data_10242 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structures of the PDZ domain of human Interleukin-16 ; _BMRB_accession_number 10242 _BMRB_flat_file_name bmr10242.str _Entry_type new _Submission_date 2008-10-24 _Accession_date 2008-10-28 _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 Sato M. . . 2 Koshiba S. . . 3 Inoue M. . . 4 Kigawa T. . . 5 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 601 "13C chemical shifts" 456 "15N chemical shifts" 111 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-11-03 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structures of the PDZ domain of human Interleukin-16' _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 Sato M. . . 2 Koshiba S. . . 3 Inoue M. . . 4 Kigawa T. . . 5 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Interleukin-16 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PDZ 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 'PDZ domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 119 _Mol_residue_sequence ; GSSGSSGATLKQLDGIHVTI LHKEEGAGLGFSLAGGADLE NKVITVHRVFPNGLASQEGT IQKGNEVLSINGKSLKGTTH HDALAILRQAREPRQAVIVT RKLTPEAMPDLNSSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ALA 9 THR 10 LEU 11 LYS 12 GLN 13 LEU 14 ASP 15 GLY 16 ILE 17 HIS 18 VAL 19 THR 20 ILE 21 LEU 22 HIS 23 LYS 24 GLU 25 GLU 26 GLY 27 ALA 28 GLY 29 LEU 30 GLY 31 PHE 32 SER 33 LEU 34 ALA 35 GLY 36 GLY 37 ALA 38 ASP 39 LEU 40 GLU 41 ASN 42 LYS 43 VAL 44 ILE 45 THR 46 VAL 47 HIS 48 ARG 49 VAL 50 PHE 51 PRO 52 ASN 53 GLY 54 LEU 55 ALA 56 SER 57 GLN 58 GLU 59 GLY 60 THR 61 ILE 62 GLN 63 LYS 64 GLY 65 ASN 66 GLU 67 VAL 68 LEU 69 SER 70 ILE 71 ASN 72 GLY 73 LYS 74 SER 75 LEU 76 LYS 77 GLY 78 THR 79 THR 80 HIS 81 HIS 82 ASP 83 ALA 84 LEU 85 ALA 86 ILE 87 LEU 88 ARG 89 GLN 90 ALA 91 ARG 92 GLU 93 PRO 94 ARG 95 GLN 96 ALA 97 VAL 98 ILE 99 VAL 100 THR 101 ARG 102 LYS 103 LEU 104 THR 105 PRO 106 GLU 107 ALA 108 MET 109 PRO 110 ASP 111 LEU 112 ASN 113 SER 114 SER 115 GLY 116 PRO 117 SER 118 SER 119 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 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 1X6D "Solution Structures Of The Pdz Domain Of Human Interleukin- 16" 100.00 119 100.00 100.00 1.11e-77 DBJ BAG54724 "unnamed protein product [Homo sapiens]" 89.92 658 100.00 100.00 2.93e-65 GB AAH50362 "IL16 protein, partial [Homo sapiens]" 89.92 576 100.00 100.00 7.31e-66 GB ACI00236 "interleukin 16 [Homo sapiens]" 89.92 560 100.00 100.00 6.35e-66 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 P040614-09 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 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 20031121 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 0.9295 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 1.0.7 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 700 _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 'PDZ 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 3.960 0.030 1 2 7 7 GLY HA3 H 3.960 0.030 1 3 7 7 GLY C C 174.009 0.300 1 4 7 7 GLY CA C 45.374 0.300 1 5 8 8 ALA H H 8.163 0.030 1 6 8 8 ALA HA H 4.381 0.030 1 7 8 8 ALA HB H 1.373 0.030 1 8 8 8 ALA C C 178.078 0.300 1 9 8 8 ALA CA C 52.677 0.300 1 10 8 8 ALA CB C 19.368 0.300 1 11 8 8 ALA N N 123.721 0.300 1 12 9 9 THR H H 8.142 0.030 1 13 9 9 THR HA H 4.353 0.030 1 14 9 9 THR HB H 4.177 0.030 1 15 9 9 THR HG2 H 1.193 0.030 1 16 9 9 THR C C 174.597 0.300 1 17 9 9 THR CA C 62.093 0.300 1 18 9 9 THR CB C 69.948 0.300 1 19 9 9 THR CG2 C 21.615 0.300 1 20 9 9 THR N N 113.761 0.300 1 21 10 10 LEU H H 8.218 0.030 1 22 10 10 LEU HA H 4.169 0.030 1 23 10 10 LEU HB2 H 1.835 0.030 1 24 10 10 LEU HB3 H 1.835 0.030 1 25 10 10 LEU HD1 H 0.856 0.030 1 26 10 10 LEU HD2 H 0.862 0.030 1 27 10 10 LEU HG H 1.378 0.030 1 28 10 10 LEU C C 176.110 0.300 1 29 10 10 LEU CA C 61.099 0.300 1 30 10 10 LEU CB C 38.686 0.300 1 31 10 10 LEU CD1 C 27.537 0.300 2 32 10 10 LEU CD2 C 27.537 0.300 2 33 10 10 LEU CG C 27.382 0.300 1 34 10 10 LEU N N 123.516 0.300 1 35 11 11 LYS H H 8.496 0.030 1 36 11 11 LYS HA H 4.891 0.030 1 37 11 11 LYS HB2 H 2.073 0.030 2 38 11 11 LYS HB3 H 1.968 0.030 2 39 11 11 LYS HE2 H 3.111 0.030 1 40 11 11 LYS HE3 H 3.111 0.030 1 41 11 11 LYS C C 175.794 0.300 1 42 11 11 LYS CA C 55.652 0.300 1 43 11 11 LYS CB C 29.444 0.300 1 44 11 11 LYS N N 125.141 0.300 1 45 12 12 GLN HA H 4.315 0.030 1 46 12 12 GLN C C 176.300 0.300 1 47 12 12 GLN CA C 56.286 0.300 1 48 12 12 GLN CB C 32.901 0.300 1 49 13 13 LEU H H 8.410 0.030 1 50 13 13 LEU HA H 4.348 0.030 1 51 13 13 LEU HB2 H 1.648 0.030 2 52 13 13 LEU HB3 H 1.582 0.030 2 53 13 13 LEU HD1 H 0.867 0.030 1 54 13 13 LEU HD2 H 0.862 0.030 1 55 13 13 LEU C C 177.120 0.300 1 56 13 13 LEU CA C 55.142 0.300 1 57 13 13 LEU CB C 42.352 0.300 1 58 13 13 LEU CD1 C 25.157 0.300 2 59 13 13 LEU CD2 C 23.263 0.300 2 60 13 13 LEU CG C 26.887 0.300 1 61 13 13 LEU N N 124.340 0.300 1 62 14 14 ASP H H 8.250 0.030 1 63 14 14 ASP HA H 4.540 0.030 1 64 14 14 ASP HB2 H 2.680 0.030 1 65 14 14 ASP HB3 H 2.680 0.030 1 66 14 14 ASP C C 176.769 0.300 1 67 14 14 ASP CA C 54.772 0.300 1 68 14 14 ASP CB C 41.322 0.300 1 69 14 14 ASP N N 120.493 0.300 1 70 15 15 GLY H H 8.428 0.030 1 71 15 15 GLY HA2 H 4.089 0.030 2 72 15 15 GLY HA3 H 3.874 0.030 2 73 15 15 GLY C C 174.122 0.300 1 74 15 15 GLY CA C 45.972 0.300 1 75 15 15 GLY N N 108.670 0.300 1 76 16 16 ILE H H 7.727 0.030 1 77 16 16 ILE HA H 4.705 0.030 1 78 16 16 ILE HB H 1.772 0.030 1 79 16 16 ILE HD1 H 0.737 0.030 1 80 16 16 ILE HG12 H 1.442 0.030 2 81 16 16 ILE HG13 H 0.955 0.030 2 82 16 16 ILE HG2 H 0.737 0.030 1 83 16 16 ILE C C 175.807 0.300 1 84 16 16 ILE CA C 60.703 0.300 1 85 16 16 ILE CB C 38.509 0.300 1 86 16 16 ILE CD1 C 12.871 0.300 1 87 16 16 ILE CG1 C 27.824 0.300 1 88 16 16 ILE CG2 C 17.916 0.300 1 89 16 16 ILE N N 120.267 0.300 1 90 17 17 HIS H H 9.101 0.030 1 91 17 17 HIS HA H 4.782 0.030 1 92 17 17 HIS HB2 H 2.907 0.030 1 93 17 17 HIS HB3 H 2.907 0.030 1 94 17 17 HIS HD2 H 6.992 0.030 1 95 17 17 HIS HE1 H 8.183 0.030 1 96 17 17 HIS C C 173.051 0.300 1 97 17 17 HIS CA C 55.353 0.300 1 98 17 17 HIS CB C 32.468 0.300 1 99 17 17 HIS CD2 C 120.676 0.300 1 100 17 17 HIS CE1 C 137.593 0.300 1 101 17 17 HIS N N 125.061 0.300 1 102 18 18 VAL H H 8.427 0.030 1 103 18 18 VAL HA H 4.375 0.030 1 104 18 18 VAL HB H 1.891 0.030 1 105 18 18 VAL HG1 H 0.709 0.030 1 106 18 18 VAL HG2 H 0.850 0.030 1 107 18 18 VAL C C 174.702 0.300 1 108 18 18 VAL CA C 62.035 0.300 1 109 18 18 VAL CB C 32.325 0.300 1 110 18 18 VAL CG1 C 20.956 0.300 2 111 18 18 VAL CG2 C 20.744 0.300 2 112 18 18 VAL N N 127.069 0.300 1 113 19 19 THR H H 9.272 0.030 1 114 19 19 THR HA H 4.512 0.030 1 115 19 19 THR HB H 3.815 0.030 1 116 19 19 THR HG2 H 1.061 0.030 1 117 19 19 THR C C 172.784 0.300 1 118 19 19 THR CA C 62.512 0.300 1 119 19 19 THR CB C 70.663 0.300 1 120 19 19 THR CG2 C 21.072 0.300 1 121 19 19 THR N N 126.619 0.300 1 122 20 20 ILE H H 8.737 0.030 1 123 20 20 ILE HA H 4.870 0.030 1 124 20 20 ILE HB H 1.736 0.030 1 125 20 20 ILE HD1 H 0.809 0.030 1 126 20 20 ILE HG12 H 1.480 0.030 2 127 20 20 ILE HG13 H 0.953 0.030 2 128 20 20 ILE HG2 H 0.534 0.030 1 129 20 20 ILE C C 175.315 0.300 1 130 20 20 ILE CA C 60.157 0.300 1 131 20 20 ILE CB C 38.603 0.300 1 132 20 20 ILE CD1 C 13.408 0.300 1 133 20 20 ILE CG1 C 28.108 0.300 1 134 20 20 ILE CG2 C 17.251 0.300 1 135 20 20 ILE N N 128.114 0.300 1 136 21 21 LEU H H 8.902 0.030 1 137 21 21 LEU HA H 4.804 0.030 1 138 21 21 LEU HB2 H 1.557 0.030 2 139 21 21 LEU HB3 H 1.274 0.030 2 140 21 21 LEU HD1 H 0.797 0.030 1 141 21 21 LEU HD2 H 0.858 0.030 1 142 21 21 LEU HG H 1.478 0.030 1 143 21 21 LEU C C 175.565 0.300 1 144 21 21 LEU CA C 52.731 0.300 1 145 21 21 LEU CB C 43.947 0.300 1 146 21 21 LEU CD1 C 23.295 0.300 2 147 21 21 LEU CD2 C 26.135 0.300 2 148 21 21 LEU CG C 26.542 0.300 1 149 21 21 LEU N N 125.457 0.300 1 150 22 22 HIS H H 8.577 0.030 1 151 22 22 HIS HA H 5.013 0.030 1 152 22 22 HIS HB2 H 3.183 0.030 2 153 22 22 HIS HB3 H 3.044 0.030 2 154 22 22 HIS HD2 H 7.141 0.030 1 155 22 22 HIS HE1 H 8.006 0.030 1 156 22 22 HIS C C 174.258 0.300 1 157 22 22 HIS CA C 55.880 0.300 1 158 22 22 HIS CB C 30.901 0.300 1 159 22 22 HIS CD2 C 119.950 0.300 1 160 22 22 HIS CE1 C 137.573 0.300 1 161 22 22 HIS N N 122.595 0.300 1 162 23 23 LYS H H 8.712 0.030 1 163 23 23 LYS HA H 4.880 0.030 1 164 23 23 LYS HB2 H 1.898 0.030 2 165 23 23 LYS HB3 H 1.625 0.030 2 166 23 23 LYS HD2 H 1.224 0.030 1 167 23 23 LYS HD3 H 1.224 0.030 1 168 23 23 LYS HE2 H 2.902 0.030 2 169 23 23 LYS HE3 H 2.663 0.030 2 170 23 23 LYS HG2 H 1.367 0.030 2 171 23 23 LYS HG3 H 0.978 0.030 2 172 23 23 LYS C C 174.265 0.300 1 173 23 23 LYS CA C 54.314 0.300 1 174 23 23 LYS CB C 36.068 0.300 1 175 23 23 LYS CD C 29.117 0.300 1 176 23 23 LYS CE C 42.795 0.300 1 177 23 23 LYS CG C 21.351 0.300 1 178 23 23 LYS N N 120.814 0.300 1 179 24 24 GLU H H 8.360 0.030 1 180 24 24 GLU HA H 4.350 0.030 1 181 24 24 GLU HB2 H 2.110 0.030 2 182 24 24 GLU HB3 H 1.868 0.030 2 183 24 24 GLU HG2 H 2.420 0.030 2 184 24 24 GLU HG3 H 2.367 0.030 2 185 24 24 GLU C C 177.843 0.300 1 186 24 24 GLU CA C 55.601 0.300 1 187 24 24 GLU CB C 30.512 0.300 1 188 24 24 GLU CG C 36.443 0.300 1 189 24 24 GLU N N 117.859 0.300 1 190 25 25 GLU H H 9.146 0.030 1 191 25 25 GLU HA H 3.924 0.030 1 192 25 25 GLU HB2 H 2.022 0.030 1 193 25 25 GLU HB3 H 2.022 0.030 1 194 25 25 GLU HG2 H 2.473 0.030 2 195 25 25 GLU HG3 H 2.352 0.030 2 196 25 25 GLU C C 177.809 0.300 1 197 25 25 GLU CA C 58.568 0.300 1 198 25 25 GLU CB C 29.313 0.300 1 199 25 25 GLU CG C 36.855 0.300 1 200 25 25 GLU N N 124.543 0.300 1 201 26 26 GLY H H 8.242 0.030 1 202 26 26 GLY HA2 H 4.287 0.030 2 203 26 26 GLY HA3 H 3.407 0.030 2 204 26 26 GLY C C 174.234 0.300 1 205 26 26 GLY CA C 46.113 0.300 1 206 26 26 GLY N N 115.394 0.300 1 207 27 27 ALA H H 7.432 0.030 1 208 27 27 ALA HA H 4.402 0.030 1 209 27 27 ALA HB H 1.494 0.030 1 210 27 27 ALA C C 178.138 0.300 1 211 27 27 ALA CA C 52.273 0.300 1 212 27 27 ALA CB C 20.214 0.300 1 213 27 27 ALA N N 122.323 0.300 1 214 28 28 GLY H H 8.624 0.030 1 215 28 28 GLY HA2 H 4.134 0.030 2 216 28 28 GLY HA3 H 3.953 0.030 2 217 28 28 GLY C C 174.069 0.300 1 218 28 28 GLY CA C 44.546 0.300 1 219 28 28 GLY N N 107.593 0.300 1 220 29 29 LEU H H 7.934 0.030 1 221 29 29 LEU HA H 4.059 0.030 1 222 29 29 LEU HB2 H 1.502 0.030 2 223 29 29 LEU HB3 H 1.307 0.030 2 224 29 29 LEU HD1 H 0.755 0.030 1 225 29 29 LEU HD2 H 0.651 0.030 1 226 29 29 LEU HG H 1.644 0.030 1 227 29 29 LEU C C 177.548 0.300 1 228 29 29 LEU CA C 56.298 0.300 1 229 29 29 LEU CB C 41.940 0.300 1 230 29 29 LEU CD1 C 25.487 0.300 2 231 29 29 LEU CD2 C 23.510 0.300 2 232 29 29 LEU CG C 27.632 0.300 1 233 29 29 LEU N N 115.495 0.300 1 234 30 30 GLY H H 8.669 0.030 1 235 30 30 GLY HA2 H 4.264 0.030 2 236 30 30 GLY HA3 H 4.001 0.030 2 237 30 30 GLY C C 175.296 0.300 1 238 30 30 GLY CA C 46.368 0.300 1 239 30 30 GLY N N 103.121 0.300 1 240 31 31 PHE H H 7.044 0.030 1 241 31 31 PHE HA H 4.541 0.030 1 242 31 31 PHE HB2 H 3.243 0.030 2 243 31 31 PHE HB3 H 2.786 0.030 2 244 31 31 PHE HD1 H 6.845 0.030 1 245 31 31 PHE HD2 H 6.845 0.030 1 246 31 31 PHE HE1 H 6.916 0.030 1 247 31 31 PHE HE2 H 6.916 0.030 1 248 31 31 PHE HZ H 6.800 0.030 1 249 31 31 PHE C C 171.141 0.300 1 250 31 31 PHE CA C 55.704 0.300 1 251 31 31 PHE CB C 40.745 0.300 1 252 31 31 PHE CD1 C 132.521 0.300 1 253 31 31 PHE CD2 C 132.521 0.300 1 254 31 31 PHE CE1 C 130.423 0.300 1 255 31 31 PHE CE2 C 130.423 0.300 1 256 31 31 PHE CZ C 127.852 0.300 1 257 31 31 PHE N N 115.404 0.300 1 258 32 32 SER H H 8.752 0.030 1 259 32 32 SER HA H 4.990 0.030 1 260 32 32 SER HB2 H 4.474 0.030 2 261 32 32 SER HB3 H 4.081 0.030 2 262 32 32 SER C C 175.049 0.300 1 263 32 32 SER CA C 55.001 0.300 1 264 32 32 SER CB C 67.170 0.300 1 265 32 32 SER N N 113.639 0.300 1 266 33 33 LEU H H 8.639 0.030 1 267 33 33 LEU HA H 5.573 0.030 1 268 33 33 LEU HB2 H 1.669 0.030 2 269 33 33 LEU HB3 H 1.406 0.030 2 270 33 33 LEU HD1 H 0.699 0.030 1 271 33 33 LEU HD2 H 0.898 0.030 1 272 33 33 LEU HG H 1.682 0.030 1 273 33 33 LEU C C 175.827 0.300 1 274 33 33 LEU CA C 53.620 0.300 1 275 33 33 LEU CB C 45.399 0.300 1 276 33 33 LEU CD1 C 26.340 0.300 2 277 33 33 LEU CD2 C 24.131 0.300 2 278 33 33 LEU CG C 26.299 0.300 1 279 33 33 LEU N N 118.936 0.300 1 280 34 34 ALA H H 9.410 0.030 1 281 34 34 ALA HA H 4.749 0.030 1 282 34 34 ALA HB H 1.282 0.030 1 283 34 34 ALA C C 176.231 0.300 1 284 34 34 ALA CA C 50.425 0.300 1 285 34 34 ALA CB C 22.518 0.300 1 286 34 34 ALA N N 124.395 0.300 1 287 35 35 GLY H H 8.130 0.030 1 288 35 35 GLY HA2 H 4.712 0.030 2 289 35 35 GLY HA3 H 3.955 0.030 2 290 35 35 GLY C C 174.750 0.300 1 291 35 35 GLY CA C 44.494 0.300 1 292 35 35 GLY N N 103.650 0.300 1 293 36 36 GLY H H 8.217 0.030 1 294 36 36 GLY HA2 H 4.494 0.030 2 295 36 36 GLY HA3 H 3.836 0.030 2 296 36 36 GLY C C 174.410 0.300 1 297 36 36 GLY CA C 45.462 0.300 1 298 36 36 GLY N N 122.114 0.300 1 299 37 37 ALA H H 8.963 0.030 1 300 37 37 ALA HA H 3.998 0.030 1 301 37 37 ALA HB H 1.215 0.030 1 302 37 37 ALA C C 176.935 0.300 1 303 37 37 ALA CA C 55.308 0.300 1 304 37 37 ALA CB C 18.822 0.300 1 305 37 37 ALA N N 123.418 0.300 1 306 38 38 ASP H H 10.586 0.030 1 307 38 38 ASP HA H 4.485 0.030 1 308 38 38 ASP HB2 H 2.895 0.030 2 309 38 38 ASP HB3 H 2.692 0.030 2 310 38 38 ASP C C 175.309 0.300 1 311 38 38 ASP CA C 52.730 0.300 1 312 38 38 ASP CB C 38.689 0.300 1 313 38 38 ASP N N 111.480 0.300 1 314 39 39 LEU H H 7.789 0.030 1 315 39 39 LEU HA H 4.699 0.030 1 316 39 39 LEU HB2 H 1.848 0.030 2 317 39 39 LEU HB3 H 1.617 0.030 2 318 39 39 LEU HD1 H 0.702 0.030 1 319 39 39 LEU HD2 H 0.509 0.030 1 320 39 39 LEU HG H 1.400 0.030 1 321 39 39 LEU C C 176.377 0.300 1 322 39 39 LEU CA C 52.952 0.300 1 323 39 39 LEU CB C 43.294 0.300 1 324 39 39 LEU CD1 C 22.411 0.300 2 325 39 39 LEU CD2 C 25.902 0.300 2 326 39 39 LEU CG C 26.832 0.300 1 327 39 39 LEU N N 122.545 0.300 1 328 40 40 GLU H H 8.331 0.030 1 329 40 40 GLU HA H 3.978 0.030 1 330 40 40 GLU HB2 H 1.993 0.030 1 331 40 40 GLU HB3 H 1.993 0.030 1 332 40 40 GLU HG2 H 2.276 0.030 1 333 40 40 GLU HG3 H 2.276 0.030 1 334 40 40 GLU C C 176.887 0.300 1 335 40 40 GLU CA C 59.066 0.300 1 336 40 40 GLU CB C 29.523 0.300 1 337 40 40 GLU CG C 36.443 0.300 1 338 40 40 GLU N N 118.036 0.300 1 339 41 41 ASN H H 7.890 0.030 1 340 41 41 ASN HA H 4.820 0.030 1 341 41 41 ASN HB2 H 2.822 0.030 2 342 41 41 ASN HB3 H 2.724 0.030 2 343 41 41 ASN HD21 H 7.685 0.030 2 344 41 41 ASN HD22 H 6.774 0.030 2 345 41 41 ASN CA C 52.316 0.300 1 346 41 41 ASN CB C 37.409 0.300 1 347 41 41 ASN N N 115.196 0.300 1 348 41 41 ASN ND2 N 112.492 0.300 1 349 42 42 LYS H H 7.943 0.030 1 350 42 42 LYS HA H 4.328 0.030 1 351 42 42 LYS HB2 H 1.881 0.030 2 352 42 42 LYS HB3 H 1.720 0.030 2 353 42 42 LYS HD2 H 1.866 0.030 2 354 42 42 LYS HD3 H 1.668 0.030 2 355 42 42 LYS HE2 H 3.149 0.030 2 356 42 42 LYS HE3 H 3.055 0.030 2 357 42 42 LYS HG2 H 1.442 0.030 2 358 42 42 LYS HG3 H 1.396 0.030 2 359 42 42 LYS C C 177.081 0.300 1 360 42 42 LYS CA C 56.567 0.300 1 361 42 42 LYS CB C 33.120 0.300 1 362 42 42 LYS CD C 28.985 0.300 1 363 42 42 LYS CE C 42.930 0.300 1 364 42 42 LYS CG C 24.818 0.300 1 365 42 42 LYS N N 120.612 0.300 1 366 43 43 VAL H H 7.456 0.030 1 367 43 43 VAL HA H 4.059 0.030 1 368 43 43 VAL HB H 1.945 0.030 1 369 43 43 VAL HG1 H 0.900 0.030 1 370 43 43 VAL HG2 H 0.860 0.030 1 371 43 43 VAL CA C 61.330 0.300 1 372 43 43 VAL CB C 32.819 0.300 1 373 43 43 VAL CG1 C 21.156 0.300 2 374 43 43 VAL CG2 C 20.932 0.300 2 375 43 43 VAL N N 118.284 0.300 1 376 44 44 ILE H H 8.481 0.030 1 377 44 44 ILE HA H 4.913 0.030 1 378 44 44 ILE HB H 2.072 0.030 1 379 44 44 ILE HD1 H 0.759 0.030 1 380 44 44 ILE HG12 H 1.465 0.030 1 381 44 44 ILE HG13 H 1.465 0.030 1 382 44 44 ILE HG2 H 0.929 0.030 1 383 44 44 ILE C C 176.719 0.300 1 384 44 44 ILE CA C 59.946 0.300 1 385 44 44 ILE CB C 35.784 0.300 1 386 44 44 ILE CD1 C 11.895 0.300 1 387 44 44 ILE CG1 C 27.712 0.300 1 388 44 44 ILE CG2 C 19.968 0.300 1 389 44 44 ILE N N 127.089 0.300 1 390 45 45 THR H H 8.906 0.030 1 391 45 45 THR HA H 5.400 0.030 1 392 45 45 THR HB H 3.693 0.030 1 393 45 45 THR HG2 H 0.954 0.030 1 394 45 45 THR CA C 58.528 0.300 1 395 45 45 THR CB C 73.760 0.300 1 396 45 45 THR CG2 C 21.945 0.300 1 397 45 45 THR N N 116.832 0.300 1 398 46 46 VAL H H 8.336 0.030 1 399 46 46 VAL HA H 4.059 0.030 1 400 46 46 VAL HB H 2.139 0.030 1 401 46 46 VAL HG1 H 0.507 0.030 1 402 46 46 VAL HG2 H 0.463 0.030 1 403 46 46 VAL C C 176.648 0.300 1 404 46 46 VAL CA C 63.058 0.300 1 405 46 46 VAL CB C 31.601 0.300 1 406 46 46 VAL CG1 C 21.923 0.300 2 407 46 46 VAL CG2 C 21.195 0.300 2 408 46 46 VAL N N 118.542 0.300 1 409 47 47 HIS H H 9.382 0.030 1 410 47 47 HIS HA H 4.628 0.030 1 411 47 47 HIS HB2 H 3.245 0.030 2 412 47 47 HIS HB3 H 2.809 0.030 2 413 47 47 HIS HD2 H 7.049 0.030 1 414 47 47 HIS HE1 H 7.729 0.030 1 415 47 47 HIS C C 174.339 0.300 1 416 47 47 HIS CA C 57.764 0.300 1 417 47 47 HIS CB C 31.453 0.300 1 418 47 47 HIS CD2 C 118.892 0.300 1 419 47 47 HIS CE1 C 138.905 0.300 1 420 47 47 HIS N N 133.900 0.300 1 421 48 48 ARG H H 7.135 0.030 1 422 48 48 ARG HA H 4.360 0.030 1 423 48 48 ARG HB2 H 1.615 0.030 2 424 48 48 ARG HB3 H 1.546 0.030 2 425 48 48 ARG HD2 H 3.099 0.030 1 426 48 48 ARG HD3 H 3.099 0.030 1 427 48 48 ARG HG2 H 1.276 0.030 2 428 48 48 ARG HG3 H 1.160 0.030 2 429 48 48 ARG C C 173.877 0.300 1 430 48 48 ARG CA C 54.385 0.300 1 431 48 48 ARG CB C 33.996 0.300 1 432 48 48 ARG CD C 43.363 0.300 1 433 48 48 ARG CG C 27.382 0.300 1 434 48 48 ARG N N 114.736 0.300 1 435 49 49 VAL H H 8.690 0.030 1 436 49 49 VAL HA H 4.015 0.030 1 437 49 49 VAL HB H 1.917 0.030 1 438 49 49 VAL HG1 H 0.821 0.030 1 439 49 49 VAL HG2 H 0.622 0.030 1 440 49 49 VAL C C 176.255 0.300 1 441 49 49 VAL CA C 61.882 0.300 1 442 49 49 VAL CB C 32.261 0.300 1 443 49 49 VAL CG1 C 21.698 0.300 2 444 49 49 VAL CG2 C 21.608 0.300 2 445 49 49 VAL N N 122.844 0.300 1 446 50 50 PHE H H 7.866 0.030 1 447 50 50 PHE HA H 4.866 0.030 1 448 50 50 PHE HB2 H 3.416 0.030 2 449 50 50 PHE HB3 H 2.786 0.030 2 450 50 50 PHE HD1 H 7.101 0.030 1 451 50 50 PHE HD2 H 7.101 0.030 1 452 50 50 PHE HE1 H 7.297 0.030 1 453 50 50 PHE HE2 H 7.297 0.030 1 454 50 50 PHE HZ H 7.186 0.030 1 455 50 50 PHE C C 174.847 0.300 1 456 50 50 PHE CA C 54.596 0.300 1 457 50 50 PHE CB C 36.558 0.300 1 458 50 50 PHE CD1 C 130.364 0.300 1 459 50 50 PHE CD2 C 130.364 0.300 1 460 50 50 PHE CE1 C 131.478 0.300 1 461 50 50 PHE CE2 C 131.478 0.300 1 462 50 50 PHE CZ C 129.760 0.300 1 463 50 50 PHE N N 128.498 0.300 1 464 51 51 PRO HA H 4.386 0.030 1 465 51 51 PRO HB2 H 2.363 0.030 2 466 51 51 PRO HB3 H 1.934 0.030 2 467 51 51 PRO HD2 H 4.135 0.030 2 468 51 51 PRO HD3 H 3.807 0.030 2 469 51 51 PRO HG2 H 2.178 0.030 2 470 51 51 PRO HG3 H 2.109 0.030 2 471 51 51 PRO C C 177.321 0.300 1 472 51 51 PRO CA C 64.381 0.300 1 473 51 51 PRO CB C 31.773 0.300 1 474 51 51 PRO CD C 51.052 0.300 1 475 51 51 PRO CG C 27.794 0.300 1 476 52 52 ASN H H 8.814 0.030 1 477 52 52 ASN HA H 4.496 0.030 1 478 52 52 ASN HB2 H 3.015 0.030 1 479 52 52 ASN HB3 H 3.015 0.030 1 480 52 52 ASN HD21 H 7.609 0.030 2 481 52 52 ASN HD22 H 6.971 0.030 2 482 52 52 ASN C C 174.823 0.300 1 483 52 52 ASN CA C 54.719 0.300 1 484 52 52 ASN CB C 38.109 0.300 1 485 52 52 ASN N N 116.145 0.300 1 486 52 52 ASN ND2 N 113.642 0.300 1 487 53 53 GLY H H 7.730 0.030 1 488 53 53 GLY HA2 H 4.430 0.030 2 489 53 53 GLY HA3 H 4.089 0.030 2 490 53 53 GLY C C 174.810 0.300 1 491 53 53 GLY CA C 44.987 0.300 1 492 53 53 GLY N N 106.196 0.300 1 493 54 54 LEU H H 8.764 0.030 1 494 54 54 LEU HA H 4.041 0.030 1 495 54 54 LEU HB2 H 1.758 0.030 2 496 54 54 LEU HB3 H 1.527 0.030 2 497 54 54 LEU HD1 H 0.981 0.030 1 498 54 54 LEU HD2 H 1.054 0.030 1 499 54 54 LEU HG H 1.773 0.030 1 500 54 54 LEU C C 179.712 0.300 1 501 54 54 LEU CA C 58.310 0.300 1 502 54 54 LEU CB C 42.390 0.300 1 503 54 54 LEU CD1 C 25.064 0.300 2 504 54 54 LEU CD2 C 25.837 0.300 2 505 54 54 LEU CG C 26.966 0.300 1 506 54 54 LEU N N 118.836 0.300 1 507 55 55 ALA H H 7.593 0.030 1 508 55 55 ALA HA H 4.275 0.030 1 509 55 55 ALA HB H 1.474 0.030 1 510 55 55 ALA C C 181.307 0.300 1 511 55 55 ALA CA C 54.825 0.300 1 512 55 55 ALA CB C 18.345 0.300 1 513 55 55 ALA N N 118.782 0.300 1 514 56 56 SER H H 9.339 0.030 1 515 56 56 SER HA H 4.023 0.030 1 516 56 56 SER HB2 H 4.024 0.030 2 517 56 56 SER C C 176.392 0.300 1 518 56 56 SER CA C 60.984 0.300 1 519 56 56 SER CB C 62.987 0.300 1 520 56 56 SER N N 117.631 0.300 1 521 57 57 GLN H H 7.942 0.030 1 522 57 57 GLN HA H 4.034 0.030 1 523 57 57 GLN HB2 H 2.164 0.030 1 524 57 57 GLN HB3 H 2.164 0.030 1 525 57 57 GLN HE21 H 7.269 0.030 2 526 57 57 GLN HE22 H 6.813 0.030 2 527 57 57 GLN HG2 H 2.506 0.030 2 528 57 57 GLN HG3 H 2.398 0.030 2 529 57 57 GLN C C 177.400 0.300 1 530 57 57 GLN CA C 58.362 0.300 1 531 57 57 GLN CB C 28.801 0.300 1 532 57 57 GLN CG C 34.075 0.300 1 533 57 57 GLN N N 118.162 0.300 1 534 57 57 GLN NE2 N 111.334 0.300 1 535 58 58 GLU H H 7.683 0.030 1 536 58 58 GLU HA H 4.163 0.030 1 537 58 58 GLU HB2 H 2.137 0.030 2 538 58 58 GLU HB3 H 1.959 0.030 2 539 58 58 GLU HG2 H 2.478 0.030 1 540 58 58 GLU HG3 H 2.478 0.030 1 541 58 58 GLU C C 179.248 0.300 1 542 58 58 GLU CA C 59.559 0.300 1 543 58 58 GLU CB C 29.317 0.300 1 544 58 58 GLU CG C 36.278 0.300 1 545 58 58 GLU N N 119.877 0.300 1 546 59 59 GLY H H 7.446 0.030 1 547 59 59 GLY HA2 H 4.100 0.030 2 548 59 59 GLY HA3 H 3.770 0.030 2 549 59 59 GLY C C 175.432 0.300 1 550 59 59 GLY CA C 46.817 0.300 1 551 59 59 GLY N N 102.653 0.300 1 552 60 60 THR H H 8.343 0.030 1 553 60 60 THR HA H 4.037 0.030 1 554 60 60 THR HB H 3.913 0.030 1 555 60 60 THR HG2 H 1.020 0.030 1 556 60 60 THR C C 175.843 0.300 1 557 60 60 THR CA C 64.792 0.300 1 558 60 60 THR CB C 69.325 0.300 1 559 60 60 THR CG2 C 21.615 0.300 1 560 60 60 THR N N 113.863 0.300 1 561 61 61 ILE H H 8.802 0.030 1 562 61 61 ILE HA H 3.631 0.030 1 563 61 61 ILE HB H 1.438 0.030 1 564 61 61 ILE HD1 H 0.594 0.030 1 565 61 61 ILE HG12 H 1.618 0.030 2 566 61 61 ILE HG13 H 0.599 0.030 2 567 61 61 ILE HG2 H -0.030 0.030 1 568 61 61 ILE C C 174.198 0.300 1 569 61 61 ILE CA C 62.938 0.300 1 570 61 61 ILE CB C 37.225 0.300 1 571 61 61 ILE CD1 C 13.838 0.300 1 572 61 61 ILE CG1 C 28.298 0.300 1 573 61 61 ILE CG2 C 17.084 0.300 1 574 61 61 ILE N N 126.153 0.300 1 575 62 62 GLN H H 7.124 0.030 1 576 62 62 GLN HA H 4.500 0.030 1 577 62 62 GLN HB2 H 1.970 0.030 2 578 62 62 GLN HB3 H 1.630 0.030 2 579 62 62 GLN HE21 H 7.162 0.030 2 580 62 62 GLN HE22 H 6.710 0.030 2 581 62 62 GLN HG2 H 2.146 0.030 1 582 62 62 GLN HG3 H 2.146 0.030 1 583 62 62 GLN C C 174.556 0.300 1 584 62 62 GLN CA C 53.364 0.300 1 585 62 62 GLN CB C 32.196 0.300 1 586 62 62 GLN CG C 33.438 0.300 1 587 62 62 GLN N N 123.730 0.300 1 588 62 62 GLN NE2 N 112.363 0.300 1 589 63 63 LYS H H 8.399 0.030 1 590 63 63 LYS HA H 3.464 0.030 1 591 63 63 LYS HB2 H 1.714 0.030 2 592 63 63 LYS HB3 H 1.603 0.030 2 593 63 63 LYS HD2 H 1.713 0.030 2 594 63 63 LYS HD3 H 1.650 0.030 2 595 63 63 LYS HE2 H 2.994 0.030 1 596 63 63 LYS HE3 H 2.994 0.030 1 597 63 63 LYS HG2 H 1.444 0.030 2 598 63 63 LYS HG3 H 1.233 0.030 2 599 63 63 LYS CA C 57.905 0.300 1 600 63 63 LYS CB C 32.260 0.300 1 601 63 63 LYS CD C 29.616 0.300 1 602 63 63 LYS CE C 42.093 0.300 1 603 63 63 LYS CG C 24.040 0.300 1 604 63 63 LYS N N 121.381 0.300 1 605 64 64 GLY H H 9.265 0.030 1 606 64 64 GLY HA2 H 4.415 0.030 2 607 64 64 GLY HA3 H 3.639 0.030 2 608 64 64 GLY CA C 44.881 0.300 1 609 64 64 GLY N N 113.750 0.300 1 610 65 65 ASN H H 7.594 0.030 1 611 65 65 ASN HA H 4.798 0.030 1 612 65 65 ASN HB2 H 2.662 0.030 2 613 65 65 ASN HB3 H 2.568 0.030 2 614 65 65 ASN HD21 H 7.739 0.030 2 615 65 65 ASN HD22 H 7.256 0.030 2 616 65 65 ASN C C 175.042 0.300 1 617 65 65 ASN CA C 53.047 0.300 1 618 65 65 ASN CB C 38.153 0.300 1 619 65 65 ASN N N 117.999 0.300 1 620 65 65 ASN ND2 N 110.866 0.300 1 621 66 66 GLU H H 8.538 0.030 1 622 66 66 GLU HA H 4.634 0.030 1 623 66 66 GLU HB2 H 1.908 0.030 1 624 66 66 GLU HB3 H 1.908 0.030 1 625 66 66 GLU HG2 H 2.458 0.030 2 626 66 66 GLU HG3 H 1.844 0.030 2 627 66 66 GLU C C 176.620 0.300 1 628 66 66 GLU CA C 55.863 0.300 1 629 66 66 GLU CB C 30.899 0.300 1 630 66 66 GLU CG C 35.949 0.300 1 631 66 66 GLU N N 122.233 0.300 1 632 67 67 VAL H H 8.452 0.030 1 633 67 67 VAL HA H 4.172 0.030 1 634 67 67 VAL HB H 1.873 0.030 1 635 67 67 VAL HG1 H 0.733 0.030 1 636 67 67 VAL HG2 H 0.667 0.030 1 637 67 67 VAL C C 174.641 0.300 1 638 67 67 VAL CA C 61.856 0.300 1 639 67 67 VAL CB C 31.066 0.300 1 640 67 67 VAL CG1 C 22.478 0.300 2 641 67 67 VAL CG2 C 22.230 0.300 2 642 67 67 VAL N N 126.311 0.300 1 643 68 68 LEU H H 9.000 0.030 1 644 68 68 LEU HA H 4.390 0.030 1 645 68 68 LEU HB2 H 1.527 0.030 2 646 68 68 LEU HB3 H 1.412 0.030 2 647 68 68 LEU HD1 H 0.756 0.030 1 648 68 68 LEU HD2 H 0.767 0.030 1 649 68 68 LEU HG H 1.458 0.030 1 650 68 68 LEU C C 178.924 0.300 1 651 68 68 LEU CA C 56.990 0.300 1 652 68 68 LEU CB C 42.392 0.300 1 653 68 68 LEU CD1 C 26.064 0.300 2 654 68 68 LEU CD2 C 23.925 0.300 2 655 68 68 LEU CG C 28.617 0.300 1 656 68 68 LEU N N 127.175 0.300 1 657 69 69 SER H H 7.666 0.030 1 658 69 69 SER HA H 5.144 0.030 1 659 69 69 SER HB2 H 3.770 0.030 2 660 69 69 SER HB3 H 3.275 0.030 2 661 69 69 SER C C 172.722 0.300 1 662 69 69 SER CA C 57.606 0.300 1 663 69 69 SER CB C 64.511 0.300 1 664 69 69 SER N N 110.346 0.300 1 665 70 70 ILE H H 7.965 0.030 1 666 70 70 ILE HA H 4.548 0.030 1 667 70 70 ILE HB H 1.550 0.030 1 668 70 70 ILE HD1 H 0.842 0.030 1 669 70 70 ILE HG12 H 1.600 0.030 2 670 70 70 ILE HG13 H 0.969 0.030 2 671 70 70 ILE HG2 H 0.729 0.030 1 672 70 70 ILE C C 174.993 0.300 1 673 70 70 ILE CA C 60.897 0.300 1 674 70 70 ILE CB C 41.186 0.300 1 675 70 70 ILE CD1 C 13.804 0.300 1 676 70 70 ILE CG1 C 27.838 0.300 1 677 70 70 ILE CG2 C 16.590 0.300 1 678 70 70 ILE N N 119.579 0.300 1 679 71 71 ASN H H 9.839 0.030 1 680 71 71 ASN HA H 4.485 0.030 1 681 71 71 ASN HB2 H 3.124 0.030 2 682 71 71 ASN HB3 H 2.994 0.030 2 683 71 71 ASN HD21 H 7.893 0.030 2 684 71 71 ASN HD22 H 7.813 0.030 2 685 71 71 ASN C C 174.975 0.300 1 686 71 71 ASN CA C 54.085 0.300 1 687 71 71 ASN CB C 36.255 0.300 1 688 71 71 ASN N N 126.963 0.300 1 689 71 71 ASN ND2 N 111.444 0.300 1 690 72 72 GLY H H 8.911 0.030 1 691 72 72 GLY HA2 H 4.149 0.030 2 692 72 72 GLY HA3 H 3.507 0.030 2 693 72 72 GLY C C 173.594 0.300 1 694 72 72 GLY CA C 45.162 0.300 1 695 72 72 GLY N N 103.020 0.300 1 696 73 73 LYS H H 7.922 0.030 1 697 73 73 LYS HA H 4.485 0.030 1 698 73 73 LYS HB2 H 2.005 0.030 2 699 73 73 LYS HB3 H 1.813 0.030 2 700 73 73 LYS HD2 H 1.865 0.030 2 701 73 73 LYS HD3 H 1.715 0.030 2 702 73 73 LYS HE2 H 3.034 0.030 1 703 73 73 LYS HE3 H 3.034 0.030 1 704 73 73 LYS HG2 H 1.437 0.030 1 705 73 73 LYS HG3 H 1.437 0.030 1 706 73 73 LYS C C 175.036 0.300 1 707 73 73 LYS CA C 54.719 0.300 1 708 73 73 LYS CB C 32.137 0.300 1 709 73 73 LYS CD C 28.914 0.300 1 710 73 73 LYS CE C 42.457 0.300 1 711 73 73 LYS CG C 24.812 0.300 1 712 73 73 LYS N N 122.413 0.300 1 713 74 74 SER H H 8.585 0.030 1 714 74 74 SER HA H 4.452 0.030 1 715 74 74 SER HB2 H 4.026 0.030 2 716 74 74 SER HB3 H 3.840 0.030 2 717 74 74 SER C C 175.965 0.300 1 718 74 74 SER CA C 58.028 0.300 1 719 74 74 SER CB C 63.799 0.300 1 720 74 74 SER N N 118.737 0.300 1 721 75 75 LEU H H 8.015 0.030 1 722 75 75 LEU HA H 4.661 0.030 1 723 75 75 LEU HB2 H 1.876 0.030 2 724 75 75 LEU HB3 H 1.693 0.030 2 725 75 75 LEU HD1 H 0.884 0.030 1 726 75 75 LEU HD2 H 0.840 0.030 1 727 75 75 LEU HG H 1.586 0.030 1 728 75 75 LEU C C 178.117 0.300 1 729 75 75 LEU CA C 53.980 0.300 1 730 75 75 LEU CB C 40.830 0.300 1 731 75 75 LEU CD1 C 25.896 0.300 2 732 75 75 LEU CD2 C 24.797 0.300 2 733 75 75 LEU CG C 28.782 0.300 1 734 75 75 LEU N N 125.425 0.300 1 735 76 76 LYS H H 8.099 0.030 1 736 76 76 LYS HA H 4.210 0.030 1 737 76 76 LYS HB2 H 1.881 0.030 2 738 76 76 LYS HB3 H 1.776 0.030 2 739 76 76 LYS HD2 H 1.720 0.030 1 740 76 76 LYS HD3 H 1.720 0.030 1 741 76 76 LYS HE2 H 2.985 0.030 1 742 76 76 LYS HE3 H 2.985 0.030 1 743 76 76 LYS HG2 H 1.513 0.030 2 744 76 76 LYS HG3 H 1.418 0.030 2 745 76 76 LYS C C 178.487 0.300 1 746 76 76 LYS CA C 58.010 0.300 1 747 76 76 LYS CB C 31.683 0.300 1 748 76 76 LYS CD C 29.186 0.300 1 749 76 76 LYS CE C 42.105 0.300 1 750 76 76 LYS CG C 24.388 0.300 1 751 76 76 LYS N N 124.064 0.300 1 752 77 77 GLY H H 8.859 0.030 1 753 77 77 GLY HA2 H 4.110 0.030 2 754 77 77 GLY HA3 H 3.869 0.030 2 755 77 77 GLY C C 174.335 0.300 1 756 77 77 GLY CA C 46.232 0.300 1 757 77 77 GLY N N 115.659 0.300 1 758 78 78 THR H H 7.654 0.030 1 759 78 78 THR HA H 4.624 0.030 1 760 78 78 THR HB H 4.203 0.030 1 761 78 78 THR HG2 H 1.298 0.030 1 762 78 78 THR C C 177.272 0.300 1 763 78 78 THR CA C 61.794 0.300 1 764 78 78 THR CB C 70.595 0.300 1 765 78 78 THR CG2 C 22.620 0.300 1 766 78 78 THR N N 112.847 0.300 1 767 79 79 THR H H 8.813 0.030 1 768 79 79 THR HA H 4.395 0.030 1 769 79 79 THR HB H 4.630 0.030 1 770 79 79 THR HG2 H 1.412 0.030 1 771 79 79 THR C C 174.503 0.300 1 772 79 79 THR CA C 61.724 0.300 1 773 79 79 THR CB C 71.007 0.300 1 774 79 79 THR CG2 C 22.439 0.300 1 775 79 79 THR N N 114.123 0.300 1 776 80 80 HIS H H 10.266 0.030 1 777 80 80 HIS HA H 4.331 0.030 1 778 80 80 HIS HB2 H 3.427 0.030 2 779 80 80 HIS HB3 H 3.138 0.030 2 780 80 80 HIS HD2 H 7.001 0.030 1 781 80 80 HIS HE1 H 7.986 0.030 1 782 80 80 HIS C C 177.075 0.300 1 783 80 80 HIS CA C 61.338 0.300 1 784 80 80 HIS CB C 28.651 0.300 1 785 80 80 HIS CD2 C 124.643 0.300 1 786 80 80 HIS CE1 C 138.008 0.300 1 787 80 80 HIS N N 122.776 0.300 1 788 81 81 HIS H H 9.335 0.030 1 789 81 81 HIS HA H 4.078 0.030 1 790 81 81 HIS HB2 H 3.287 0.030 2 791 81 81 HIS HB3 H 3.069 0.030 2 792 81 81 HIS HD2 H 7.207 0.030 1 793 81 81 HIS HE1 H 8.108 0.030 1 794 81 81 HIS C C 178.269 0.300 1 795 81 81 HIS CA C 60.210 0.300 1 796 81 81 HIS CB C 29.569 0.300 1 797 81 81 HIS CD2 C 121.137 0.300 1 798 81 81 HIS CE1 C 137.578 0.300 1 799 81 81 HIS N N 114.733 0.300 1 800 82 82 ASP H H 7.741 0.030 1 801 82 82 ASP HA H 4.452 0.030 1 802 82 82 ASP HB2 H 2.857 0.030 2 803 82 82 ASP HB3 H 2.596 0.030 2 804 82 82 ASP C C 178.683 0.300 1 805 82 82 ASP CA C 57.148 0.300 1 806 82 82 ASP CB C 39.522 0.300 1 807 82 82 ASP N N 121.407 0.300 1 808 83 83 ALA H H 8.502 0.030 1 809 83 83 ALA HA H 3.939 0.030 1 810 83 83 ALA HB H 1.479 0.030 1 811 83 83 ALA C C 179.361 0.300 1 812 83 83 ALA CA C 55.635 0.300 1 813 83 83 ALA CB C 18.124 0.300 1 814 83 83 ALA N N 125.049 0.300 1 815 84 84 LEU H H 8.100 0.030 1 816 84 84 LEU HA H 3.792 0.030 1 817 84 84 LEU HB2 H 1.703 0.030 2 818 84 84 LEU HB3 H 1.403 0.030 2 819 84 84 LEU HD1 H 0.713 0.030 1 820 84 84 LEU HD2 H 0.779 0.030 1 821 84 84 LEU HG H 1.482 0.030 1 822 84 84 LEU C C 180.173 0.300 1 823 84 84 LEU CA C 57.932 0.300 1 824 84 84 LEU CB C 41.157 0.300 1 825 84 84 LEU CD1 C 24.627 0.300 2 826 84 84 LEU CD2 C 23.553 0.300 2 827 84 84 LEU CG C 27.464 0.300 1 828 84 84 LEU N N 117.139 0.300 1 829 85 85 ALA H H 7.715 0.030 1 830 85 85 ALA HA H 4.061 0.030 1 831 85 85 ALA HB H 1.483 0.030 1 832 85 85 ALA C C 180.380 0.300 1 833 85 85 ALA CA C 55.212 0.300 1 834 85 85 ALA CB C 17.803 0.300 1 835 85 85 ALA N N 122.448 0.300 1 836 86 86 ILE H H 7.669 0.030 1 837 86 86 ILE HA H 3.678 0.030 1 838 86 86 ILE HB H 1.960 0.030 1 839 86 86 ILE HD1 H 0.804 0.030 1 840 86 86 ILE HG12 H 1.850 0.030 2 841 86 86 ILE HG13 H 0.997 0.030 2 842 86 86 ILE HG2 H 0.899 0.030 1 843 86 86 ILE C C 178.692 0.300 1 844 86 86 ILE CA C 65.226 0.300 1 845 86 86 ILE CB C 38.099 0.300 1 846 86 86 ILE CD1 C 13.999 0.300 1 847 86 86 ILE CG1 C 29.937 0.300 1 848 86 86 ILE CG2 C 18.073 0.300 1 849 86 86 ILE N N 121.804 0.300 1 850 87 87 LEU H H 7.922 0.030 1 851 87 87 LEU HA H 3.903 0.030 1 852 87 87 LEU HB2 H 2.013 0.030 2 853 87 87 LEU HB3 H 1.283 0.030 2 854 87 87 LEU HD1 H 0.754 0.030 1 855 87 87 LEU HD2 H 0.477 0.030 1 856 87 87 LEU HG H 1.496 0.030 1 857 87 87 LEU C C 178.610 0.300 1 858 87 87 LEU CA C 58.221 0.300 1 859 87 87 LEU CB C 42.344 0.300 1 860 87 87 LEU CD1 C 26.109 0.300 2 861 87 87 LEU CD2 C 24.110 0.300 2 862 87 87 LEU CG C 26.514 0.300 1 863 87 87 LEU N N 121.947 0.300 1 864 88 88 ARG H H 8.317 0.030 1 865 88 88 ARG HA H 4.060 0.030 1 866 88 88 ARG HB2 H 1.949 0.030 1 867 88 88 ARG HB3 H 1.949 0.030 1 868 88 88 ARG HD2 H 3.219 0.030 1 869 88 88 ARG HD3 H 3.219 0.030 1 870 88 88 ARG HG2 H 1.729 0.030 2 871 88 88 ARG HG3 H 1.597 0.030 2 872 88 88 ARG C C 180.698 0.300 1 873 88 88 ARG CA C 59.383 0.300 1 874 88 88 ARG CB C 30.055 0.300 1 875 88 88 ARG CD C 43.378 0.300 1 876 88 88 ARG CG C 27.822 0.300 1 877 88 88 ARG N N 119.343 0.300 1 878 89 89 GLN H H 8.270 0.030 1 879 89 89 GLN HA H 4.122 0.030 1 880 89 89 GLN HB2 H 2.261 0.030 2 881 89 89 GLN HB3 H 2.185 0.030 2 882 89 89 GLN HE21 H 7.371 0.030 2 883 89 89 GLN HE22 H 6.804 0.030 2 884 89 89 GLN HG2 H 2.621 0.030 2 885 89 89 GLN HG3 H 2.526 0.030 2 886 89 89 GLN C C 177.955 0.300 1 887 89 89 GLN CA C 58.714 0.300 1 888 89 89 GLN CB C 28.160 0.300 1 889 89 89 GLN CG C 34.479 0.300 1 890 89 89 GLN N N 121.097 0.300 1 891 89 89 GLN NE2 N 110.938 0.300 1 892 90 90 ALA H H 7.558 0.030 1 893 90 90 ALA HA H 4.123 0.030 1 894 90 90 ALA HB H 1.515 0.030 1 895 90 90 ALA C C 178.076 0.300 1 896 90 90 ALA CA C 52.942 0.300 1 897 90 90 ALA CB C 18.015 0.300 1 898 90 90 ALA N N 119.652 0.300 1 899 91 91 ARG H H 7.768 0.030 1 900 91 91 ARG HA H 4.065 0.030 1 901 91 91 ARG HB2 H 1.791 0.030 2 902 91 91 ARG HB3 H 1.682 0.030 2 903 91 91 ARG HD2 H 3.277 0.030 2 904 91 91 ARG HD3 H 3.191 0.030 2 905 91 91 ARG HG2 H 1.518 0.030 2 906 91 91 ARG C C 177.858 0.300 1 907 91 91 ARG CA C 58.573 0.300 1 908 91 91 ARG CB C 30.384 0.300 1 909 91 91 ARG CD C 43.850 0.300 1 910 91 91 ARG CG C 28.150 0.300 1 911 91 91 ARG N N 118.081 0.300 1 912 92 92 GLU H H 7.691 0.030 1 913 92 92 GLU HA H 4.123 0.030 1 914 92 92 GLU HB2 H 2.221 0.030 2 915 92 92 GLU HB3 H 2.126 0.030 2 916 92 92 GLU HG2 H 2.441 0.030 2 917 92 92 GLU HG3 H 2.273 0.030 2 918 92 92 GLU C C 174.459 0.300 1 919 92 92 GLU CA C 61.565 0.300 1 920 92 92 GLU CB C 27.583 0.300 1 921 92 92 GLU CG C 36.505 0.300 1 922 92 92 GLU N N 118.447 0.300 1 923 93 93 PRO HA H 4.716 0.030 1 924 93 93 PRO HB2 H 2.532 0.030 2 925 93 93 PRO HB3 H 2.146 0.030 2 926 93 93 PRO HD2 H 3.846 0.030 2 927 93 93 PRO HD3 H 3.480 0.030 2 928 93 93 PRO HG2 H 1.996 0.030 1 929 93 93 PRO HG3 H 1.996 0.030 1 930 93 93 PRO C C 176.221 0.300 1 931 93 93 PRO CA C 63.149 0.300 1 932 93 93 PRO CB C 32.571 0.300 1 933 93 93 PRO CD C 49.953 0.300 1 934 93 93 PRO CG C 27.794 0.300 1 935 94 94 ARG H H 8.434 0.030 1 936 94 94 ARG HA H 4.232 0.030 1 937 94 94 ARG HB2 H 2.264 0.030 2 938 94 94 ARG HB3 H 1.769 0.030 2 939 94 94 ARG HD2 H 3.341 0.030 2 940 94 94 ARG HG2 H 1.827 0.030 2 941 94 94 ARG HG3 H 1.740 0.030 2 942 94 94 ARG C C 175.323 0.300 1 943 94 94 ARG CA C 56.972 0.300 1 944 94 94 ARG CB C 30.448 0.300 1 945 94 94 ARG CD C 43.528 0.300 1 946 94 94 ARG CG C 28.288 0.300 1 947 94 94 ARG N N 115.987 0.300 1 948 95 95 GLN H H 7.246 0.030 1 949 95 95 GLN HA H 5.251 0.030 1 950 95 95 GLN HB2 H 1.927 0.030 2 951 95 95 GLN HB3 H 1.821 0.030 2 952 95 95 GLN HE21 H 7.238 0.030 2 953 95 95 GLN HE22 H 6.802 0.030 2 954 95 95 GLN HG2 H 2.000 0.030 1 955 95 95 GLN HG3 H 2.000 0.030 1 956 95 95 GLN C C 174.786 0.300 1 957 95 95 GLN CA C 54.209 0.300 1 958 95 95 GLN CB C 32.384 0.300 1 959 95 95 GLN CG C 34.301 0.300 1 960 95 95 GLN N N 115.998 0.300 1 961 95 95 GLN NE2 N 110.938 0.300 1 962 96 96 ALA H H 8.739 0.030 1 963 96 96 ALA HA H 5.412 0.030 1 964 96 96 ALA HB H 1.303 0.030 1 965 96 96 ALA C C 175.258 0.300 1 966 96 96 ALA CA C 50.355 0.300 1 967 96 96 ALA CB C 24.270 0.300 1 968 96 96 ALA N N 126.197 0.300 1 969 97 97 VAL H H 8.568 0.030 1 970 97 97 VAL HA H 4.804 0.030 1 971 97 97 VAL HB H 1.896 0.030 1 972 97 97 VAL HG1 H 0.721 0.030 1 973 97 97 VAL HG2 H 0.853 0.030 1 974 97 97 VAL C C 175.982 0.300 1 975 97 97 VAL CA C 61.442 0.300 1 976 97 97 VAL CB C 33.413 0.300 1 977 97 97 VAL CG1 C 21.000 0.300 2 978 97 97 VAL CG2 C 20.617 0.300 2 979 97 97 VAL N N 120.702 0.300 1 980 98 98 ILE H H 9.753 0.030 1 981 98 98 ILE HA H 4.826 0.030 1 982 98 98 ILE HB H 1.881 0.030 1 983 98 98 ILE HD1 H 0.918 0.030 1 984 98 98 ILE HG12 H 1.395 0.030 2 985 98 98 ILE HG13 H 1.310 0.030 2 986 98 98 ILE HG2 H 0.877 0.030 1 987 98 98 ILE C C 174.292 0.300 1 988 98 98 ILE CA C 59.981 0.300 1 989 98 98 ILE CB C 40.608 0.300 1 990 98 98 ILE CD1 C 15.477 0.300 1 991 98 98 ILE CG1 C 28.584 0.300 1 992 98 98 ILE CG2 C 19.598 0.300 1 993 98 98 ILE N N 131.738 0.300 1 994 99 99 VAL H H 8.493 0.030 1 995 99 99 VAL HA H 5.201 0.030 1 996 99 99 VAL HB H 2.131 0.030 1 997 99 99 VAL HG1 H 0.919 0.030 1 998 99 99 VAL HG2 H 0.847 0.030 1 999 99 99 VAL C C 176.557 0.300 1 1000 99 99 VAL CA C 61.495 0.300 1 1001 99 99 VAL CB C 32.327 0.300 1 1002 99 99 VAL CG1 C 22.301 0.300 2 1003 99 99 VAL CG2 C 21.427 0.300 2 1004 99 99 VAL N N 129.537 0.300 1 1005 100 100 THR H H 9.050 0.030 1 1006 100 100 THR HA H 5.606 0.030 1 1007 100 100 THR HB H 4.085 0.030 1 1008 100 100 THR HG2 H 1.061 0.030 1 1009 100 100 THR C C 172.815 0.300 1 1010 100 100 THR CA C 59.049 0.300 1 1011 100 100 THR CB C 73.966 0.300 1 1012 100 100 THR CG2 C 22.051 0.300 1 1013 100 100 THR N N 117.469 0.300 1 1014 101 101 ARG H H 8.773 0.030 1 1015 101 101 ARG HA H 4.989 0.030 1 1016 101 101 ARG HB2 H 1.771 0.030 2 1017 101 101 ARG HB3 H 1.571 0.030 2 1018 101 101 ARG HD2 H 3.168 0.030 2 1019 101 101 ARG HD3 H 3.084 0.030 2 1020 101 101 ARG HE H 7.274 0.030 1 1021 101 101 ARG HG2 H 1.530 0.030 2 1022 101 101 ARG HG3 H 1.464 0.030 2 1023 101 101 ARG C C 174.738 0.300 1 1024 101 101 ARG CA C 54.825 0.300 1 1025 101 101 ARG CB C 34.636 0.300 1 1026 101 101 ARG CD C 43.940 0.300 1 1027 101 101 ARG CG C 26.909 0.300 1 1028 101 101 ARG N N 117.532 0.300 1 1029 101 101 ARG NE N 83.412 0.300 1 1030 102 102 LYS H H 8.616 0.030 1 1031 102 102 LYS HA H 4.232 0.030 1 1032 102 102 LYS HB2 H 1.799 0.030 2 1033 102 102 LYS HB3 H 1.726 0.030 2 1034 102 102 LYS HD2 H 1.647 0.030 2 1035 102 102 LYS HE2 H 2.917 0.030 1 1036 102 102 LYS HE3 H 2.917 0.030 1 1037 102 102 LYS HG2 H 1.441 0.030 2 1038 102 102 LYS HG3 H 1.368 0.030 2 1039 102 102 LYS C C 175.935 0.300 1 1040 102 102 LYS CA C 56.549 0.300 1 1041 102 102 LYS CB C 33.266 0.300 1 1042 102 102 LYS CD C 29.359 0.300 1 1043 102 102 LYS CE C 42.167 0.300 1 1044 102 102 LYS CG C 24.828 0.300 1 1045 102 102 LYS N N 126.899 0.300 1 1046 103 103 LEU H H 8.424 0.030 1 1047 103 103 LEU HA H 4.540 0.030 1 1048 103 103 LEU HB2 H 1.720 0.030 2 1049 103 103 LEU HB3 H 1.599 0.030 2 1050 103 103 LEU HD1 H 0.944 0.030 1 1051 103 103 LEU HD2 H 0.897 0.030 1 1052 103 103 LEU HG H 1.697 0.030 1 1053 103 103 LEU C C 176.956 0.300 1 1054 103 103 LEU CA C 54.755 0.300 1 1055 103 103 LEU CB C 42.929 0.300 1 1056 103 103 LEU CD1 C 25.075 0.300 2 1057 103 103 LEU CD2 C 23.510 0.300 2 1058 103 103 LEU CG C 27.382 0.300 1 1059 103 103 LEU N N 126.246 0.300 1 1060 104 104 THR H H 8.201 0.030 1 1061 104 104 THR HA H 4.624 0.030 1 1062 104 104 THR HB H 4.206 0.030 1 1063 104 104 THR HG2 H 1.238 0.030 1 1064 104 104 THR C C 172.954 0.300 1 1065 104 104 THR CA C 59.483 0.300 1 1066 104 104 THR CB C 69.761 0.300 1 1067 104 104 THR CG2 C 21.610 0.300 1 1068 104 104 THR N N 117.263 0.300 1 1069 105 105 PRO HA H 4.399 0.030 1 1070 105 105 PRO HB2 H 2.298 0.030 2 1071 105 105 PRO HB3 H 1.911 0.030 2 1072 105 105 PRO HD2 H 3.823 0.030 2 1073 105 105 PRO HD3 H 3.736 0.030 2 1074 105 105 PRO HG2 H 2.042 0.030 2 1075 105 105 PRO CA C 63.495 0.300 1 1076 105 105 PRO CB C 32.096 0.300 1 1077 105 105 PRO CD C 51.028 0.300 1 1078 105 105 PRO CG C 27.246 0.300 1 1079 106 106 GLU H H 8.519 0.030 1 1080 106 106 GLU HA H 4.197 0.030 1 1081 106 106 GLU HB2 H 1.974 0.030 2 1082 106 106 GLU HG2 H 2.283 0.030 2 1083 106 106 GLU C C 176.110 0.300 1 1084 106 106 GLU CA C 56.743 0.300 1 1085 106 106 GLU CB C 30.137 0.300 1 1086 106 106 GLU CG C 36.205 0.300 1 1087 106 106 GLU N N 120.609 0.300 1 1088 107 107 ALA H H 8.241 0.030 1 1089 107 107 ALA HA H 4.317 0.030 1 1090 107 107 ALA HB H 1.375 0.030 1 1091 107 107 ALA C C 177.299 0.300 1 1092 107 107 ALA CA C 52.203 0.300 1 1093 107 107 ALA CB C 19.392 0.300 1 1094 107 107 ALA N N 124.849 0.300 1 1095 108 108 MET H H 8.284 0.030 1 1096 108 108 MET HA H 4.792 0.030 1 1097 108 108 MET HB2 H 2.099 0.030 2 1098 108 108 MET HB3 H 1.960 0.030 2 1099 108 108 MET HE H 2.114 0.030 1 1100 108 108 MET HG2 H 2.671 0.030 2 1101 108 108 MET HG3 H 2.578 0.030 2 1102 108 108 MET C C 174.337 0.300 1 1103 108 108 MET CA C 53.258 0.300 1 1104 108 108 MET CB C 32.608 0.300 1 1105 108 108 MET CE C 17.187 0.300 1 1106 108 108 MET CG C 38.102 0.300 1 1107 108 108 MET N N 121.025 0.300 1 1108 109 109 PRO HA H 4.408 0.030 1 1109 109 109 PRO HB2 H 2.275 0.030 2 1110 109 109 PRO HB3 H 1.868 0.030 2 1111 109 109 PRO HD2 H 3.803 0.030 2 1112 109 109 PRO HD3 H 3.693 0.030 2 1113 109 109 PRO HG2 H 2.000 0.030 2 1114 109 109 PRO C C 176.412 0.300 1 1115 109 109 PRO CA C 63.290 0.300 1 1116 109 109 PRO CB C 32.077 0.300 1 1117 109 109 PRO CD C 50.695 0.300 1 1118 109 109 PRO CG C 27.382 0.300 1 1119 110 110 ASP H H 8.417 0.030 1 1120 110 110 ASP HA H 4.573 0.030 1 1121 110 110 ASP HB2 H 2.736 0.030 2 1122 110 110 ASP HB3 H 2.593 0.030 2 1123 110 110 ASP C C 176.508 0.300 1 1124 110 110 ASP CA C 54.085 0.300 1 1125 110 110 ASP CB C 41.075 0.300 1 1126 110 110 ASP N N 120.239 0.300 1 1127 111 111 LEU H H 8.279 0.030 1 1128 111 111 LEU HA H 4.319 0.030 1 1129 111 111 LEU HB2 H 1.642 0.030 2 1130 111 111 LEU HB3 H 1.585 0.030 2 1131 111 111 LEU HD1 H 0.901 0.030 1 1132 111 111 LEU HD2 H 0.839 0.030 1 1133 111 111 LEU HG H 1.627 0.030 1 1134 111 111 LEU C C 177.551 0.300 1 1135 111 111 LEU CA C 55.581 0.300 1 1136 111 111 LEU CB C 42.360 0.300 1 1137 111 111 LEU CD1 C 25.109 0.300 2 1138 111 111 LEU CD2 C 23.371 0.300 2 1139 111 111 LEU CG C 27.052 0.300 1 1140 111 111 LEU N N 123.318 0.300 1 1141 112 112 ASN H H 8.487 0.030 1 1142 112 112 ASN HA H 4.725 0.030 1 1143 112 112 ASN HB2 H 2.860 0.030 2 1144 112 112 ASN HB3 H 2.767 0.030 2 1145 112 112 ASN HD21 H 7.622 0.030 2 1146 112 112 ASN HD22 H 6.942 0.030 2 1147 112 112 ASN C C 175.454 0.300 1 1148 112 112 ASN CA C 53.610 0.300 1 1149 112 112 ASN CB C 39.116 0.300 1 1150 112 112 ASN N N 118.752 0.300 1 1151 112 112 ASN ND2 N 112.800 0.300 1 1152 115 115 GLY H H 8.205 0.030 1 1153 115 115 GLY HA2 H 4.126 0.030 1 1154 115 115 GLY HA3 H 4.126 0.030 1 1155 115 115 GLY CA C 44.727 0.300 1 1156 116 116 PRO HA H 4.485 0.030 1 1157 116 116 PRO HB2 H 2.297 0.030 2 1158 116 116 PRO HB3 H 1.978 0.030 2 1159 116 116 PRO HD2 H 3.633 0.030 1 1160 116 116 PRO HD3 H 3.633 0.030 1 1161 116 116 PRO HG2 H 2.011 0.030 1 1162 116 116 PRO HG3 H 2.011 0.030 1 1163 116 116 PRO CA C 63.298 0.300 1 1164 116 116 PRO CB C 32.077 0.300 1 1165 116 116 PRO CD C 49.840 0.300 1 1166 116 116 PRO CG C 27.135 0.300 1 1167 117 117 SER H H 8.532 0.030 1 1168 117 117 SER N N 116.464 0.300 1 stop_ save_