 114 114 PHE CD2 C 132.753 0.300 1 1140 114 114 PHE CE1 C 130.646 0.300 1 1141 114 114 PHE CE2 C 130.646 0.300 1 1142 114 114 PHE CZ C 129.630 0.300 1 1143 114 114 PHE N N 124.913 0.300 1 1144 115 115 LYS H H 8.641 0.030 1 1145 115 115 LYS HA H 4.524 0.030 1 1146 115 115 LYS HB2 H 1.507 0.030 2 1147 115 115 LYS HB3 H 1.684 0.030 2 1148 115 115 LYS HD2 H 1.499 0.030 1 1149 115 115 LYS HD3 H 1.499 0.030 1 1150 115 115 LYS HE2 H 2.843 0.030 1 1151 115 115 LYS HE3 H 2.843 0.030 1 1152 115 115 LYS HG2 H 0.664 0.030 1 1153 115 115 LYS HG3 H 0.664 0.030 1 1154 115 115 LYS C C 173.713 0.300 1 1155 115 115 LYS CA C 55.381 0.300 1 1156 115 115 LYS CB C 32.728 0.300 1 1157 115 115 LYS CD C 28.835 0.300 1 1158 115 115 LYS CE C 41.555 0.300 1 1159 115 115 LYS CG C 24.081 0.300 1 1160 115 115 LYS N N 124.795 0.300 1 1161 116 116 ALA H H 9.264 0.030 1 1162 116 116 ALA HA H 4.367 0.030 1 1163 116 116 ALA HB H 0.917 0.030 1 1164 116 116 ALA C C 175.724 0.300 1 1165 116 116 ALA CA C 49.925 0.300 1 1166 116 116 ALA CB C 21.188 0.300 1 1167 116 116 ALA N N 131.622 0.300 1 1168 117 117 ASP H H 7.492 0.030 1 1169 117 117 ASP HA H 5.018 0.030 1 1170 117 117 ASP HB2 H 2.577 0.030 1 1171 117 117 ASP HB3 H 2.577 0.030 1 1172 117 117 ASP C C 174.663 0.300 1 1173 117 117 ASP CA C 53.789 0.300 1 1174 117 117 ASP CB C 42.024 0.300 1 1175 117 117 ASP N N 121.878 0.300 1 1176 118 118 ILE H H 9.094 0.030 1 1177 118 118 ILE HA H 4.531 0.030 1 1178 118 118 ILE HB H 2.428 0.030 1 1179 118 118 ILE HD1 H 0.337 0.030 1 1180 118 118 ILE HG12 H 1.469 0.030 2 1181 118 118 ILE HG13 H 0.616 0.030 2 1182 118 118 ILE HG2 H 0.550 0.030 1 1183 118 118 ILE C C 176.928 0.300 1 1184 118 118 ILE CA C 57.683 0.300 1 1185 118 118 ILE CB C 34.956 0.300 1 1186 118 118 ILE CD1 C 7.346 0.300 1 1187 118 118 ILE CG1 C 27.292 0.300 1 1188 118 118 ILE CG2 C 17.509 0.300 1 1189 118 118 ILE N N 126.881 0.300 1 1190 119 119 GLU H H 8.493 0.030 1 1191 119 119 GLU HA H 4.775 0.030 1 1192 119 119 GLU HB2 H 1.860 0.030 2 1193 119 119 GLU HB3 H 2.132 0.030 2 1194 119 119 GLU HG2 H 2.239 0.030 1 1195 119 119 GLU HG3 H 2.239 0.030 1 1196 119 119 GLU C C 176.003 0.300 1 1197 119 119 GLU CA C 54.558 0.300 1 1198 119 119 GLU CB C 33.321 0.300 1 1199 119 119 GLU CG C 36.257 0.300 1 1200 119 119 GLU N N 128.168 0.300 1 1201 120 120 MET H H 8.950 0.030 1 1202 120 120 MET HA H 4.747 0.030 1 1203 120 120 MET HB2 H 1.870 0.030 2 1204 120 120 MET HB3 H 2.111 0.030 2 1205 120 120 MET HE H 2.131 0.030 1 1206 120 120 MET HG2 H 2.689 0.030 2 1207 120 120 MET HG3 H 2.522 0.030 2 1208 120 120 MET C C 174.679 0.300 1 1209 120 120 MET CA C 52.907 0.300 1 1210 120 120 MET CB C 32.293 0.300 1 1211 120 120 MET CE C 16.881 0.300 1 1212 120 120 MET CG C 32.225 0.300 1 1213 120 120 MET N N 120.556 0.300 1 1214 121 121 PRO HA H 4.423 0.030 1 1215 121 121 PRO HB2 H 1.920 0.030 2 1216 121 121 PRO HB3 H 2.246 0.030 2 1217 121 121 PRO HD2 H 3.568 0.030 2 1218 121 121 PRO HD3 H 3.783 0.030 2 1219 121 121 PRO C C 175.900 0.300 1 1220 121 121 PRO CA C 62.887 0.300 1 1221 121 121 PRO CB C 32.056 0.300 1 1222 121 121 PRO CD C 50.623 0.300 1 1223 121 121 PRO CG C 27.378 0.300 1 1224 122 122 PHE H H 8.353 0.030 1 1225 122 122 PHE HA H 4.480 0.030 1 1226 122 122 PHE HB2 H 2.911 0.030 2 1227 122 122 PHE HB3 H 3.102 0.030 2 1228 122 122 PHE HD1 H 7.188 0.030 1 1229 122 122 PHE HD2 H 7.188 0.030 1 1230 122 122 PHE HE1 H 7.308 0.030 1 1231 122 122 PHE HE2 H 7.308 0.030 1 1232 122 122 PHE HZ H 7.276 0.030 1 1233 122 122 PHE C C 174.622 0.300 1 1234 122 122 PHE CA C 57.702 0.300 1 1235 122 122 PHE CB C 39.785 0.300 1 1236 122 122 PHE CD1 C 131.884 0.300 1 1237 122 122 PHE CD2 C 131.884 0.300 1 1238 122 122 PHE CE1 C 131.358 0.300 1 1239 122 122 PHE CE2 C 131.358 0.300 1 1240 122 122 PHE CZ C 129.873 0.300 1 1241 122 122 PHE N N 121.636 0.300 1 1242 123 123 ASP H H 8.244 0.030 1 1243 123 123 ASP HA H 4.812 0.030 1 1244 123 123 ASP HB2 H 2.433 0.030 2 1245 123 123 ASP HB3 H 2.695 0.030 2 1246 123 123 ASP C C 174.496 0.300 1 1247 123 123 ASP CA C 50.911 0.300 1 1248 123 123 ASP CB C 41.658 0.300 1 1249 123 123 ASP N N 125.507 0.300 1 1250 124 124 PRO HA H 4.441 0.030 1 1251 124 124 PRO HB2 H 2.238 0.030 2 1252 124 124 PRO HB3 H 1.930 0.030 2 1253 124 124 PRO HD2 H 3.576 0.030 1 1254 124 124 PRO HD3 H 3.576 0.030 1 1255 124 124 PRO HG2 H 1.970 0.030 1 1256 124 124 PRO HG3 H 1.970 0.030 1 1257 124 124 PRO C C 177.437 0.300 1 1258 124 124 PRO CA C 63.234 0.300 1 1259 124 124 PRO CB C 32.159 0.300 1 1260 124 124 PRO CD C 49.749 0.300 1 1261 124 124 PRO CG C 26.920 0.300 1 1262 125 125 SER H H 8.520 0.030 1 1263 125 125 SER CA C 58.289 0.300 1 1264 125 125 SER CB C 63.894 0.300 1 1265 125 125 SER N N 116.520 0.300 1 1266 128 128 PRO HA H 4.302 0.030 1 1267 128 128 PRO HB2 H 2.004 0.030 2 1268 128 128 PRO HB3 H 2.265 0.030 2 1269 128 128 PRO HD2 H 3.584 0.030 2 1270 128 128 PRO HD3 H 3.759 0.030 2 1271 128 128 PRO HG2 H 1.954 0.030 1 1272 128 128 PRO HG3 H 1.954 0.030 1 1273 128 128 PRO C C 177.385 0.300 1 1274 128 128 PRO CA C 63.593 0.300 1 1275 128 128 PRO CB C 32.070 0.300 1 1276 128 128 PRO CD C 50.803 0.300 1 1277 128 128 PRO CG C 26.883 0.300 1 1278 129 129 SER H H 8.359 0.030 1 1279 129 129 SER HA H 4.336 0.030 1 1280 129 129 SER HB2 H 3.799 0.030 2 1281 129 129 SER HB3 H 3.854 0.030 2 1282 129 129 SER C C 174.747 0.300 1 1283 129 129 SER CA C 59.248 0.300 1 1284 129 129 SER CB C 63.646 0.300 1 1285 129 129 SER N N 115.443 0.300 1 1286 130 130 SER HA H 4.475 0.030 1 1287 130 130 SER HB2 H 3.877 0.030 1 1288 130 130 SER HB3 H 3.877 0.030 1 1289 130 130 SER C C 173.965 0.300 1 1290 130 130 SER CA C 58.371 0.300 1 1291 130 130 SER CB C 63.966 0.300 1 1292 131 131 GLY H H 8.037 0.030 1 1293 131 131 GLY C C 179.018 0.300 1 1294 131 131 GLY CA C 46.206 0.300 1 1295 131 131 GLY N N 116.885 0.300 1 stop_ save_