data_10326 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the 18th Filamin domain from human Filamin-B ; _BMRB_accession_number 10326 _BMRB_flat_file_name bmr10326.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" 608 "13C chemical shifts" 465 "15N chemical shifts" 104 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 18th 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 116 _Mol_residue_sequence ; GSSGSSGIPGSPFTAKITDD SRRCSQVKLGSAADFLLDIS ETDLSSLTASIKAPSGRDEP CLLKRLPNNHIGISFIPREV GEHLVSIKKNGNHVANSPVS IMVVQSEIGDSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ILE 9 PRO 10 GLY 11 SER 12 PRO 13 PHE 14 THR 15 ALA 16 LYS 17 ILE 18 THR 19 ASP 20 ASP 21 SER 22 ARG 23 ARG 24 CYS 25 SER 26 GLN 27 VAL 28 LYS 29 LEU 30 GLY 31 SER 32 ALA 33 ALA 34 ASP 35 PHE 36 LEU 37 LEU 38 ASP 39 ILE 40 SER 41 GLU 42 THR 43 ASP 44 LEU 45 SER 46 SER 47 LEU 48 THR 49 ALA 50 SER 51 ILE 52 LYS 53 ALA 54 PRO 55 SER 56 GLY 57 ARG 58 ASP 59 GLU 60 PRO 61 CYS 62 LEU 63 LEU 64 LYS 65 ARG 66 LEU 67 PRO 68 ASN 69 ASN 70 HIS 71 ILE 72 GLY 73 ILE 74 SER 75 PHE 76 ILE 77 PRO 78 ARG 79 GLU 80 VAL 81 GLY 82 GLU 83 HIS 84 LEU 85 VAL 86 SER 87 ILE 88 LYS 89 LYS 90 ASN 91 GLY 92 ASN 93 HIS 94 VAL 95 ALA 96 ASN 97 SER 98 PRO 99 VAL 100 SER 101 ILE 102 MET 103 VAL 104 VAL 105 GLN 106 SER 107 GLU 108 ILE 109 GLY 110 ASP 111 SER 112 GLY 113 PRO 114 SER 115 SER 116 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 2DMC "Solution Structure Of The 18th Filamin Domain From Human Filamin-B" 100.00 116 100.00 100.00 9.17e-75 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 P051205-16 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 1.14 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name topspin _Version 1.3 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20060324 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 II' _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 296 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'Filamin 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 7 7 GLY HA2 H 3.946 0.030 1 2 7 7 GLY HA3 H 3.946 0.030 1 3 7 7 GLY C C 173.665 0.300 1 4 7 7 GLY CA C 45.143 0.300 1 5 8 8 ILE H H 8.048 0.030 1 6 8 8 ILE HA H 4.473 0.030 1 7 8 8 ILE HB H 1.855 0.030 1 8 8 8 ILE HD1 H 0.852 0.030 1 9 8 8 ILE HG12 H 1.157 0.030 2 10 8 8 ILE HG13 H 1.480 0.030 2 11 8 8 ILE HG2 H 0.941 0.030 1 12 8 8 ILE C C 174.811 0.300 1 13 8 8 ILE CA C 58.703 0.300 1 14 8 8 ILE CB C 38.647 0.300 1 15 8 8 ILE CD1 C 12.904 0.300 1 16 8 8 ILE CG1 C 27.025 0.300 1 17 8 8 ILE CG2 C 17.086 0.300 1 18 8 8 ILE N N 121.808 0.300 1 19 9 9 PRO HA H 4.398 0.030 1 20 9 9 PRO HB2 H 1.930 0.030 2 21 9 9 PRO HB3 H 2.300 0.030 2 22 9 9 PRO HD2 H 3.693 0.030 2 23 9 9 PRO HD3 H 3.930 0.030 2 24 9 9 PRO HG2 H 2.067 0.030 2 25 9 9 PRO HG3 H 1.981 0.030 2 26 9 9 PRO C C 177.445 0.300 1 27 9 9 PRO CA C 63.624 0.300 1 28 9 9 PRO CB C 32.061 0.300 1 29 9 9 PRO CD C 51.135 0.300 1 30 9 9 PRO CG C 27.464 0.300 1 31 10 10 GLY H H 8.511 0.030 1 32 10 10 GLY HA2 H 3.955 0.030 1 33 10 10 GLY HA3 H 3.955 0.030 1 34 10 10 GLY C C 173.899 0.300 1 35 10 10 GLY CA C 45.119 0.300 1 36 10 10 GLY N N 109.753 0.300 1 37 12 12 PRO HA H 4.422 0.030 1 38 12 12 PRO HB2 H 1.701 0.030 2 39 12 12 PRO HB3 H 2.178 0.030 2 40 12 12 PRO HD2 H 3.647 0.030 2 41 12 12 PRO HD3 H 3.769 0.030 2 42 12 12 PRO HG2 H 1.914 0.030 2 43 12 12 PRO HG3 H 1.758 0.030 2 44 12 12 PRO C C 176.632 0.300 1 45 12 12 PRO CA C 63.421 0.300 1 46 12 12 PRO CB C 31.934 0.300 1 47 12 12 PRO CD C 50.712 0.300 1 48 12 12 PRO CG C 27.084 0.300 1 49 13 13 PHE H H 8.168 0.030 1 50 13 13 PHE HA H 4.658 0.030 1 51 13 13 PHE HB2 H 3.160 0.030 2 52 13 13 PHE HB3 H 3.021 0.030 2 53 13 13 PHE HD1 H 7.233 0.030 1 54 13 13 PHE HD2 H 7.233 0.030 1 55 13 13 PHE HE1 H 7.332 0.030 1 56 13 13 PHE HE2 H 7.332 0.030 1 57 13 13 PHE HZ H 7.279 0.030 1 58 13 13 PHE C C 175.768 0.300 1 59 13 13 PHE CA C 57.745 0.300 1 60 13 13 PHE CB C 39.419 0.300 1 61 13 13 PHE CD1 C 131.732 0.300 1 62 13 13 PHE CD2 C 131.732 0.300 1 63 13 13 PHE CE1 C 131.552 0.300 1 64 13 13 PHE CE2 C 131.552 0.300 1 65 13 13 PHE CZ C 129.861 0.300 1 66 13 13 PHE N N 119.618 0.300 1 67 14 14 THR H H 7.926 0.030 1 68 14 14 THR HA H 4.280 0.030 1 69 14 14 THR HB H 4.126 0.030 1 70 14 14 THR HG2 H 1.165 0.030 1 71 14 14 THR C C 173.682 0.300 1 72 14 14 THR CA C 61.606 0.300 1 73 14 14 THR CB C 69.996 0.300 1 74 14 14 THR CG2 C 21.576 0.300 1 75 14 14 THR N N 116.175 0.300 1 76 15 15 ALA H H 8.202 0.030 1 77 15 15 ALA HA H 4.288 0.030 1 78 15 15 ALA HB H 1.377 0.030 1 79 15 15 ALA C C 177.266 0.300 1 80 15 15 ALA CA C 52.379 0.300 1 81 15 15 ALA CB C 19.441 0.300 1 82 15 15 ALA N N 126.852 0.300 1 83 16 16 LYS H H 8.303 0.030 1 84 16 16 LYS HA H 4.349 0.030 1 85 16 16 LYS HB2 H 1.731 0.030 2 86 16 16 LYS HB3 H 1.799 0.030 2 87 16 16 LYS HD2 H 1.657 0.030 1 88 16 16 LYS HD3 H 1.657 0.030 1 89 16 16 LYS HE2 H 2.968 0.030 1 90 16 16 LYS HE3 H 2.968 0.030 1 91 16 16 LYS HG2 H 1.377 0.030 2 92 16 16 LYS HG3 H 1.438 0.030 2 93 16 16 LYS C C 176.573 0.300 1 94 16 16 LYS CA C 56.153 0.300 1 95 16 16 LYS CB C 33.194 0.300 1 96 16 16 LYS CD C 29.177 0.300 1 97 16 16 LYS CE C 42.133 0.300 1 98 16 16 LYS CG C 24.791 0.300 1 99 16 16 LYS N N 121.072 0.300 1 100 17 17 ILE H H 8.316 0.030 1 101 17 17 ILE HA H 4.223 0.030 1 102 17 17 ILE HB H 1.865 0.030 1 103 17 17 ILE HD1 H 0.839 0.030 1 104 17 17 ILE HG12 H 1.465 0.030 2 105 17 17 ILE HG13 H 1.191 0.030 2 106 17 17 ILE HG2 H 0.906 0.030 1 107 17 17 ILE C C 176.384 0.300 1 108 17 17 ILE CA C 61.298 0.300 1 109 17 17 ILE CB C 38.666 0.300 1 110 17 17 ILE CD1 C 12.967 0.300 1 111 17 17 ILE CG1 C 27.356 0.300 1 112 17 17 ILE CG2 C 17.586 0.300 1 113 17 17 ILE N N 123.013 0.300 1 114 18 18 THR H H 8.180 0.030 1 115 18 18 THR HA H 4.374 0.030 1 116 18 18 THR HB H 4.259 0.030 1 117 18 18 THR HG2 H 1.179 0.030 1 118 18 18 THR C C 174.214 0.300 1 119 18 18 THR CA C 61.566 0.300 1 120 18 18 THR CB C 69.992 0.300 1 121 18 18 THR CG2 C 21.642 0.300 1 122 18 18 THR N N 117.569 0.300 1 123 19 19 ASP H H 8.333 0.030 1 124 19 19 ASP HA H 4.612 0.030 1 125 19 19 ASP HB2 H 2.685 0.030 1 126 19 19 ASP HB3 H 2.685 0.030 1 127 19 19 ASP C C 176.221 0.300 1 128 19 19 ASP CA C 54.502 0.300 1 129 19 19 ASP CB C 41.155 0.300 1 130 19 19 ASP N N 122.810 0.300 1 131 20 20 ASP H H 8.397 0.030 1 132 20 20 ASP HA H 4.612 0.030 1 133 20 20 ASP HB2 H 2.673 0.030 2 134 20 20 ASP HB3 H 2.724 0.030 2 135 20 20 ASP C C 176.964 0.300 1 136 20 20 ASP CA C 54.752 0.300 1 137 20 20 ASP CB C 41.187 0.300 1 138 20 20 ASP N N 121.646 0.300 1 139 21 21 SER H H 8.371 0.030 1 140 21 21 SER HA H 4.352 0.030 1 141 21 21 SER HB2 H 3.923 0.030 2 142 21 21 SER HB3 H 3.956 0.030 2 143 21 21 SER C C 175.060 0.300 1 144 21 21 SER CA C 59.695 0.300 1 145 21 21 SER CB C 63.615 0.300 1 146 21 21 SER N N 116.686 0.300 1 147 22 22 ARG H H 8.158 0.030 1 148 22 22 ARG HA H 4.352 0.030 1 149 22 22 ARG HB2 H 1.822 0.030 2 150 22 22 ARG HB3 H 1.922 0.030 2 151 22 22 ARG HD2 H 3.215 0.030 1 152 22 22 ARG HD3 H 3.215 0.030 1 153 22 22 ARG HG2 H 1.633 0.030 2 154 22 22 ARG HG3 H 1.680 0.030 2 155 22 22 ARG C C 176.431 0.300 1 156 22 22 ARG CA C 56.468 0.300 1 157 22 22 ARG CB C 30.548 0.300 1 158 22 22 ARG CD C 43.396 0.300 1 159 22 22 ARG CG C 27.267 0.300 1 160 22 22 ARG N N 121.669 0.300 1 161 23 23 ARG H H 8.194 0.030 1 162 23 23 ARG HA H 4.348 0.030 1 163 23 23 ARG HB2 H 1.824 0.030 2 164 23 23 ARG HB3 H 1.920 0.030 2 165 23 23 ARG HD2 H 3.209 0.030 2 166 23 23 ARG HG2 H 1.664 0.030 2 167 23 23 ARG HG3 H 1.627 0.030 2 168 23 23 ARG C C 176.207 0.300 1 169 23 23 ARG CA C 56.397 0.300 1 170 23 23 ARG CB C 30.749 0.300 1 171 23 23 ARG CD C 43.369 0.300 1 172 23 23 ARG CG C 27.223 0.300 1 173 23 23 ARG N N 121.370 0.300 1 174 24 24 CYS H H 8.332 0.030 1 175 24 24 CYS HA H 4.705 0.030 1 176 24 24 CYS HB2 H 2.918 0.030 1 177 24 24 CYS HB3 H 2.918 0.030 1 178 24 24 CYS C C 174.485 0.300 1 179 24 24 CYS CA C 58.331 0.300 1 180 24 24 CYS CB C 28.612 0.300 1 181 24 24 CYS N N 120.071 0.300 1 182 25 25 SER H H 8.564 0.030 1 183 25 25 SER HA H 4.577 0.030 1 184 25 25 SER HB2 H 3.877 0.030 1 185 25 25 SER HB3 H 3.877 0.030 1 186 25 25 SER C C 173.377 0.300 1 187 25 25 SER CA C 58.592 0.300 1 188 25 25 SER CB C 64.296 0.300 1 189 25 25 SER N N 119.092 0.300 1 190 26 26 GLN H H 8.346 0.030 1 191 26 26 GLN HA H 4.903 0.030 1 192 26 26 GLN HB2 H 1.953 0.030 1 193 26 26 GLN HB3 H 1.953 0.030 1 194 26 26 GLN HE21 H 6.879 0.030 2 195 26 26 GLN HE22 H 7.483 0.030 2 196 26 26 GLN HG2 H 2.217 0.030 2 197 26 26 GLN HG3 H 2.320 0.030 2 198 26 26 GLN C C 175.667 0.300 1 199 26 26 GLN CA C 55.228 0.300 1 200 26 26 GLN CB C 30.306 0.300 1 201 26 26 GLN CG C 34.081 0.300 1 202 26 26 GLN N N 122.473 0.300 1 203 26 26 GLN NE2 N 111.904 0.300 1 204 27 27 VAL H H 8.559 0.030 1 205 27 27 VAL HA H 4.370 0.030 1 206 27 27 VAL HB H 2.084 0.030 1 207 27 27 VAL HG1 H 0.798 0.030 1 208 27 27 VAL HG2 H 0.779 0.030 1 209 27 27 VAL C C 174.529 0.300 1 210 27 27 VAL CA C 60.598 0.300 1 211 27 27 VAL CB C 34.377 0.300 1 212 27 27 VAL CG1 C 21.690 0.300 2 213 27 27 VAL CG2 C 20.775 0.300 2 214 27 27 VAL N N 120.304 0.300 1 215 28 28 LYS H H 8.394 0.030 1 216 28 28 LYS HA H 4.573 0.030 1 217 28 28 LYS HB2 H 1.619 0.030 2 218 28 28 LYS HB3 H 1.683 0.030 2 219 28 28 LYS HD2 H 1.640 0.030 1 220 28 28 LYS HD3 H 1.640 0.030 1 221 28 28 LYS HE2 H 2.963 0.030 1 222 28 28 LYS HE3 H 2.963 0.030 1 223 28 28 LYS HG2 H 1.373 0.030 1 224 28 28 LYS HG3 H 1.373 0.030 1 225 28 28 LYS C C 176.432 0.300 1 226 28 28 LYS CA C 55.090 0.300 1 227 28 28 LYS CB C 33.713 0.300 1 228 28 28 LYS CD C 29.293 0.300 1 229 28 28 LYS CE C 42.122 0.300 1 230 28 28 LYS CG C 24.670 0.300 1 231 28 28 LYS N N 124.171 0.300 1 232 29 29 LEU H H 8.459 0.030 1 233 29 29 LEU HA H 3.883 0.030 1 234 29 29 LEU HB2 H 1.448 0.030 1 235 29 29 LEU HB3 H 1.448 0.030 1 236 29 29 LEU HD1 H 0.582 0.030 1 237 29 29 LEU HD2 H 0.679 0.030 1 238 29 29 LEU HG H 1.473 0.030 1 239 29 29 LEU C C 178.579 0.300 1 240 29 29 LEU CA C 56.291 0.300 1 241 29 29 LEU CB C 41.574 0.300 1 242 29 29 LEU CD1 C 23.665 0.300 2 243 29 29 LEU CD2 C 24.767 0.300 2 244 29 29 LEU CG C 26.917 0.300 1 245 29 29 LEU N N 124.370 0.300 1 246 30 30 GLY H H 8.758 0.030 1 247 30 30 GLY HA2 H 3.490 0.030 2 248 30 30 GLY HA3 H 4.240 0.030 2 249 30 30 GLY C C 173.590 0.300 1 250 30 30 GLY CA C 45.637 0.300 1 251 30 30 GLY N N 110.775 0.300 1 252 31 31 SER H H 7.743 0.030 1 253 31 31 SER HA H 4.654 0.030 1 254 31 31 SER HB2 H 3.834 0.030 2 255 31 31 SER HB3 H 3.713 0.030 2 256 31 31 SER C C 172.474 0.300 1 257 31 31 SER CA C 57.206 0.300 1 258 31 31 SER CB C 65.324 0.300 1 259 31 31 SER N N 115.642 0.300 1 260 32 32 ALA H H 8.493 0.030 1 261 32 32 ALA HA H 4.173 0.030 1 262 32 32 ALA HB H 1.197 0.030 1 263 32 32 ALA C C 176.514 0.300 1 264 32 32 ALA CA C 53.069 0.300 1 265 32 32 ALA CB C 18.717 0.300 1 266 32 32 ALA N N 125.150 0.300 1 267 33 33 ALA H H 8.549 0.030 1 268 33 33 ALA HA H 4.432 0.030 1 269 33 33 ALA HB H 1.031 0.030 1 270 33 33 ALA C C 174.546 0.300 1 271 33 33 ALA CA C 50.987 0.300 1 272 33 33 ALA CB C 21.982 0.300 1 273 33 33 ALA N N 125.661 0.300 1 274 34 34 ASP H H 7.855 0.030 1 275 34 34 ASP HA H 5.448 0.030 1 276 34 34 ASP HB2 H 2.278 0.030 2 277 34 34 ASP HB3 H 2.373 0.030 2 278 34 34 ASP C C 175.666 0.300 1 279 34 34 ASP CA C 52.864 0.300 1 280 34 34 ASP CB C 43.001 0.300 1 281 34 34 ASP N N 118.885 0.300 1 282 35 35 PHE H H 9.077 0.030 1 283 35 35 PHE HA H 4.779 0.030 1 284 35 35 PHE HB2 H 2.794 0.030 2 285 35 35 PHE HB3 H 3.034 0.030 2 286 35 35 PHE HD1 H 7.172 0.030 1 287 35 35 PHE HD2 H 7.172 0.030 1 288 35 35 PHE HE1 H 7.066 0.030 1 289 35 35 PHE HE2 H 7.066 0.030 1 290 35 35 PHE HZ H 6.935 0.030 1 291 35 35 PHE C C 174.439 0.300 1 292 35 35 PHE CA C 56.778 0.300 1 293 35 35 PHE CB C 41.758 0.300 1 294 35 35 PHE CD1 C 132.103 0.300 1 295 35 35 PHE CD2 C 132.103 0.300 1 296 35 35 PHE CE1 C 131.456 0.300 1 297 35 35 PHE CE2 C 131.456 0.300 1 298 35 35 PHE CZ C 128.954 0.300 1 299 35 35 PHE N N 120.622 0.300 1 300 36 36 LEU H H 8.451 0.030 1 301 36 36 LEU HA H 4.380 0.030 1 302 36 36 LEU HB2 H 1.522 0.030 1 303 36 36 LEU HB3 H 1.522 0.030 1 304 36 36 LEU HD1 H 0.736 0.030 1 305 36 36 LEU HD2 H 0.681 0.030 1 306 36 36 LEU HG H 1.483 0.030 1 307 36 36 LEU C C 176.164 0.300 1 308 36 36 LEU CA C 55.887 0.300 1 309 36 36 LEU CB C 43.007 0.300 1 310 36 36 LEU CD1 C 25.120 0.300 2 311 36 36 LEU CD2 C 24.931 0.300 2 312 36 36 LEU CG C 27.409 0.300 1 313 36 36 LEU N N 125.491 0.300 1 314 37 37 LEU H H 8.627 0.030 1 315 37 37 LEU HA H 4.745 0.030 1 316 37 37 LEU HB2 H 1.742 0.030 2 317 37 37 LEU HB3 H 1.271 0.030 2 318 37 37 LEU HD1 H 0.747 0.030 1 319 37 37 LEU HD2 H 0.864 0.030 1 320 37 37 LEU HG H 1.731 0.030 1 321 37 37 LEU C C 176.158 0.300 1 322 37 37 LEU CA C 53.279 0.300 1 323 37 37 LEU CB C 45.091 0.300 1 324 37 37 LEU CD1 C 26.616 0.300 2 325 37 37 LEU CD2 C 23.352 0.300 2 326 37 37 LEU CG C 26.692 0.300 1 327 37 37 LEU N N 122.936 0.300 1 328 38 38 ASP H H 9.024 0.030 1 329 38 38 ASP HA H 4.821 0.030 1 330 38 38 ASP HB2 H 2.806 0.030 2 331 38 38 ASP HB3 H 2.479 0.030 2 332 38 38 ASP C C 175.129 0.300 1 333 38 38 ASP CA C 53.247 0.300 1 334 38 38 ASP CB C 39.466 0.300 1 335 38 38 ASP N N 124.869 0.300 1 336 39 39 ILE H H 7.383 0.030 1 337 39 39 ILE HA H 4.576 0.030 1 338 39 39 ILE HB H 1.957 0.030 1 339 39 39 ILE HD1 H 0.796 0.030 1 340 39 39 ILE HG12 H 1.031 0.030 2 341 39 39 ILE HG13 H 1.401 0.030 2 342 39 39 ILE HG2 H 0.866 0.030 1 343 39 39 ILE C C 175.137 0.300 1 344 39 39 ILE CA C 59.422 0.300 1 345 39 39 ILE CB C 41.233 0.300 1 346 39 39 ILE CD1 C 14.164 0.300 1 347 39 39 ILE CG1 C 25.914 0.300 1 348 39 39 ILE CG2 C 17.586 0.300 1 349 39 39 ILE N N 116.249 0.300 1 350 40 40 SER H H 8.795 0.030 1 351 40 40 SER HA H 4.636 0.030 1 352 40 40 SER HB2 H 3.812 0.030 1 353 40 40 SER HB3 H 3.812 0.030 1 354 40 40 SER C C 174.178 0.300 1 355 40 40 SER CA C 57.792 0.300 1 356 40 40 SER CB C 63.716 0.300 1 357 40 40 SER N N 118.545 0.300 1 358 41 41 GLU H H 7.576 0.030 1 359 41 41 GLU HA H 4.321 0.030 1 360 41 41 GLU HB2 H 1.808 0.030 2 361 41 41 GLU HB3 H 1.870 0.030 2 362 41 41 GLU HG2 H 2.056 0.030 2 363 41 41 GLU HG3 H 2.250 0.030 2 364 41 41 GLU C C 175.214 0.300 1 365 41 41 GLU CA C 56.049 0.300 1 366 41 41 GLU CB C 31.695 0.300 1 367 41 41 GLU CG C 35.968 0.300 1 368 41 41 GLU N N 122.634 0.300 1 369 42 42 THR H H 8.227 0.030 1 370 42 42 THR HA H 4.307 0.030 1 371 42 42 THR HB H 4.254 0.030 1 372 42 42 THR HG2 H 1.182 0.030 1 373 42 42 THR C C 174.576 0.300 1 374 42 42 THR CA C 62.534 0.300 1 375 42 42 THR CB C 69.838 0.300 1 376 42 42 THR CG2 C 21.540 0.300 1 377 42 42 THR N N 113.262 0.300 1 378 43 43 ASP H H 8.765 0.030 1 379 43 43 ASP HA H 4.890 0.030 1 380 43 43 ASP HB2 H 2.591 0.030 2 381 43 43 ASP HB3 H 2.889 0.030 2 382 43 43 ASP C C 176.580 0.300 1 383 43 43 ASP CA C 52.536 0.300 1 384 43 43 ASP CB C 40.507 0.300 1 385 43 43 ASP N N 122.780 0.300 1 386 44 44 LEU H H 8.422 0.030 1 387 44 44 LEU HA H 3.899 0.030 1 388 44 44 LEU HB2 H 1.670 0.030 1 389 44 44 LEU HB3 H 1.670 0.030 1 390 44 44 LEU HD1 H 0.847 0.030 1 391 44 44 LEU HD2 H 0.779 0.030 1 392 44 44 LEU HG H 1.692 0.030 1 393 44 44 LEU C C 178.663 0.300 1 394 44 44 LEU CA C 57.598 0.300 1 395 44 44 LEU CB C 41.767 0.300 1 396 44 44 LEU CD1 C 25.293 0.300 2 397 44 44 LEU CD2 C 24.625 0.300 2 398 44 44 LEU CG C 27.278 0.300 1 399 44 44 LEU N N 125.424 0.300 1 400 45 45 SER H H 8.299 0.030 1 401 45 45 SER HA H 4.277 0.030 1 402 45 45 SER HB2 H 4.002 0.030 1 403 45 45 SER HB3 H 4.002 0.030 1 404 45 45 SER C C 175.174 0.300 1 405 45 45 SER CA C 61.110 0.300 1 406 45 45 SER CB C 63.039 0.300 1 407 45 45 SER N N 113.715 0.300 1 408 46 46 SER H H 7.672 0.030 1 409 46 46 SER HA H 4.514 0.030 1 410 46 46 SER HB2 H 3.893 0.030 2 411 46 46 SER HB3 H 3.946 0.030 2 412 46 46 SER C C 173.688 0.300 1 413 46 46 SER CA C 58.791 0.300 1 414 46 46 SER CB C 64.292 0.300 1 415 46 46 SER N N 115.678 0.300 1 416 47 47 LEU H H 7.316 0.030 1 417 47 47 LEU HA H 5.246 0.030 1 418 47 47 LEU HB2 H 1.120 0.030 2 419 47 47 LEU HB3 H 1.781 0.030 2 420 47 47 LEU HD1 H 0.676 0.030 1 421 47 47 LEU HD2 H 0.635 0.030 1 422 47 47 LEU HG H 1.756 0.030 1 423 47 47 LEU C C 177.185 0.300 1 424 47 47 LEU CA C 53.565 0.300 1 425 47 47 LEU CB C 44.474 0.300 1 426 47 47 LEU CD1 C 25.800 0.300 2 427 47 47 LEU CD2 C 23.111 0.300 2 428 47 47 LEU CG C 26.226 0.300 1 429 47 47 LEU N N 121.068 0.300 1 430 48 48 THR H H 8.982 0.030 1 431 48 48 THR HA H 4.527 0.030 1 432 48 48 THR HB H 4.032 0.030 1 433 48 48 THR HG2 H 1.121 0.030 1 434 48 48 THR C C 172.928 0.300 1 435 48 48 THR CA C 60.741 0.300 1 436 48 48 THR CB C 71.547 0.300 1 437 48 48 THR CG2 C 21.589 0.300 1 438 48 48 THR N N 113.828 0.300 1 439 49 49 ALA H H 8.784 0.030 1 440 49 49 ALA HA H 5.717 0.030 1 441 49 49 ALA HB H 1.198 0.030 1 442 49 49 ALA C C 175.953 0.300 1 443 49 49 ALA CA C 50.127 0.300 1 444 49 49 ALA CB C 23.464 0.300 1 445 49 49 ALA N N 125.501 0.300 1 446 50 50 SER H H 8.710 0.030 1 447 50 50 SER HA H 4.827 0.030 1 448 50 50 SER HB2 H 3.680 0.030 2 449 50 50 SER HB3 H 3.780 0.030 2 450 50 50 SER C C 171.965 0.300 1 451 50 50 SER CA C 57.232 0.300 1 452 50 50 SER CB C 65.640 0.300 1 453 50 50 SER N N 115.138 0.300 1 454 51 51 ILE H H 8.928 0.030 1 455 51 51 ILE HA H 4.766 0.030 1 456 51 51 ILE HB H 1.579 0.030 1 457 51 51 ILE HD1 H -0.139 0.030 1 458 51 51 ILE HG12 H 0.631 0.030 2 459 51 51 ILE HG13 H 1.407 0.030 2 460 51 51 ILE HG2 H 0.393 0.030 1 461 51 51 ILE C C 173.850 0.300 1 462 51 51 ILE CA C 60.042 0.300 1 463 51 51 ILE CB C 41.410 0.300 1 464 51 51 ILE CD1 C 14.003 0.300 1 465 51 51 ILE CG1 C 28.071 0.300 1 466 51 51 ILE CG2 C 16.985 0.300 1 467 51 51 ILE N N 121.011 0.300 1 468 52 52 LYS H H 8.642 0.030 1 469 52 52 LYS HA H 4.969 0.030 1 470 52 52 LYS HB2 H 1.689 0.030 1 471 52 52 LYS HB3 H 1.689 0.030 1 472 52 52 LYS HD2 H 1.589 0.030 2 473 52 52 LYS HD3 H 1.649 0.030 2 474 52 52 LYS HE2 H 2.955 0.030 1 475 52 52 LYS HE3 H 2.955 0.030 1 476 52 52 LYS HG2 H 1.293 0.030 2 477 52 52 LYS HG3 H 1.445 0.030 2 478 52 52 LYS C C 175.855 0.300 1 479 52 52 LYS CA C 54.270 0.300 1 480 52 52 LYS CB C 34.512 0.300 1 481 52 52 LYS CD C 29.167 0.300 1 482 52 52 LYS CE C 41.621 0.300 1 483 52 52 LYS CG C 23.886 0.300 1 484 52 52 LYS N N 128.239 0.300 1 485 53 53 ALA H H 8.798 0.030 1 486 53 53 ALA HA H 4.024 0.030 1 487 53 53 ALA HB H 1.361 0.030 1 488 53 53 ALA C C 176.488 0.300 1 489 53 53 ALA CA C 50.428 0.300 1 490 53 53 ALA CB C 18.409 0.300 1 491 53 53 ALA N N 130.354 0.300 1 492 54 54 PRO HA H 4.209 0.030 1 493 54 54 PRO HB2 H 1.974 0.030 2 494 54 54 PRO HB3 H 2.401 0.030 2 495 54 54 PRO HD2 H 3.148 0.030 2 496 54 54 PRO HD3 H 1.931 0.030 2 497 54 54 PRO HG2 H 2.095 0.030 2 498 54 54 PRO HG3 H 1.872 0.030 2 499 54 54 PRO C C 178.368 0.300 1 500 54 54 PRO CA C 65.951 0.300 1 501 54 54 PRO CB C 31.331 0.300 1 502 54 54 PRO CD C 49.216 0.300 1 503 54 54 PRO CG C 26.522 0.300 1 504 55 55 SER H H 8.899 0.030 1 505 55 55 SER HA H 4.121 0.030 1 506 55 55 SER HB2 H 3.899 0.030 2 507 55 55 SER HB3 H 4.091 0.030 2 508 55 55 SER C C 176.106 0.300 1 509 55 55 SER CA C 59.729 0.300 1 510 55 55 SER CB C 62.651 0.300 1 511 55 55 SER N N 110.810 0.300 1 512 56 56 GLY H H 8.480 0.030 1 513 56 56 GLY HA2 H 3.440 0.030 2 514 56 56 GLY HA3 H 4.476 0.030 2 515 56 56 GLY C C 173.786 0.300 1 516 56 56 GLY CA C 44.595 0.300 1 517 56 56 GLY N N 111.304 0.300 1 518 57 57 ARG H H 7.336 0.030 1 519 57 57 ARG HA H 4.124 0.030 1 520 57 57 ARG HB2 H 1.609 0.030 2 521 57 57 ARG HB3 H 1.709 0.030 2 522 57 57 ARG HD2 H 3.210 0.030 1 523 57 57 ARG HD3 H 3.210 0.030 1 524 57 57 ARG HG2 H 1.621 0.030 1 525 57 57 ARG HG3 H 1.621 0.030 1 526 57 57 ARG C C 174.563 0.300 1 527 57 57 ARG CA C 56.944 0.300 1 528 57 57 ARG CB C 31.366 0.300 1 529 57 57 ARG CD C 43.451 0.300 1 530 57 57 ARG CG C 27.403 0.300 1 531 57 57 ARG N N 121.175 0.300 1 532 58 58 ASP H H 8.348 0.030 1 533 58 58 ASP HA H 5.370 0.030 1 534 58 58 ASP HB2 H 2.489 0.030 2 535 58 58 ASP HB3 H 2.603 0.030 2 536 58 58 ASP C C 176.247 0.300 1 537 58 58 ASP CA C 53.608 0.300 1 538 58 58 ASP CB C 42.706 0.300 1 539 58 58 ASP N N 123.749 0.300 1 540 59 59 GLU H H 8.398 0.030 1 541 59 59 GLU HA H 5.370 0.030 1 542 59 59 GLU HB2 H 1.594 0.030 2 543 59 59 GLU HB3 H 2.079 0.030 2 544 59 59 GLU HG2 H 2.353 0.030 1 545 59 59 GLU HG3 H 2.353 0.030 1 546 59 59 GLU C C 174.543 0.300 1 547 59 59 GLU CA C 52.390 0.300 1 548 59 59 GLU CB C 31.502 0.300 1 549 59 59 GLU CG C 34.550 0.300 1 550 59 59 GLU N N 123.101 0.300 1 551 60 60 PRO HA H 4.628 0.030 1 552 60 60 PRO HB2 H 1.992 0.030 2 553 60 60 PRO HB3 H 2.437 0.030 2 554 60 60 PRO HD2 H 3.873 0.030 2 555 60 60 PRO HD3 H 3.978 0.030 2 556 60 60 PRO HG2 H 2.200 0.030 2 557 60 60 PRO HG3 H 2.081 0.030 2 558 60 60 PRO C C 176.323 0.300 1 559 60 60 PRO CA C 63.042 0.300 1 560 60 60 PRO CB C 32.268 0.300 1 561 60 60 PRO CD C 50.853 0.300 1 562 60 60 PRO CG C 27.614 0.300 1 563 61 61 CYS H H 8.490 0.030 1 564 61 61 CYS HA H 5.416 0.030 1 565 61 61 CYS HB2 H 2.587 0.030 2 566 61 61 CYS HB3 H 2.890 0.030 2 567 61 61 CYS C C 172.683 0.300 1 568 61 61 CYS CA C 56.096 0.300 1 569 61 61 CYS CB C 32.245 0.300 1 570 61 61 CYS N N 116.313 0.300 1 571 62 62 LEU H H 8.485 0.030 1 572 62 62 LEU HA H 4.703 0.030 1 573 62 62 LEU HB2 H 1.585 0.030 2 574 62 62 LEU HB3 H 1.679 0.030 2 575 62 62 LEU HD1 H 0.926 0.030 1 576 62 62 LEU HD2 H 0.959 0.030 1 577 62 62 LEU HG H 1.581 0.030 1 578 62 62 LEU C C 175.702 0.300 1 579 62 62 LEU CA C 54.430 0.300 1 580 62 62 LEU CB C 45.261 0.300 1 581 62 62 LEU CD1 C 25.072 0.300 2 582 62 62 LEU CD2 C 24.664 0.300 2 583 62 62 LEU CG C 26.834 0.300 1 584 62 62 LEU N N 121.671 0.300 1 585 63 63 LEU H H 8.579 0.030 1 586 63 63 LEU HA H 5.030 0.030 1 587 63 63 LEU HB2 H 1.358 0.030 2 588 63 63 LEU HB3 H 1.705 0.030 2 589 63 63 LEU HD1 H 0.784 0.030 1 590 63 63 LEU HD2 H 0.720 0.030 1 591 63 63 LEU HG H 1.556 0.030 1 592 63 63 LEU C C 176.336 0.300 1 593 63 63 LEU CA C 54.162 0.300 1 594 63 63 LEU CB C 44.054 0.300 1 595 63 63 LEU CD1 C 26.522 0.300 2 596 63 63 LEU CD2 C 24.545 0.300 2 597 63 63 LEU CG C 27.032 0.300 1 598 63 63 LEU N N 124.553 0.300 1 599 64 64 LYS H H 8.894 0.030 1 600 64 64 LYS HA H 4.634 0.030 1 601 64 64 LYS HB2 H 1.535 0.030 2 602 64 64 LYS HB3 H 1.622 0.030 2 603 64 64 LYS HD2 H 1.532 0.030 1 604 64 64 LYS HD3 H 1.532 0.030 1 605 64 64 LYS HE2 H 2.775 0.030 1 606 64 64 LYS HE3 H 2.775 0.030 1 607 64 64 LYS HG2 H 1.100 0.030 2 608 64 64 LYS HG3 H 1.212 0.030 2 609 64 64 LYS C C 174.163 0.300 1 610 64 64 LYS CA C 54.585 0.300 1 611 64 64 LYS CB C 35.965 0.300 1 612 64 64 LYS CD C 29.570 0.300 1 613 64 64 LYS CE C 41.863 0.300 1 614 64 64 LYS CG C 23.535 0.300 1 615 64 64 LYS N N 120.066 0.300 1 616 65 65 ARG H H 8.610 0.030 1 617 65 65 ARG HA H 4.619 0.030 1 618 65 65 ARG HB2 H 1.724 0.030 2 619 65 65 ARG HB3 H 1.874 0.030 2 620 65 65 ARG HD2 H 3.244 0.030 2 621 65 65 ARG HD3 H 3.287 0.030 2 622 65 65 ARG HG2 H 1.714 0.030 1 623 65 65 ARG HG3 H 1.714 0.030 1 624 65 65 ARG C C 175.617 0.300 1 625 65 65 ARG CA C 55.539 0.300 1 626 65 65 ARG CB C 30.164 0.300 1 627 65 65 ARG CD C 42.848 0.300 1 628 65 65 ARG CG C 27.141 0.300 1 629 65 65 ARG N N 121.638 0.300 1 630 66 66 LEU H H 8.617 0.030 1 631 66 66 LEU HA H 4.691 0.030 1 632 66 66 LEU HB2 H 1.449 0.030 2 633 66 66 LEU HB3 H 1.658 0.030 2 634 66 66 LEU HD1 H 0.781 0.030 1 635 66 66 LEU HD2 H 0.794 0.030 1 636 66 66 LEU HG H 1.549 0.030 1 637 66 66 LEU C C 175.389 0.300 1 638 66 66 LEU CA C 53.058 0.300 1 639 66 66 LEU CB C 41.594 0.300 1 640 66 66 LEU CD1 C 25.578 0.300 2 641 66 66 LEU CD2 C 22.746 0.300 2 642 66 66 LEU CG C 27.686 0.300 1 643 66 66 LEU N N 128.159 0.300 1 644 67 67 PRO HA H 4.361 0.030 1 645 67 67 PRO HB2 H 1.812 0.030 2 646 67 67 PRO HB3 H 2.376 0.030 2 647 67 67 PRO HD2 H 3.779 0.030 2 648 67 67 PRO HD3 H 3.612 0.030 2 649 67 67 PRO HG2 H 2.091 0.030 2 650 67 67 PRO HG3 H 1.980 0.030 2 651 67 67 PRO CA C 64.224 0.300 1 652 67 67 PRO CB C 32.030 0.300 1 653 67 67 PRO CD C 50.872 0.300 1 654 67 67 PRO CG C 27.910 0.300 1 655 68 68 ASN HA H 4.370 0.030 1 656 68 68 ASN HB2 H 2.881 0.030 2 657 68 68 ASN HB3 H 2.983 0.030 2 658 68 68 ASN HD21 H 6.590 0.030 2 659 68 68 ASN HD22 H 7.570 0.030 2 660 68 68 ASN C C 174.656 0.300 1 661 68 68 ASN CA C 53.567 0.300 1 662 68 68 ASN CB C 36.848 0.300 1 663 68 68 ASN ND2 N 111.675 0.300 1 664 69 69 ASN H H 8.572 0.030 1 665 69 69 ASN HA H 4.350 0.030 1 666 69 69 ASN HB2 H 2.827 0.030 2 667 69 69 ASN HB3 H 3.044 0.030 2 668 69 69 ASN HD21 H 6.844 0.030 2 669 69 69 ASN HD22 H 7.543 0.030 2 670 69 69 ASN C C 174.586 0.300 1 671 69 69 ASN CA C 54.716 0.300 1 672 69 69 ASN CB C 37.317 0.300 1 673 69 69 ASN N N 111.366 0.300 1 674 69 69 ASN ND2 N 112.938 0.300 1 675 70 70 HIS H H 7.224 0.030 1 676 70 70 HIS HA H 4.913 0.030 1 677 70 70 HIS HB2 H 2.952 0.030 2 678 70 70 HIS HB3 H 3.212 0.030 2 679 70 70 HIS HD2 H 7.123 0.030 1 680 70 70 HIS HE1 H 8.120 0.030 1 681 70 70 HIS C C 174.043 0.300 1 682 70 70 HIS CA C 55.683 0.300 1 683 70 70 HIS CB C 31.852 0.300 1 684 70 70 HIS CD2 C 121.852 0.300 1 685 70 70 HIS CE1 C 137.774 0.300 1 686 70 70 HIS N N 116.767 0.300 1 687 71 71 ILE H H 9.241 0.030 1 688 71 71 ILE HA H 4.777 0.030 1 689 71 71 ILE HB H 1.791 0.030 1 690 71 71 ILE HD1 H 0.774 0.030 1 691 71 71 ILE HG12 H 1.613 0.030 2 692 71 71 ILE HG13 H 1.133 0.030 2 693 71 71 ILE HG2 H 0.900 0.030 1 694 71 71 ILE C C 174.445 0.300 1 695 71 71 ILE CA C 60.429 0.300 1 696 71 71 ILE CB C 39.870 0.300 1 697 71 71 ILE CD1 C 13.112 0.300 1 698 71 71 ILE CG1 C 28.042 0.300 1 699 71 71 ILE CG2 C 18.603 0.300 1 700 71 71 ILE N N 121.977 0.300 1 701 72 72 GLY H H 9.070 0.030 1 702 72 72 GLY HA2 H 3.618 0.030 2 703 72 72 GLY HA3 H 5.120 0.030 2 704 72 72 GLY C C 171.279 0.300 1 705 72 72 GLY CA C 44.404 0.300 1 706 72 72 GLY N N 112.386 0.300 1 707 73 73 ILE H H 8.943 0.030 1 708 73 73 ILE HA H 5.372 0.030 1 709 73 73 ILE HB H 1.594 0.030 1 710 73 73 ILE HD1 H 0.737 0.030 1 711 73 73 ILE HG12 H 1.036 0.030 2 712 73 73 ILE HG13 H 1.550 0.030 2 713 73 73 ILE HG2 H 0.935 0.030 1 714 73 73 ILE C C 173.459 0.300 1 715 73 73 ILE CA C 57.991 0.300 1 716 73 73 ILE CB C 43.071 0.300 1 717 73 73 ILE CD1 C 15.807 0.300 1 718 73 73 ILE CG1 C 28.776 0.300 1 719 73 73 ILE CG2 C 17.750 0.300 1 720 73 73 ILE N N 116.246 0.300 1 721 74 74 SER H H 8.808 0.030 1 722 74 74 SER HA H 5.977 0.030 1 723 74 74 SER HB2 H 3.703 0.030 1 724 74 74 SER HB3 H 3.703 0.030 1 725 74 74 SER C C 174.435 0.300 1 726 74 74 SER CA C 56.333 0.300 1 727 74 74 SER CB C 65.524 0.300 1 728 74 74 SER N N 119.347 0.300 1 729 75 75 PHE H H 8.804 0.030 1 730 75 75 PHE HA H 4.909 0.030 1 731 75 75 PHE HB2 H 3.294 0.030 2 732 75 75 PHE HB3 H 3.220 0.030 2 733 75 75 PHE HD1 H 6.892 0.030 1 734 75 75 PHE HD2 H 6.892 0.030 1 735 75 75 PHE HE1 H 6.757 0.030 1 736 75 75 PHE HE2 H 6.757 0.030 1 737 75 75 PHE HZ H 6.189 0.030 1 738 75 75 PHE C C 171.846 0.300 1 739 75 75 PHE CA C 55.594 0.300 1 740 75 75 PHE CB C 40.772 0.300 1 741 75 75 PHE CD1 C 132.487 0.300 1 742 75 75 PHE CD2 C 132.487 0.300 1 743 75 75 PHE CE1 C 130.512 0.300 1 744 75 75 PHE CE2 C 130.512 0.300 1 745 75 75 PHE CZ C 128.156 0.300 1 746 75 75 PHE N N 123.344 0.300 1 747 76 76 ILE H H 9.062 0.030 1 748 76 76 ILE HA H 4.457 0.030 1 749 76 76 ILE HB H 1.697 0.030 1 750 76 76 ILE HD1 H 0.834 0.030 1 751 76 76 ILE HG12 H 0.670 0.030 2 752 76 76 ILE HG13 H 1.556 0.030 2 753 76 76 ILE HG2 H 0.538 0.030 1 754 76 76 ILE C C 173.218 0.300 1 755 76 76 ILE CA C 57.933 0.300 1 756 76 76 ILE CB C 38.839 0.300 1 757 76 76 ILE CD1 C 13.549 0.300 1 758 76 76 ILE CG1 C 27.309 0.300 1 759 76 76 ILE CG2 C 16.942 0.300 1 760 76 76 ILE N N 121.506 0.300 1 761 77 77 PRO HA H 4.459 0.030 1 762 77 77 PRO HB2 H 1.852 0.030 2 763 77 77 PRO HB3 H 1.727 0.030 2 764 77 77 PRO HD2 H 3.288 0.030 2 765 77 77 PRO HD3 H 3.978 0.030 2 766 77 77 PRO HG2 H 1.180 0.030 2 767 77 77 PRO HG3 H 1.839 0.030 2 768 77 77 PRO C C 176.693 0.300 1 769 77 77 PRO CA C 62.275 0.300 1 770 77 77 PRO CB C 32.649 0.300 1 771 77 77 PRO CD C 50.795 0.300 1 772 77 77 PRO CG C 27.223 0.300 1 773 78 78 ARG H H 10.278 0.030 1 774 78 78 ARG HA H 4.525 0.030 1 775 78 78 ARG HB2 H 1.942 0.030 2 776 78 78 ARG HB3 H 1.986 0.030 2 777 78 78 ARG HD2 H 3.203 0.030 2 778 78 78 ARG HD3 H 3.266 0.030 2 779 78 78 ARG HG2 H 1.677 0.030 2 780 78 78 ARG HG3 H 1.839 0.030 2 781 78 78 ARG C C 175.470 0.300 1 782 78 78 ARG CA C 55.565 0.300 1 783 78 78 ARG CB C 33.192 0.300 1 784 78 78 ARG CD C 43.673 0.300 1 785 78 78 ARG CG C 27.281 0.300 1 786 78 78 ARG N N 122.000 0.300 1 787 79 79 GLU H H 8.182 0.030 1 788 79 79 GLU HA H 4.651 0.030 1 789 79 79 GLU HB2 H 1.927 0.030 2 790 79 79 GLU HB3 H 2.144 0.030 2 791 79 79 GLU HG2 H 2.346 0.030 2 792 79 79 GLU HG3 H 2.208 0.030 2 793 79 79 GLU C C 174.090 0.300 1 794 79 79 GLU CA C 54.185 0.300 1 795 79 79 GLU CB C 33.592 0.300 1 796 79 79 GLU CG C 35.640 0.300 1 797 79 79 GLU N N 120.618 0.300 1 798 80 80 VAL H H 8.025 0.030 1 799 80 80 VAL HA H 4.164 0.030 1 800 80 80 VAL HB H 2.238 0.030 1 801 80 80 VAL HG1 H 1.027 0.030 1 802 80 80 VAL HG2 H 0.964 0.030 1 803 80 80 VAL C C 176.202 0.300 1 804 80 80 VAL CA C 61.463 0.300 1 805 80 80 VAL CB C 32.984 0.300 1 806 80 80 VAL CG1 C 22.502 0.300 2 807 80 80 VAL CG2 C 20.109 0.300 2 808 80 80 VAL N N 113.583 0.300 1 809 81 81 GLY H H 9.023 0.030 1 810 81 81 GLY HA2 H 3.860 0.030 2 811 81 81 GLY HA3 H 4.775 0.030 2 812 81 81 GLY C C 175.996 0.300 1 813 81 81 GLY CA C 43.837 0.300 1 814 81 81 GLY N N 108.996 0.300 1 815 82 82 GLU H H 9.150 0.030 1 816 82 82 GLU HA H 4.579 0.030 1 817 82 82 GLU HB2 H 1.832 0.030 2 818 82 82 GLU HB3 H 2.063 0.030 2 819 82 82 GLU HG2 H 2.113 0.030 2 820 82 82 GLU HG3 H 1.912 0.030 2 821 82 82 GLU C C 175.500 0.300 1 822 82 82 GLU CA C 58.057 0.300 1 823 82 82 GLU CB C 30.213 0.300 1 824 82 82 GLU CG C 36.538 0.300 1 825 82 82 GLU N N 124.577 0.300 1 826 83 83 HIS H H 9.820 0.030 1 827 83 83 HIS HA H 4.851 0.030 1 828 83 83 HIS HB2 H 2.901 0.030 2 829 83 83 HIS HB3 H 2.540 0.030 2 830 83 83 HIS HD2 H 6.477 0.030 1 831 83 83 HIS HE1 H 8.000 0.030 1 832 83 83 HIS C C 173.607 0.300 1 833 83 83 HIS CA C 55.089 0.300 1 834 83 83 HIS CB C 30.215 0.300 1 835 83 83 HIS CD2 C 127.440 0.300 1 836 83 83 HIS CE1 C 140.565 0.300 1 837 83 83 HIS N N 128.226 0.300 1 838 84 84 LEU H H 8.362 0.030 1 839 84 84 LEU HA H 5.060 0.030 1 840 84 84 LEU HB2 H 1.281 0.030 2 841 84 84 LEU HB3 H 1.601 0.030 2 842 84 84 LEU HD1 H 0.780 0.030 1 843 84 84 LEU HD2 H 0.727 0.030 1 844 84 84 LEU HG H 1.462 0.030 1 845 84 84 LEU C C 176.819 0.300 1 846 84 84 LEU CA C 53.342 0.300 1 847 84 84 LEU CB C 44.345 0.300 1 848 84 84 LEU CD1 C 24.835 0.300 2 849 84 84 LEU CD2 C 23.894 0.300 2 850 84 84 LEU CG C 27.141 0.300 1 851 84 84 LEU N N 121.988 0.300 1 852 85 85 VAL H H 9.902 0.030 1 853 85 85 VAL HA H 4.694 0.030 1 854 85 85 VAL HB H 2.195 0.030 1 855 85 85 VAL HG1 H 0.763 0.030 1 856 85 85 VAL HG2 H 0.666 0.030 1 857 85 85 VAL C C 175.650 0.300 1 858 85 85 VAL CA C 60.935 0.300 1 859 85 85 VAL CB C 32.430 0.300 1 860 85 85 VAL CG1 C 21.263 0.300 2 861 85 85 VAL CG2 C 20.500 0.300 2 862 85 85 VAL N N 130.371 0.300 1 863 86 86 SER H H 9.222 0.030 1 864 86 86 SER HA H 4.969 0.030 1 865 86 86 SER HB2 H 3.850 0.030 2 866 86 86 SER HB3 H 3.360 0.030 2 867 86 86 SER C C 173.011 0.300 1 868 86 86 SER CA C 58.299 0.300 1 869 86 86 SER CB C 64.252 0.300 1 870 86 86 SER N N 123.574 0.300 1 871 87 87 ILE H H 9.824 0.030 1 872 87 87 ILE HA H 4.796 0.030 1 873 87 87 ILE HB H 1.860 0.030 1 874 87 87 ILE HD1 H 0.837 0.030 1 875 87 87 ILE HG12 H 1.354 0.030 2 876 87 87 ILE HG13 H 1.187 0.030 2 877 87 87 ILE HG2 H 0.813 0.030 1 878 87 87 ILE C C 174.094 0.300 1 879 87 87 ILE CA C 60.034 0.300 1 880 87 87 ILE CB C 38.776 0.300 1 881 87 87 ILE CD1 C 14.996 0.300 1 882 87 87 ILE CG1 C 27.580 0.300 1 883 87 87 ILE CG2 C 20.551 0.300 1 884 87 87 ILE N N 128.067 0.300 1 885 88 88 LYS H H 8.594 0.030 1 886 88 88 LYS HA H 5.028 0.030 1 887 88 88 LYS HB2 H 0.952 0.030 2 888 88 88 LYS HB3 H 1.409 0.030 2 889 88 88 LYS HD2 H 1.156 0.030 2 890 88 88 LYS HD3 H 0.898 0.030 2 891 88 88 LYS HE2 H 1.856 0.030 2 892 88 88 LYS HE3 H 2.176 0.030 2 893 88 88 LYS HG2 H 0.241 0.030 2 894 88 88 LYS HG3 H 0.817 0.030 2 895 88 88 LYS C C 174.319 0.300 1 896 88 88 LYS CA C 54.228 0.300 1 897 88 88 LYS CB C 37.462 0.300 1 898 88 88 LYS CD C 29.327 0.300 1 899 88 88 LYS CE C 41.415 0.300 1 900 88 88 LYS CG C 25.221 0.300 1 901 88 88 LYS N N 123.516 0.300 1 902 89 89 LYS H H 8.752 0.030 1 903 89 89 LYS HA H 4.698 0.030 1 904 89 89 LYS HB2 H 1.743 0.030 2 905 89 89 LYS HB3 H 1.340 0.030 2 906 89 89 LYS HD2 H 1.594 0.030 1 907 89 89 LYS HD3 H 1.594 0.030 1 908 89 89 LYS HE2 H 2.910 0.030 1 909 89 89 LYS HE3 H 2.910 0.030 1 910 89 89 LYS HG2 H 1.185 0.030 2 911 89 89 LYS HG3 H 1.362 0.030 2 912 89 89 LYS C C 176.877 0.300 1 913 89 89 LYS CA C 55.194 0.300 1 914 89 89 LYS CB C 35.878 0.300 1 915 89 89 LYS CD C 29.765 0.300 1 916 89 89 LYS CE C 42.004 0.300 1 917 89 89 LYS CG C 24.897 0.300 1 918 89 89 LYS N N 120.517 0.300 1 919 90 90 ASN HA H 4.334 0.030 1 920 90 90 ASN HB2 H 2.798 0.030 2 921 90 90 ASN HB3 H 3.068 0.030 2 922 90 90 ASN HD21 H 6.997 0.030 2 923 90 90 ASN HD22 H 7.713 0.030 2 924 90 90 ASN C C 174.903 0.300 1 925 90 90 ASN CA C 54.566 0.300 1 926 90 90 ASN CB C 37.643 0.300 1 927 90 90 ASN ND2 N 113.093 0.300 1 928 91 91 GLY H H 8.580 0.030 1 929 91 91 GLY HA2 H 3.413 0.030 2 930 91 91 GLY HA3 H 4.157 0.030 2 931 91 91 GLY C C 173.230 0.300 1 932 91 91 GLY CA C 45.344 0.300 1 933 91 91 GLY N N 101.551 0.300 1 934 92 92 ASN H H 7.650 0.030 1 935 92 92 ASN HA H 5.146 0.030 1 936 92 92 ASN HB2 H 2.708 0.030 2 937 92 92 ASN HB3 H 2.805 0.030 2 938 92 92 ASN HD21 H 7.021 0.030 2 939 92 92 ASN HD22 H 7.558 0.030 2 940 92 92 ASN C C 174.929 0.300 1 941 92 92 ASN CA C 51.338 0.300 1 942 92 92 ASN CB C 41.341 0.300 1 943 92 92 ASN N N 118.245 0.300 1 944 92 92 ASN ND2 N 114.702 0.300 1 945 93 93 HIS H H 8.833 0.030 1 946 93 93 HIS HA H 4.521 0.030 1 947 93 93 HIS HB2 H 2.931 0.030 2 948 93 93 HIS HB3 H 3.267 0.030 2 949 93 93 HIS HD2 H 7.217 0.030 1 950 93 93 HIS HE1 H 7.711 0.030 1 951 93 93 HIS C C 177.970 0.300 1 952 93 93 HIS CA C 59.093 0.300 1 953 93 93 HIS CB C 32.450 0.300 1 954 93 93 HIS CD2 C 118.269 0.300 1 955 93 93 HIS CE1 C 137.477 0.300 1 956 93 93 HIS N N 122.828 0.300 1 957 94 94 VAL H H 8.272 0.030 1 958 94 94 VAL HA H 4.485 0.030 1 959 94 94 VAL HB H 2.559 0.030 1 960 94 94 VAL HG1 H 0.924 0.030 1 961 94 94 VAL HG2 H 0.924 0.030 1 962 94 94 VAL C C 175.724 0.300 1 963 94 94 VAL CA C 60.306 0.300 1 964 94 94 VAL CB C 32.334 0.300 1 965 94 94 VAL CG1 C 22.733 0.300 2 966 94 94 VAL CG2 C 18.391 0.300 2 967 94 94 VAL N N 116.803 0.300 1 968 95 95 ALA H H 8.534 0.030 1 969 95 95 ALA HA H 4.113 0.030 1 970 95 95 ALA HB H 1.397 0.030 1 971 95 95 ALA C C 178.349 0.300 1 972 95 95 ALA CA C 54.421 0.300 1 973 95 95 ALA CB C 17.821 0.300 1 974 95 95 ALA N N 123.113 0.300 1 975 96 96 ASN H H 8.475 0.030 1 976 96 96 ASN HA H 4.312 0.030 1 977 96 96 ASN HB2 H 2.999 0.030 2 978 96 96 ASN HB3 H 3.245 0.030 2 979 96 96 ASN HD21 H 6.859 0.030 2 980 96 96 ASN HD22 H 7.568 0.030 2 981 96 96 ASN C C 173.215 0.300 1 982 96 96 ASN CA C 54.672 0.300 1 983 96 96 ASN CB C 37.214 0.300 1 984 96 96 ASN N N 112.777 0.300 1 985 96 96 ASN ND2 N 112.503 0.300 1 986 97 97 SER H H 7.760 0.030 1 987 97 97 SER HA H 4.477 0.030 1 988 97 97 SER HB2 H 3.724 0.030 2 989 97 97 SER HB3 H 4.481 0.030 2 990 97 97 SER C C 173.968 0.300 1 991 97 97 SER CA C 54.708 0.300 1 992 97 97 SER CB C 63.376 0.300 1 993 97 97 SER N N 111.599 0.300 1 994 98 98 PRO HA H 5.699 0.030 1 995 98 98 PRO HB2 H 2.158 0.030 2 996 98 98 PRO HB3 H 1.698 0.030 2 997 98 98 PRO HD2 H 3.341 0.030 2 998 98 98 PRO HD3 H 2.444 0.030 2 999 98 98 PRO HG2 H 1.788 0.030 1 1000 98 98 PRO HG3 H 1.788 0.030 1 1001 98 98 PRO C C 176.382 0.300 1 1002 98 98 PRO CA C 62.696 0.300 1 1003 98 98 PRO CB C 34.671 0.300 1 1004 98 98 PRO CD C 49.984 0.300 1 1005 98 98 PRO CG C 24.420 0.300 1 1006 99 99 VAL H H 9.274 0.030 1 1007 99 99 VAL HA H 4.356 0.030 1 1008 99 99 VAL HB H 1.971 0.030 1 1009 99 99 VAL HG1 H 0.946 0.030 1 1010 99 99 VAL HG2 H 0.993 0.030 1 1011 99 99 VAL C C 175.283 0.300 1 1012 99 99 VAL CA C 60.830 0.300 1 1013 99 99 VAL CB C 34.844 0.300 1 1014 99 99 VAL CG1 C 21.395 0.300 2 1015 99 99 VAL CG2 C 21.292 0.300 2 1016 99 99 VAL N N 121.689 0.300 1 1017 100 100 SER H H 8.705 0.030 1 1018 100 100 SER HA H 5.183 0.030 1 1019 100 100 SER HB2 H 3.721 0.030 1 1020 100 100 SER HB3 H 3.721 0.030 1 1021 100 100 SER C C 174.298 0.300 1 1022 100 100 SER CA C 58.028 0.300 1 1023 100 100 SER CB C 63.598 0.300 1 1024 100 100 SER N N 122.358 0.300 1 1025 101 101 ILE H H 8.995 0.030 1 1026 101 101 ILE HA H 4.394 0.030 1 1027 101 101 ILE HB H 1.421 0.030 1 1028 101 101 ILE HD1 H 0.212 0.030 1 1029 101 101 ILE HG12 H 1.169 0.030 2 1030 101 101 ILE HG13 H 0.741 0.030 2 1031 101 101 ILE HG2 H 0.478 0.030 1 1032 101 101 ILE C C 174.623 0.300 1 1033 101 101 ILE CA C 59.848 0.300 1 1034 101 101 ILE CB C 41.182 0.300 1 1035 101 101 ILE CD1 C 13.095 0.300 1 1036 101 101 ILE CG1 C 26.894 0.300 1 1037 101 101 ILE CG2 C 17.162 0.300 1 1038 101 101 ILE N N 124.548 0.300 1 1039 102 102 MET H H 8.828 0.030 1 1040 102 102 MET HA H 4.909 0.030 1 1041 102 102 MET HB2 H 2.028 0.030 2 1042 102 102 MET HB3 H 2.081 0.030 2 1043 102 102 MET HE H 2.073 0.030 1 1044 102 102 MET HG2 H 2.335 0.030 2 1045 102 102 MET HG3 H 2.677 0.030 2 1046 102 102 MET C C 174.539 0.300 1 1047 102 102 MET CA C 53.492 0.300 1 1048 102 102 MET CB C 31.743 0.300 1 1049 102 102 MET CE C 16.598 0.300 1 1050 102 102 MET CG C 32.174 0.300 1 1051 102 102 MET N N 126.650 0.300 1 1052 103 103 VAL H H 8.109 0.030 1 1053 103 103 VAL HA H 4.615 0.030 1 1054 103 103 VAL HB H 2.512 0.030 1 1055 103 103 VAL HG1 H 0.856 0.030 1 1056 103 103 VAL HG2 H 0.546 0.030 1 1057 103 103 VAL C C 176.234 0.300 1 1058 103 103 VAL CA C 62.177 0.300 1 1059 103 103 VAL CB C 32.169 0.300 1 1060 103 103 VAL CG1 C 22.083 0.300 2 1061 103 103 VAL CG2 C 21.722 0.300 2 1062 103 103 VAL N N 128.231 0.300 1 1063 104 104 VAL H H 8.736 0.030 1 1064 104 104 VAL HA H 4.585 0.030 1 1065 104 104 VAL HB H 2.162 0.030 1 1066 104 104 VAL HG1 H 0.912 0.030 1 1067 104 104 VAL HG2 H 0.815 0.030 1 1068 104 104 VAL C C 174.804 0.300 1 1069 104 104 VAL CA C 59.812 0.300 1 1070 104 104 VAL CB C 34.811 0.300 1 1071 104 104 VAL CG1 C 21.517 0.300 2 1072 104 104 VAL CG2 C 19.506 0.300 2 1073 104 104 VAL N N 124.397 0.300 1 1074 105 105 GLN H H 8.603 0.030 1 1075 105 105 GLN HA H 4.444 0.030 1 1076 105 105 GLN HB2 H 2.036 0.030 1 1077 105 105 GLN HB3 H 2.036 0.030 1 1078 105 105 GLN HE21 H 7.629 0.030 2 1079 105 105 GLN HE22 H 6.902 0.030 2 1080 105 105 GLN HG2 H 2.371 0.030 1 1081 105 105 GLN HG3 H 2.371 0.030 1 1082 105 105 GLN C C 175.873 0.300 1 1083 105 105 GLN CA C 56.148 0.300 1 1084 105 105 GLN CB C 29.930 0.300 1 1085 105 105 GLN CG C 33.929 0.300 1 1086 105 105 GLN N N 122.070 0.300 1 1087 105 105 GLN NE2 N 112.044 0.300 1 1088 106 106 SER H H 8.424 0.030 1 1089 106 106 SER HA H 4.389 0.030 1 1090 106 106 SER HB2 H 3.785 0.030 2 1091 106 106 SER HB3 H 4.368 0.030 2 1092 106 106 SER C C 174.378 0.300 1 1093 106 106 SER CA C 58.466 0.300 1 1094 106 106 SER CB C 63.923 0.300 1 1095 106 106 SER N N 117.885 0.300 1 1096 107 107 GLU H H 8.581 0.030 1 1097 107 107 GLU HA H 4.351 0.030 1 1098 107 107 GLU HB2 H 1.928 0.030 2 1099 107 107 GLU HB3 H 2.063 0.030 2 1100 107 107 GLU HG2 H 2.248 0.030 1 1101 107 107 GLU HG3 H 2.248 0.030 1 1102 107 107 GLU C C 176.441 0.300 1 1103 107 107 GLU CA C 56.422 0.300 1 1104 107 107 GLU CB C 30.257 0.300 1 1105 107 107 GLU CG C 36.284 0.300 1 1106 107 107 GLU N N 122.921 0.300 1 1107 108 108 ILE H H 8.193 0.030 1 1108 108 108 ILE HA H 4.132 0.030 1 1109 108 108 ILE HB H 1.859 0.030 1 1110 108 108 ILE HD1 H 0.832 0.030 1 1111 108 108 ILE HG12 H 1.457 0.030 2 1112 108 108 ILE HG13 H 1.165 0.030 2 1113 108 108 ILE HG2 H 0.902 0.030 1 1114 108 108 ILE C C 176.775 0.300 1 1115 108 108 ILE CA C 61.450 0.300 1 1116 108 108 ILE CB C 38.501 0.300 1 1117 108 108 ILE CD1 C 12.973 0.300 1 1118 108 108 ILE CG1 C 27.306 0.300 1 1119 108 108 ILE CG2 C 17.503 0.300 1 1120 108 108 ILE N N 121.484 0.300 1 1121 109 109 GLY H H 8.430 0.030 1 1122 109 109 GLY HA2 H 3.946 0.030 1 1123 109 109 GLY HA3 H 3.946 0.030 1 1124 109 109 GLY C C 173.828 0.300 1 1125 109 109 GLY CA C 45.170 0.300 1 1126 109 109 GLY N N 112.741 0.300 1 1127 110 110 ASP H H 8.245 0.030 1 1128 110 110 ASP HA H 4.637 0.030 1 1129 110 110 ASP HB2 H 2.652 0.030 2 1130 110 110 ASP HB3 H 2.711 0.030 2 1131 110 110 ASP C C 176.460 0.300 1 1132 110 110 ASP CA C 54.345 0.300 1 1133 110 110 ASP CB C 41.497 0.300 1 1134 110 110 ASP N N 120.851 0.300 1 1135 111 111 SER H H 8.365 0.030 1 1136 111 111 SER HA H 4.469 0.030 1 1137 111 111 SER HB2 H 3.877 0.030 1 1138 111 111 SER HB3 H 3.877 0.030 1 1139 111 111 SER C C 174.727 0.300 1 1140 111 111 SER CA C 58.446 0.300 1 1141 111 111 SER CB C 63.799 0.300 1 1142 111 111 SER N N 116.340 0.300 1 1143 112 112 GLY H H 8.310 0.030 1 1144 112 112 GLY HA2 H 4.113 0.030 1 1145 112 112 GLY HA3 H 4.113 0.030 1 1146 112 112 GLY C C 171.880 0.300 1 1147 112 112 GLY CA C 44.743 0.300 1 1148 112 112 GLY N N 110.743 0.300 1 1149 113 113 PRO HA H 4.482 0.030 1 1150 113 113 PRO HB2 H 1.974 0.030 2 1151 113 113 PRO HB3 H 2.296 0.030 2 1152 113 113 PRO HD2 H 3.632 0.030 1 1153 113 113 PRO HD3 H 3.632 0.030 1 1154 113 113 PRO HG2 H 2.020 0.030 1 1155 113 113 PRO HG3 H 2.020 0.030 1 1156 113 113 PRO C C 177.405 0.300 1 1157 113 113 PRO CA C 63.252 0.300 1 1158 113 113 PRO CB C 32.122 0.300 1 1159 113 113 PRO CD C 49.820 0.300 1 1160 113 113 PRO CG C 27.187 0.300 1 1161 114 114 SER H H 8.528 0.030 1 1162 114 114 SER C C 174.701 0.300 1 1163 114 114 SER CA C 58.358 0.300 1 1164 114 114 SER CB C 63.964 0.300 1 1165 114 114 SER N N 116.482 0.300 1 1166 115 115 SER HA H 4.472 0.030 1 1167 115 115 SER HB2 H 3.868 0.030 1 1168 115 115 SER HB3 H 3.868 0.030 1 1169 115 115 SER C C 173.958 0.300 1 1170 115 115 SER CA C 58.378 0.300 1 1171 115 115 SER CB C 64.060 0.300 1 1172 116 116 GLY H H 8.053 0.030 1 1173 116 116 GLY HA2 H 3.799 0.030 2 1174 116 116 GLY HA3 H 3.756 0.030 2 1175 116 116 GLY C C 179.011 0.300 1 1176 116 116 GLY CA C 46.242 0.300 1 1177 116 116 GLY N N 116.892 0.300 1 stop_ save_