data_11137 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the 14th KH type I domain from human Vigilin ; _BMRB_accession_number 11137 _BMRB_flat_file_name bmr11137.str _Entry_type original _Submission_date 2010-03-31 _Accession_date 2010-03-31 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tomizawa T. . . 2 Kigawa T. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 517 "13C chemical shifts" 391 "15N chemical shifts" 86 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-04-01 original author . stop_ _Original_release_date 2011-04-01 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the 14th KH type I domain from human Vigilin' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tomizawa T. . . 2 Kigawa T. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Vigilin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'KH 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 'KH domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 95 _Mol_residue_sequence ; GSSGSSGRIVGELEQMVSED VPLDHRVHARIIGARGKAIR KIMDEFKVDIRFPQSGAPDP NCVTVTGLPENVEEAIDHIL NLEEEYLADSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ARG 9 ILE 10 VAL 11 GLY 12 GLU 13 LEU 14 GLU 15 GLN 16 MET 17 VAL 18 SER 19 GLU 20 ASP 21 VAL 22 PRO 23 LEU 24 ASP 25 HIS 26 ARG 27 VAL 28 HIS 29 ALA 30 ARG 31 ILE 32 ILE 33 GLY 34 ALA 35 ARG 36 GLY 37 LYS 38 ALA 39 ILE 40 ARG 41 LYS 42 ILE 43 MET 44 ASP 45 GLU 46 PHE 47 LYS 48 VAL 49 ASP 50 ILE 51 ARG 52 PHE 53 PRO 54 GLN 55 SER 56 GLY 57 ALA 58 PRO 59 ASP 60 PRO 61 ASN 62 CYS 63 VAL 64 THR 65 VAL 66 THR 67 GLY 68 LEU 69 PRO 70 GLU 71 ASN 72 VAL 73 GLU 74 GLU 75 ALA 76 ILE 77 ASP 78 HIS 79 ILE 80 LEU 81 ASN 82 LEU 83 GLU 84 GLU 85 GLU 86 TYR 87 LEU 88 ALA 89 ASP 90 SER 91 GLY 92 PRO 93 SER 94 SER 95 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 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 2CTM "Solution Structure Of The 14th Kh Type I Domain From Human Vigilin" 100.00 95 100.00 100.00 5.64e-61 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_name $entity_1 'cell free synthesis' . Escherichia coli . P050131-16 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.33mM KH domain U-15N, {13C;} 20mM d-Tris-HCl(pH {7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.33 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20030801 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRview _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_Kujira _Saveframe_category software _Name Kujira _Version 0.9295 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-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 C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 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_ _Software_label $XWINNMR $NMRPipe $NMRview $Kujira $CYANA stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-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 'KH domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 GLY HA2 H 3.791 0.030 1 2 1 1 GLY HA3 H 3.791 0.030 1 3 1 1 GLY CA C 41.347 0.300 1 4 4 4 GLY HA2 H 3.943 0.030 1 5 4 4 GLY HA3 H 3.943 0.030 1 6 4 4 GLY CA C 43.093 0.300 1 7 6 6 SER HA H 4.412 0.030 1 8 6 6 SER HB2 H 3.840 0.030 1 9 6 6 SER HB3 H 3.840 0.030 1 10 6 6 SER CA C 56.473 0.300 1 11 6 6 SER CB C 61.499 0.300 1 12 7 7 GLY H H 8.255 0.030 1 13 7 7 GLY HA2 H 3.881 0.030 1 14 7 7 GLY HA3 H 3.881 0.030 1 15 7 7 GLY C C 171.441 0.300 1 16 7 7 GLY CA C 42.861 0.300 1 17 7 7 GLY N N 110.223 0.300 1 18 8 8 ARG H H 8.012 0.030 1 19 8 8 ARG HA H 4.303 0.030 1 20 8 8 ARG HB2 H 1.592 0.030 1 21 8 8 ARG HB3 H 1.592 0.030 1 22 8 8 ARG HD2 H 3.097 0.030 1 23 8 8 ARG HD3 H 3.097 0.030 1 24 8 8 ARG HG2 H 1.494 0.030 2 25 8 8 ARG HG3 H 1.550 0.030 2 26 8 8 ARG C C 173.800 0.300 1 27 8 8 ARG CA C 53.866 0.300 1 28 8 8 ARG CB C 29.082 0.300 1 29 8 8 ARG CD C 41.018 0.300 1 30 8 8 ARG CG C 25.387 0.300 1 31 8 8 ARG N N 120.522 0.300 1 32 9 9 ILE H H 8.328 0.030 1 33 9 9 ILE HA H 4.225 0.030 1 34 9 9 ILE HB H 1.777 0.030 1 35 9 9 ILE HD1 H 0.762 0.030 1 36 9 9 ILE HG12 H 1.348 0.030 2 37 9 9 ILE HG13 H 1.061 0.030 2 38 9 9 ILE HG2 H 0.811 0.030 1 39 9 9 ILE C C 173.270 0.300 1 40 9 9 ILE CA C 58.054 0.300 1 41 9 9 ILE CB C 36.993 0.300 1 42 9 9 ILE CD1 C 10.688 0.300 1 43 9 9 ILE CG1 C 24.415 0.300 1 44 9 9 ILE CG2 C 15.346 0.300 1 45 9 9 ILE N N 121.542 0.300 1 46 10 10 VAL H H 8.121 0.030 1 47 10 10 VAL HA H 3.900 0.030 1 48 10 10 VAL HB H 1.934 0.030 1 49 10 10 VAL HG1 H 0.895 0.030 1 50 10 10 VAL HG2 H 0.895 0.030 1 51 10 10 VAL C C 174.270 0.300 1 52 10 10 VAL CA C 61.462 0.300 1 53 10 10 VAL CB C 30.304 0.300 1 54 10 10 VAL CG1 C 18.731 0.300 1 55 10 10 VAL CG2 C 18.731 0.300 1 56 10 10 VAL N N 122.865 0.300 1 57 11 11 GLY H H 8.076 0.030 1 58 11 11 GLY HA2 H 4.051 0.030 2 59 11 11 GLY HA3 H 3.791 0.030 2 60 11 11 GLY C C 171.385 0.300 1 61 11 11 GLY CA C 42.105 0.300 1 62 11 11 GLY N N 108.572 0.300 1 63 12 12 GLU H H 8.054 0.030 1 64 12 12 GLU HA H 4.280 0.030 1 65 12 12 GLU HB2 H 2.086 0.030 2 66 12 12 GLU HB3 H 1.763 0.030 2 67 12 12 GLU HG2 H 2.238 0.030 2 68 12 12 GLU HG3 H 2.172 0.030 2 69 12 12 GLU C C 175.144 0.300 1 70 12 12 GLU CA C 53.554 0.300 1 71 12 12 GLU CB C 28.119 0.300 1 72 12 12 GLU CG C 33.780 0.300 1 73 12 12 GLU N N 118.513 0.300 1 74 13 13 LEU H H 8.401 0.030 1 75 13 13 LEU HA H 4.125 0.030 1 76 13 13 LEU HB2 H 1.612 0.030 2 77 13 13 LEU HB3 H 1.513 0.030 2 78 13 13 LEU HD1 H 0.854 0.030 1 79 13 13 LEU HD2 H 0.808 0.030 1 80 13 13 LEU HG H 1.585 0.030 1 81 13 13 LEU C C 176.553 0.300 1 82 13 13 LEU CA C 54.664 0.300 1 83 13 13 LEU CB C 39.776 0.300 1 84 13 13 LEU CD1 C 22.472 0.300 2 85 13 13 LEU CD2 C 21.443 0.300 2 86 13 13 LEU CG C 24.747 0.300 1 87 13 13 LEU N N 122.423 0.300 1 88 14 14 GLU H H 8.646 0.030 1 89 14 14 GLU HA H 4.111 0.030 1 90 14 14 GLU HB2 H 1.995 0.030 2 91 14 14 GLU HB3 H 1.939 0.030 2 92 14 14 GLU HG2 H 2.219 0.030 1 93 14 14 GLU HG3 H 2.219 0.030 1 94 14 14 GLU C C 174.189 0.300 1 95 14 14 GLU CA C 55.520 0.300 1 96 14 14 GLU CB C 27.208 0.300 1 97 14 14 GLU CG C 34.329 0.300 1 98 14 14 GLU N N 118.001 0.300 1 99 15 15 GLN H H 7.903 0.030 1 100 15 15 GLN HA H 4.292 0.030 1 101 15 15 GLN HB2 H 2.136 0.030 2 102 15 15 GLN HB3 H 1.985 0.030 2 103 15 15 GLN HE21 H 7.518 0.030 2 104 15 15 GLN HE22 H 6.750 0.030 2 105 15 15 GLN HG2 H 2.256 0.030 2 106 15 15 GLN HG3 H 2.298 0.030 2 107 15 15 GLN C C 173.356 0.300 1 108 15 15 GLN CA C 53.190 0.300 1 109 15 15 GLN CB C 27.915 0.300 1 110 15 15 GLN CG C 31.998 0.300 1 111 15 15 GLN N N 117.869 0.300 1 112 15 15 GLN NE2 N 112.015 0.300 1 113 16 16 MET H H 7.648 0.030 1 114 16 16 MET HA H 4.255 0.030 1 115 16 16 MET HB2 H 1.971 0.030 2 116 16 16 MET HB3 H 1.598 0.030 2 117 16 16 MET HE H 1.934 0.030 1 118 16 16 MET HG2 H 2.211 0.030 2 119 16 16 MET HG3 H 2.763 0.030 2 120 16 16 MET C C 173.584 0.300 1 121 16 16 MET CA C 54.075 0.300 1 122 16 16 MET CB C 31.808 0.300 1 123 16 16 MET CE C 15.859 0.300 1 124 16 16 MET CG C 30.927 0.300 1 125 16 16 MET N N 117.511 0.300 1 126 17 17 VAL H H 8.880 0.030 1 127 17 17 VAL HA H 4.606 0.030 1 128 17 17 VAL HB H 2.181 0.030 1 129 17 17 VAL HG1 H 0.912 0.030 1 130 17 17 VAL HG2 H 0.840 0.030 1 131 17 17 VAL C C 171.643 0.300 1 132 17 17 VAL CA C 57.166 0.300 1 133 17 17 VAL CB C 32.956 0.300 1 134 17 17 VAL CG1 C 19.115 0.300 2 135 17 17 VAL CG2 C 16.299 0.300 2 136 17 17 VAL N N 115.939 0.300 1 137 18 18 SER H H 8.117 0.030 1 138 18 18 SER HA H 5.445 0.030 1 139 18 18 SER HB2 H 3.460 0.030 2 140 18 18 SER HB3 H 3.373 0.030 2 141 18 18 SER C C 171.381 0.300 1 142 18 18 SER CA C 54.706 0.300 1 143 18 18 SER CB C 63.239 0.300 1 144 18 18 SER N N 114.491 0.300 1 145 19 19 GLU H H 8.957 0.030 1 146 19 19 GLU HA H 4.527 0.030 1 147 19 19 GLU HB2 H 1.700 0.030 2 148 19 19 GLU HB3 H 1.536 0.030 2 149 19 19 GLU HG2 H 1.947 0.030 2 150 19 19 GLU HG3 H 2.049 0.030 2 151 19 19 GLU C C 171.960 0.300 1 152 19 19 GLU CA C 52.370 0.300 1 153 19 19 GLU CB C 31.163 0.300 1 154 19 19 GLU CG C 33.002 0.300 1 155 19 19 GLU N N 125.202 0.300 1 156 20 20 ASP H H 8.459 0.030 1 157 20 20 ASP HA H 5.273 0.030 1 158 20 20 ASP HB2 H 2.420 0.030 2 159 20 20 ASP HB3 H 2.292 0.030 2 160 20 20 ASP C C 173.827 0.300 1 161 20 20 ASP CA C 50.813 0.300 1 162 20 20 ASP CB C 39.061 0.300 1 163 20 20 ASP N N 124.736 0.300 1 164 21 21 VAL H H 9.261 0.030 1 165 21 21 VAL HA H 4.501 0.030 1 166 21 21 VAL HB H 1.828 0.030 1 167 21 21 VAL HG1 H 0.760 0.030 1 168 21 21 VAL HG2 H 0.766 0.030 1 169 21 21 VAL C C 170.481 0.300 1 170 21 21 VAL CA C 55.872 0.300 1 171 21 21 VAL CB C 32.974 0.300 1 172 21 21 VAL CG1 C 18.107 0.300 2 173 21 21 VAL CG2 C 19.048 0.300 2 174 21 21 VAL N N 124.830 0.300 1 175 22 22 PRO HA H 4.663 0.030 1 176 22 22 PRO HB2 H 2.123 0.030 2 177 22 22 PRO HB3 H 1.870 0.030 2 178 22 22 PRO HD2 H 3.633 0.030 2 179 22 22 PRO HD3 H 3.699 0.030 2 180 22 22 PRO HG2 H 1.890 0.030 2 181 22 22 PRO HG3 H 2.068 0.030 2 182 22 22 PRO C C 173.612 0.300 1 183 22 22 PRO CA C 59.928 0.300 1 184 22 22 PRO CB C 28.937 0.300 1 185 22 22 PRO CD C 48.755 0.300 1 186 22 22 PRO CG C 25.221 0.300 1 187 23 23 LEU H H 7.960 0.030 1 188 23 23 LEU HA H 4.423 0.030 1 189 23 23 LEU HB2 H 1.403 0.030 2 190 23 23 LEU HB3 H 1.186 0.030 2 191 23 23 LEU HD1 H 0.702 0.030 1 192 23 23 LEU HD2 H 0.593 0.030 1 193 23 23 LEU HG H 1.307 0.030 1 194 23 23 LEU C C 173.613 0.300 1 195 23 23 LEU CA C 51.924 0.300 1 196 23 23 LEU CB C 42.381 0.300 1 197 23 23 LEU CD1 C 22.750 0.300 2 198 23 23 LEU CD2 C 23.788 0.300 2 199 23 23 LEU CG C 25.019 0.300 1 200 23 23 LEU N N 124.317 0.300 1 201 24 24 ASP H H 9.560 0.030 1 202 24 24 ASP HA H 4.095 0.030 1 203 24 24 ASP HB2 H 2.573 0.030 2 204 24 24 ASP HB3 H 2.611 0.030 2 205 24 24 ASP C C 175.665 0.300 1 206 24 24 ASP CA C 53.969 0.300 1 207 24 24 ASP CB C 41.090 0.300 1 208 24 24 ASP N N 131.018 0.300 1 209 25 25 HIS H H 9.076 0.030 1 210 25 25 HIS HA H 4.695 0.030 1 211 25 25 HIS HB2 H 2.961 0.030 2 212 25 25 HIS HB3 H 2.877 0.030 2 213 25 25 HIS HD2 H 7.036 0.030 1 214 25 25 HIS HE1 H 7.947 0.030 1 215 25 25 HIS C C 174.519 0.300 1 216 25 25 HIS CA C 56.145 0.300 1 217 25 25 HIS CB C 26.153 0.300 1 218 25 25 HIS CD2 C 120.436 0.300 1 219 25 25 HIS CE1 C 135.448 0.300 1 220 25 25 HIS N N 124.910 0.300 1 221 26 26 ARG H H 8.929 0.030 1 222 26 26 ARG HA H 3.837 0.030 1 223 26 26 ARG HB2 H 1.672 0.030 2 224 26 26 ARG HB3 H 1.541 0.030 2 225 26 26 ARG HD2 H 2.939 0.030 2 226 26 26 ARG HD3 H 3.132 0.030 2 227 26 26 ARG HG2 H 1.512 0.030 2 228 26 26 ARG HG3 H 1.009 0.030 2 229 26 26 ARG C C 176.430 0.300 1 230 26 26 ARG CA C 56.226 0.300 1 231 26 26 ARG CB C 28.069 0.300 1 232 26 26 ARG CD C 41.121 0.300 1 233 26 26 ARG CG C 24.696 0.300 1 234 26 26 ARG N N 119.719 0.300 1 235 27 27 VAL H H 7.940 0.030 1 236 27 27 VAL HA H 4.548 0.030 1 237 27 27 VAL HB H 2.579 0.030 1 238 27 27 VAL HG1 H 0.897 0.030 1 239 27 27 VAL HG2 H 1.145 0.030 1 240 27 27 VAL C C 174.088 0.300 1 241 27 27 VAL CA C 58.338 0.300 1 242 27 27 VAL CB C 30.137 0.300 1 243 27 27 VAL CG1 C 19.587 0.300 2 244 27 27 VAL CG2 C 17.751 0.300 2 245 27 27 VAL N N 108.478 0.300 1 246 28 28 HIS H H 7.520 0.030 1 247 28 28 HIS HA H 4.062 0.030 1 248 28 28 HIS HB2 H 3.087 0.030 2 249 28 28 HIS HB3 H 2.887 0.030 2 250 28 28 HIS HD2 H 6.544 0.030 1 251 28 28 HIS HE1 H 8.080 0.030 1 252 28 28 HIS C C 174.260 0.300 1 253 28 28 HIS CA C 57.455 0.300 1 254 28 28 HIS CB C 29.064 0.300 1 255 28 28 HIS CD2 C 113.654 0.300 1 256 28 28 HIS CE1 C 137.035 0.300 1 257 28 28 HIS N N 121.183 0.300 1 258 29 29 ALA H H 8.688 0.030 1 259 29 29 ALA HA H 3.886 0.030 1 260 29 29 ALA HB H 1.291 0.030 1 261 29 29 ALA C C 178.548 0.300 1 262 29 29 ALA CA C 53.209 0.300 1 263 29 29 ALA CB C 15.074 0.300 1 264 29 29 ALA N N 118.215 0.300 1 265 30 30 ARG H H 7.610 0.030 1 266 30 30 ARG HA H 3.846 0.030 1 267 30 30 ARG HB2 H 1.347 0.030 2 268 30 30 ARG HB3 H 1.150 0.030 2 269 30 30 ARG HD2 H 2.689 0.030 2 270 30 30 ARG HD3 H 2.467 0.030 2 271 30 30 ARG HG2 H 1.418 0.030 2 272 30 30 ARG HG3 H 1.194 0.030 2 273 30 30 ARG C C 175.883 0.300 1 274 30 30 ARG CA C 56.014 0.300 1 275 30 30 ARG CB C 28.085 0.300 1 276 30 30 ARG CD C 41.099 0.300 1 277 30 30 ARG CG C 24.871 0.300 1 278 30 30 ARG N N 118.093 0.300 1 279 31 31 ILE H H 7.692 0.030 1 280 31 31 ILE HA H 3.849 0.030 1 281 31 31 ILE HB H 1.991 0.030 1 282 31 31 ILE HD1 H 0.819 0.030 1 283 31 31 ILE HG12 H 1.237 0.030 2 284 31 31 ILE HG13 H 1.895 0.030 2 285 31 31 ILE HG2 H 0.875 0.030 1 286 31 31 ILE C C 173.581 0.300 1 287 31 31 ILE CA C 61.925 0.300 1 288 31 31 ILE CB C 35.237 0.300 1 289 31 31 ILE CD1 C 12.011 0.300 1 290 31 31 ILE CG1 C 27.384 0.300 1 291 31 31 ILE CG2 C 14.700 0.300 1 292 31 31 ILE N N 119.585 0.300 1 293 32 32 ILE H H 7.938 0.030 1 294 32 32 ILE HA H 3.505 0.030 1 295 32 32 ILE HB H 1.498 0.030 1 296 32 32 ILE HD1 H 0.039 0.030 1 297 32 32 ILE HG12 H 0.298 0.030 2 298 32 32 ILE HG13 H 1.099 0.030 2 299 32 32 ILE HG2 H 0.883 0.030 1 300 32 32 ILE C C 176.390 0.300 1 301 32 32 ILE CA C 62.890 0.300 1 302 32 32 ILE CB C 36.953 0.300 1 303 32 32 ILE CD1 C 10.667 0.300 1 304 32 32 ILE CG1 C 27.884 0.300 1 305 32 32 ILE CG2 C 15.293 0.300 1 306 32 32 ILE N N 117.734 0.300 1 307 33 33 GLY H H 7.603 0.030 1 308 33 33 GLY HA2 H 4.121 0.030 2 309 33 33 GLY HA3 H 3.743 0.030 2 310 33 33 GLY C C 172.180 0.300 1 311 33 33 GLY CA C 41.677 0.300 1 312 33 33 GLY N N 103.916 0.300 1 313 34 34 ALA H H 8.482 0.030 1 314 34 34 ALA HA H 4.156 0.030 1 315 34 34 ALA HB H 1.340 0.030 1 316 34 34 ALA CA C 51.537 0.300 1 317 34 34 ALA CB C 15.802 0.300 1 318 34 34 ALA N N 124.270 0.300 1 319 35 35 ARG HA H 4.004 0.030 1 320 35 35 ARG HB2 H 2.041 0.030 2 321 35 35 ARG HB3 H 1.849 0.030 2 322 35 35 ARG HD2 H 3.137 0.030 1 323 35 35 ARG HD3 H 3.137 0.030 1 324 35 35 ARG HG2 H 1.569 0.030 1 325 35 35 ARG HG3 H 1.569 0.030 1 326 35 35 ARG C C 174.118 0.300 1 327 35 35 ARG CA C 54.309 0.300 1 328 35 35 ARG CB C 26.160 0.300 1 329 35 35 ARG CD C 40.999 0.300 1 330 35 35 ARG CG C 25.430 0.300 1 331 36 36 GLY H H 7.887 0.030 1 332 36 36 GLY HA2 H 3.928 0.030 2 333 36 36 GLY HA3 H 3.806 0.030 2 334 36 36 GLY C C 173.807 0.300 1 335 36 36 GLY CA C 43.887 0.300 1 336 36 36 GLY N N 105.812 0.300 1 337 37 37 LYS H H 7.866 0.030 1 338 37 37 LYS HA H 3.921 0.030 1 339 37 37 LYS HB2 H 1.809 0.030 2 340 37 37 LYS HB3 H 1.930 0.030 2 341 37 37 LYS HD2 H 1.649 0.030 1 342 37 37 LYS HD3 H 1.649 0.030 1 343 37 37 LYS HE2 H 2.927 0.030 1 344 37 37 LYS HE3 H 2.927 0.030 1 345 37 37 LYS HG2 H 1.431 0.030 2 346 37 37 LYS HG3 H 1.468 0.030 2 347 37 37 LYS C C 176.319 0.300 1 348 37 37 LYS CA C 56.928 0.300 1 349 37 37 LYS CB C 30.167 0.300 1 350 37 37 LYS CD C 26.889 0.300 1 351 37 37 LYS CE C 39.752 0.300 1 352 37 37 LYS CG C 22.818 0.300 1 353 37 37 LYS N N 118.433 0.300 1 354 38 38 ALA H H 7.779 0.030 1 355 38 38 ALA HA H 4.280 0.030 1 356 38 38 ALA HB H 1.410 0.030 1 357 38 38 ALA C C 178.879 0.300 1 358 38 38 ALA CA C 52.928 0.300 1 359 38 38 ALA CB C 15.533 0.300 1 360 38 38 ALA N N 122.195 0.300 1 361 39 39 ILE H H 8.072 0.030 1 362 39 39 ILE HA H 4.302 0.030 1 363 39 39 ILE HB H 2.143 0.030 1 364 39 39 ILE HD1 H 0.983 0.030 1 365 39 39 ILE HG12 H 1.540 0.030 1 366 39 39 ILE HG13 H 1.540 0.030 1 367 39 39 ILE HG2 H 1.113 0.030 1 368 39 39 ILE C C 174.959 0.300 1 369 39 39 ILE CA C 58.449 0.300 1 370 39 39 ILE CB C 35.975 0.300 1 371 39 39 ILE CD1 C 12.578 0.300 1 372 39 39 ILE CG1 C 26.677 0.300 1 373 39 39 ILE CG2 C 16.801 0.300 1 374 39 39 ILE N N 118.922 0.300 1 375 40 40 ARG H H 7.655 0.030 1 376 40 40 ARG HA H 4.090 0.030 1 377 40 40 ARG HB2 H 1.950 0.030 1 378 40 40 ARG HB3 H 1.950 0.030 1 379 40 40 ARG HD2 H 3.197 0.030 2 380 40 40 ARG HD3 H 3.299 0.030 2 381 40 40 ARG HG2 H 1.737 0.030 1 382 40 40 ARG HG3 H 1.737 0.030 1 383 40 40 ARG C C 175.399 0.300 1 384 40 40 ARG CA C 56.860 0.300 1 385 40 40 ARG CB C 27.728 0.300 1 386 40 40 ARG CD C 40.974 0.300 1 387 40 40 ARG CG C 24.500 0.300 1 388 40 40 ARG N N 123.786 0.300 1 389 41 41 LYS H H 7.397 0.030 1 390 41 41 LYS HA H 4.152 0.030 1 391 41 41 LYS HB2 H 1.950 0.030 2 392 41 41 LYS HB3 H 2.027 0.030 2 393 41 41 LYS HD2 H 1.686 0.030 1 394 41 41 LYS HD3 H 1.686 0.030 1 395 41 41 LYS HE2 H 2.945 0.030 1 396 41 41 LYS HE3 H 2.945 0.030 1 397 41 41 LYS HG2 H 1.421 0.030 2 398 41 41 LYS HG3 H 1.555 0.030 2 399 41 41 LYS C C 176.880 0.300 1 400 41 41 LYS CA C 57.317 0.300 1 401 41 41 LYS CB C 30.072 0.300 1 402 41 41 LYS CD C 27.137 0.300 1 403 41 41 LYS CE C 39.827 0.300 1 404 41 41 LYS CG C 22.604 0.300 1 405 41 41 LYS N N 118.417 0.300 1 406 42 42 ILE H H 7.390 0.030 1 407 42 42 ILE HA H 3.784 0.030 1 408 42 42 ILE HB H 1.969 0.030 1 409 42 42 ILE HD1 H 0.924 0.030 1 410 42 42 ILE HG12 H 1.116 0.030 2 411 42 42 ILE HG13 H 2.005 0.030 2 412 42 42 ILE HG2 H 0.833 0.030 1 413 42 42 ILE C C 175.586 0.300 1 414 42 42 ILE CA C 63.271 0.300 1 415 42 42 ILE CB C 36.336 0.300 1 416 42 42 ILE CD1 C 11.627 0.300 1 417 42 42 ILE CG1 C 27.316 0.300 1 418 42 42 ILE CG2 C 14.897 0.300 1 419 42 42 ILE N N 119.488 0.300 1 420 43 43 MET H H 8.416 0.030 1 421 43 43 MET HA H 3.922 0.030 1 422 43 43 MET HB2 H 2.291 0.030 2 423 43 43 MET HB3 H 2.389 0.030 2 424 43 43 MET HE H 2.235 0.030 1 425 43 43 MET HG2 H 2.708 0.030 2 426 43 43 MET HG3 H 2.499 0.030 2 427 43 43 MET C C 176.841 0.300 1 428 43 43 MET CA C 58.716 0.300 1 429 43 43 MET CB C 32.038 0.300 1 430 43 43 MET CE C 14.993 0.300 1 431 43 43 MET CG C 30.602 0.300 1 432 43 43 MET N N 118.092 0.300 1 433 44 44 ASP H H 8.316 0.030 1 434 44 44 ASP HA H 4.406 0.030 1 435 44 44 ASP HB2 H 2.733 0.030 2 436 44 44 ASP HB3 H 2.604 0.030 2 437 44 44 ASP C C 175.745 0.300 1 438 44 44 ASP CA C 54.552 0.300 1 439 44 44 ASP CB C 38.550 0.300 1 440 44 44 ASP N N 117.315 0.300 1 441 45 45 GLU H H 8.083 0.030 1 442 45 45 GLU HA H 3.756 0.030 1 443 45 45 GLU HB2 H 1.794 0.030 2 444 45 45 GLU HB3 H 1.380 0.030 2 445 45 45 GLU HG2 H 1.577 0.030 2 446 45 45 GLU HG3 H 1.258 0.030 2 447 45 45 GLU C C 175.988 0.300 1 448 45 45 GLU CA C 56.701 0.300 1 449 45 45 GLU CB C 27.116 0.300 1 450 45 45 GLU CG C 32.901 0.300 1 451 45 45 GLU N N 119.478 0.300 1 452 46 46 PHE H H 7.853 0.030 1 453 46 46 PHE HA H 4.283 0.030 1 454 46 46 PHE HB2 H 3.255 0.030 2 455 46 46 PHE HB3 H 2.545 0.030 2 456 46 46 PHE HD1 H 7.275 0.030 1 457 46 46 PHE HD2 H 7.275 0.030 1 458 46 46 PHE HE1 H 6.813 0.030 1 459 46 46 PHE HE2 H 6.813 0.030 1 460 46 46 PHE HZ H 6.784 0.030 1 461 46 46 PHE C C 170.628 0.300 1 462 46 46 PHE CA C 56.613 0.300 1 463 46 46 PHE CB C 37.933 0.300 1 464 46 46 PHE CD1 C 129.014 0.300 1 465 46 46 PHE CD2 C 129.014 0.300 1 466 46 46 PHE CE1 C 127.444 0.300 1 467 46 46 PHE CE2 C 127.444 0.300 1 468 46 46 PHE CZ C 128.363 0.300 1 469 46 46 PHE N N 112.703 0.300 1 470 47 47 LYS H H 7.599 0.030 1 471 47 47 LYS HA H 3.980 0.030 1 472 47 47 LYS HB2 H 2.169 0.030 2 473 47 47 LYS HB3 H 1.667 0.030 2 474 47 47 LYS HD2 H 1.426 0.030 2 475 47 47 LYS HD3 H 1.606 0.030 2 476 47 47 LYS HE2 H 2.854 0.030 2 477 47 47 LYS HE3 H 2.907 0.030 2 478 47 47 LYS HG2 H 1.124 0.030 1 479 47 47 LYS HG3 H 1.124 0.030 1 480 47 47 LYS C C 174.059 0.300 1 481 47 47 LYS CA C 53.680 0.300 1 482 47 47 LYS CB C 25.663 0.300 1 483 47 47 LYS CD C 26.384 0.300 1 484 47 47 LYS CE C 40.348 0.300 1 485 47 47 LYS CG C 22.390 0.300 1 486 47 47 LYS N N 113.925 0.300 1 487 48 48 VAL H H 7.533 0.030 1 488 48 48 VAL HA H 5.080 0.030 1 489 48 48 VAL HB H 1.938 0.030 1 490 48 48 VAL HG1 H 0.597 0.030 1 491 48 48 VAL HG2 H 0.498 0.030 1 492 48 48 VAL C C 172.381 0.300 1 493 48 48 VAL CA C 55.509 0.300 1 494 48 48 VAL CB C 33.041 0.300 1 495 48 48 VAL CG1 C 19.409 0.300 2 496 48 48 VAL CG2 C 16.012 0.300 2 497 48 48 VAL N N 106.953 0.300 1 498 49 49 ASP H H 8.772 0.030 1 499 49 49 ASP HA H 4.983 0.030 1 500 49 49 ASP HB2 H 2.468 0.030 1 501 49 49 ASP HB3 H 2.468 0.030 1 502 49 49 ASP C C 173.433 0.300 1 503 49 49 ASP CA C 50.814 0.300 1 504 49 49 ASP CB C 41.938 0.300 1 505 49 49 ASP N N 119.721 0.300 1 506 50 50 ILE H H 7.548 0.030 1 507 50 50 ILE HA H 4.785 0.030 1 508 50 50 ILE HB H 1.478 0.030 1 509 50 50 ILE HD1 H 0.635 0.030 1 510 50 50 ILE HG12 H 1.387 0.030 2 511 50 50 ILE HG13 H 0.773 0.030 2 512 50 50 ILE HG2 H 0.306 0.030 1 513 50 50 ILE C C 171.337 0.300 1 514 50 50 ILE CA C 58.226 0.300 1 515 50 50 ILE CB C 37.974 0.300 1 516 50 50 ILE CD1 C 11.644 0.300 1 517 50 50 ILE CG1 C 26.093 0.300 1 518 50 50 ILE CG2 C 15.186 0.300 1 519 50 50 ILE N N 123.678 0.300 1 520 51 51 ARG H H 8.750 0.030 1 521 51 51 ARG HA H 4.686 0.030 1 522 51 51 ARG HB2 H 1.678 0.030 2 523 51 51 ARG HB3 H 1.550 0.030 2 524 51 51 ARG HD2 H 3.121 0.030 1 525 51 51 ARG HD3 H 3.121 0.030 1 526 51 51 ARG HG2 H 1.450 0.030 2 527 51 51 ARG HG3 H 1.537 0.030 2 528 51 51 ARG C C 172.625 0.300 1 529 51 51 ARG CA C 51.995 0.300 1 530 51 51 ARG CB C 30.730 0.300 1 531 51 51 ARG CD C 41.063 0.300 1 532 51 51 ARG CG C 24.721 0.300 1 533 51 51 ARG N N 126.992 0.300 1 534 52 52 PHE H H 8.871 0.030 1 535 52 52 PHE HA H 4.568 0.030 1 536 52 52 PHE HB2 H 2.763 0.030 2 537 52 52 PHE HB3 H 3.109 0.030 2 538 52 52 PHE HD1 H 6.971 0.030 1 539 52 52 PHE HD2 H 6.971 0.030 1 540 52 52 PHE HE1 H 6.672 0.030 1 541 52 52 PHE HE2 H 6.672 0.030 1 542 52 52 PHE HZ H 6.668 0.030 1 543 52 52 PHE C C 171.452 0.300 1 544 52 52 PHE CA C 53.861 0.300 1 545 52 52 PHE CB C 36.602 0.300 1 546 52 52 PHE CD1 C 129.696 0.300 1 547 52 52 PHE CD2 C 129.696 0.300 1 548 52 52 PHE CE1 C 128.314 0.300 1 549 52 52 PHE CE2 C 128.314 0.300 1 550 52 52 PHE CZ C 125.689 0.300 1 551 52 52 PHE N N 124.671 0.300 1 552 53 53 PRO HA H 4.425 0.030 1 553 53 53 PRO HB2 H 2.231 0.030 2 554 53 53 PRO HB3 H 1.934 0.030 2 555 53 53 PRO HD2 H 4.098 0.030 2 556 53 53 PRO HD3 H 3.845 0.030 2 557 53 53 PRO HG2 H 2.287 0.030 2 558 53 53 PRO HG3 H 2.228 0.030 2 559 53 53 PRO C C 174.754 0.300 1 560 53 53 PRO CA C 60.809 0.300 1 561 53 53 PRO CB C 30.021 0.300 1 562 53 53 PRO CD C 48.881 0.300 1 563 53 53 PRO CG C 25.977 0.300 1 564 54 54 GLN H H 8.539 0.030 1 565 54 54 GLN HA H 4.372 0.030 1 566 54 54 GLN HB2 H 2.199 0.030 2 567 54 54 GLN HB3 H 1.893 0.030 2 568 54 54 GLN HE21 H 6.859 0.030 2 569 54 54 GLN HE22 H 7.515 0.030 2 570 54 54 GLN HG2 H 2.409 0.030 1 571 54 54 GLN HG3 H 2.409 0.030 1 572 54 54 GLN C C 174.226 0.300 1 573 54 54 GLN CA C 52.326 0.300 1 574 54 54 GLN CB C 27.721 0.300 1 575 54 54 GLN CG C 31.640 0.300 1 576 54 54 GLN N N 120.862 0.300 1 577 54 54 GLN NE2 N 112.916 0.300 1 578 55 55 SER H H 8.554 0.030 1 579 55 55 SER HA H 4.154 0.030 1 580 55 55 SER HB2 H 3.806 0.030 1 581 55 55 SER HB3 H 3.806 0.030 1 582 55 55 SER C C 174.244 0.300 1 583 55 55 SER CA C 58.059 0.300 1 584 55 55 SER CB C 60.495 0.300 1 585 55 55 SER N N 116.378 0.300 1 586 56 56 GLY H H 8.784 0.030 1 587 56 56 GLY HA2 H 3.671 0.030 2 588 56 56 GLY HA3 H 4.012 0.030 2 589 56 56 GLY C C 171.903 0.300 1 590 56 56 GLY CA C 42.757 0.300 1 591 56 56 GLY N N 113.686 0.300 1 592 57 57 ALA H H 7.490 0.030 1 593 57 57 ALA HA H 4.323 0.030 1 594 57 57 ALA HB H 1.391 0.030 1 595 57 57 ALA C C 174.099 0.300 1 596 57 57 ALA CA C 48.645 0.300 1 597 57 57 ALA CB C 16.343 0.300 1 598 57 57 ALA N N 123.435 0.300 1 599 58 58 PRO HA H 4.209 0.030 1 600 58 58 PRO HB2 H 2.246 0.030 2 601 58 58 PRO HB3 H 1.837 0.030 2 602 58 58 PRO HD2 H 3.725 0.030 2 603 58 58 PRO HD3 H 3.661 0.030 2 604 58 58 PRO HG2 H 1.979 0.030 1 605 58 58 PRO HG3 H 1.979 0.030 1 606 58 58 PRO C C 174.339 0.300 1 607 58 58 PRO CA C 62.264 0.300 1 608 58 58 PRO CB C 29.514 0.300 1 609 58 58 PRO CD C 48.067 0.300 1 610 58 58 PRO CG C 25.107 0.300 1 611 59 59 ASP H H 7.340 0.030 1 612 59 59 ASP HA H 5.055 0.030 1 613 59 59 ASP HB2 H 2.730 0.030 2 614 59 59 ASP HB3 H 2.363 0.030 2 615 59 59 ASP C C 172.132 0.300 1 616 59 59 ASP CA C 47.721 0.300 1 617 59 59 ASP CB C 39.457 0.300 1 618 59 59 ASP N N 113.158 0.300 1 619 60 60 PRO HA H 4.368 0.030 1 620 60 60 PRO HB2 H 2.138 0.030 2 621 60 60 PRO HB3 H 1.694 0.030 2 622 60 60 PRO HD2 H 3.535 0.030 2 623 60 60 PRO HD3 H 3.793 0.030 2 624 60 60 PRO HG2 H 1.843 0.030 2 625 60 60 PRO HG3 H 1.702 0.030 2 626 60 60 PRO C C 174.344 0.300 1 627 60 60 PRO CA C 60.986 0.300 1 628 60 60 PRO CB C 30.146 0.300 1 629 60 60 PRO CD C 48.331 0.300 1 630 60 60 PRO CG C 23.788 0.300 1 631 61 61 ASN H H 8.253 0.030 1 632 61 61 ASN HA H 5.262 0.030 1 633 61 61 ASN HB2 H 2.950 0.030 2 634 61 61 ASN HB3 H 2.788 0.030 2 635 61 61 ASN HD21 H 7.294 0.030 2 636 61 61 ASN HD22 H 7.882 0.030 2 637 61 61 ASN C C 173.056 0.300 1 638 61 61 ASN CA C 50.170 0.300 1 639 61 61 ASN CB C 36.662 0.300 1 640 61 61 ASN N N 117.546 0.300 1 641 61 61 ASN ND2 N 116.566 0.300 1 642 62 62 CYS H H 7.148 0.030 1 643 62 62 CYS HA H 4.981 0.030 1 644 62 62 CYS HB2 H 2.694 0.030 2 645 62 62 CYS HB3 H 2.480 0.030 2 646 62 62 CYS C C 169.982 0.300 1 647 62 62 CYS CA C 55.482 0.300 1 648 62 62 CYS CB C 27.146 0.300 1 649 62 62 CYS N N 117.804 0.300 1 650 63 63 VAL H H 8.323 0.030 1 651 63 63 VAL HA H 4.380 0.030 1 652 63 63 VAL HB H 1.473 0.030 1 653 63 63 VAL HG1 H 0.039 0.030 1 654 63 63 VAL HG2 H 0.211 0.030 1 655 63 63 VAL C C 171.577 0.300 1 656 63 63 VAL CA C 57.449 0.300 1 657 63 63 VAL CB C 32.119 0.300 1 658 63 63 VAL CG1 C 19.689 0.300 2 659 63 63 VAL CG2 C 18.095 0.300 2 660 63 63 VAL N N 118.672 0.300 1 661 64 64 THR H H 8.122 0.030 1 662 64 64 THR HA H 5.151 0.030 1 663 64 64 THR HB H 3.473 0.030 1 664 64 64 THR HG2 H 0.970 0.030 1 665 64 64 THR C C 171.667 0.300 1 666 64 64 THR CA C 59.650 0.300 1 667 64 64 THR CB C 68.716 0.300 1 668 64 64 THR CG2 C 19.526 0.300 1 669 64 64 THR N N 118.831 0.300 1 670 65 65 VAL H H 9.192 0.030 1 671 65 65 VAL HA H 4.697 0.030 1 672 65 65 VAL HB H 1.864 0.030 1 673 65 65 VAL HG1 H 0.764 0.030 1 674 65 65 VAL HG2 H 0.619 0.030 1 675 65 65 VAL C C 172.058 0.300 1 676 65 65 VAL CA C 58.941 0.300 1 677 65 65 VAL CB C 30.936 0.300 1 678 65 65 VAL CG1 C 19.868 0.300 2 679 65 65 VAL CG2 C 18.661 0.300 2 680 65 65 VAL N N 129.709 0.300 1 681 66 66 THR H H 8.861 0.030 1 682 66 66 THR HA H 5.755 0.030 1 683 66 66 THR HB H 3.771 0.030 1 684 66 66 THR HG2 H 1.081 0.030 1 685 66 66 THR C C 172.044 0.300 1 686 66 66 THR CA C 58.440 0.300 1 687 66 66 THR CB C 69.452 0.300 1 688 66 66 THR CG2 C 18.855 0.300 1 689 66 66 THR N N 121.836 0.300 1 690 67 67 GLY H H 8.755 0.030 1 691 67 67 GLY HA2 H 4.331 0.030 2 692 67 67 GLY HA3 H 4.200 0.030 2 693 67 67 GLY C C 169.623 0.300 1 694 67 67 GLY CA C 43.159 0.300 1 695 67 67 GLY N N 113.008 0.300 1 696 68 68 LEU H H 9.337 0.030 1 697 68 68 LEU HA H 4.606 0.030 1 698 68 68 LEU HB2 H 1.731 0.030 2 699 68 68 LEU HB3 H 1.661 0.030 2 700 68 68 LEU HD1 H 0.877 0.030 1 701 68 68 LEU HD2 H 0.868 0.030 1 702 68 68 LEU HG H 1.800 0.030 1 703 68 68 LEU C C 174.584 0.300 1 704 68 68 LEU CA C 52.007 0.300 1 705 68 68 LEU CB C 37.860 0.300 1 706 68 68 LEU CD1 C 20.967 0.300 2 707 68 68 LEU CD2 C 23.209 0.300 2 708 68 68 LEU CG C 24.510 0.300 1 709 68 68 LEU N N 122.855 0.300 1 710 69 69 PRO HA H 3.932 0.030 1 711 69 69 PRO HB2 H 2.338 0.030 2 712 69 69 PRO HB3 H 1.993 0.030 2 713 69 69 PRO HD2 H 3.835 0.030 2 714 69 69 PRO HD3 H 4.094 0.030 2 715 69 69 PRO HG2 H 2.101 0.030 2 716 69 69 PRO HG3 H 2.276 0.030 2 717 69 69 PRO C C 176.186 0.300 1 718 69 69 PRO CA C 64.601 0.300 1 719 69 69 PRO CB C 29.600 0.300 1 720 69 69 PRO CD C 47.770 0.300 1 721 69 69 PRO CG C 25.391 0.300 1 722 70 70 GLU H H 9.764 0.030 1 723 70 70 GLU HA H 4.087 0.030 1 724 70 70 GLU HB2 H 1.965 0.030 1 725 70 70 GLU HB3 H 1.965 0.030 1 726 70 70 GLU HG2 H 2.221 0.030 2 727 70 70 GLU HG3 H 2.264 0.030 2 728 70 70 GLU C C 175.937 0.300 1 729 70 70 GLU CA C 57.023 0.300 1 730 70 70 GLU CB C 26.349 0.300 1 731 70 70 GLU CG C 33.811 0.300 1 732 70 70 GLU N N 116.438 0.300 1 733 71 71 ASN H H 7.045 0.030 1 734 71 71 ASN HA H 4.601 0.030 1 735 71 71 ASN HB2 H 3.807 0.030 2 736 71 71 ASN HB3 H 2.662 0.030 2 737 71 71 ASN HD21 H 7.182 0.030 2 738 71 71 ASN HD22 H 8.293 0.030 2 739 71 71 ASN C C 174.538 0.300 1 740 71 71 ASN CA C 53.335 0.300 1 741 71 71 ASN CB C 35.740 0.300 1 742 71 71 ASN N N 119.147 0.300 1 743 71 71 ASN ND2 N 113.438 0.300 1 744 72 72 VAL H H 8.289 0.030 1 745 72 72 VAL HA H 3.140 0.030 1 746 72 72 VAL HB H 1.879 0.030 1 747 72 72 VAL HG1 H 0.639 0.030 1 748 72 72 VAL HG2 H 0.642 0.030 1 749 72 72 VAL C C 174.748 0.300 1 750 72 72 VAL CA C 64.678 0.300 1 751 72 72 VAL CB C 29.490 0.300 1 752 72 72 VAL CG1 C 18.981 0.300 2 753 72 72 VAL CG2 C 21.776 0.300 2 754 72 72 VAL N N 120.487 0.300 1 755 73 73 GLU H H 7.844 0.030 1 756 73 73 GLU HA H 3.738 0.030 1 757 73 73 GLU HB2 H 1.980 0.030 2 758 73 73 GLU HB3 H 1.936 0.030 2 759 73 73 GLU HG2 H 2.124 0.030 2 760 73 73 GLU HG3 H 2.261 0.030 2 761 73 73 GLU C C 176.647 0.300 1 762 73 73 GLU CA C 57.529 0.300 1 763 73 73 GLU CB C 27.229 0.300 1 764 73 73 GLU CG C 33.741 0.300 1 765 73 73 GLU N N 116.750 0.300 1 766 74 74 GLU H H 7.124 0.030 1 767 74 74 GLU HA H 3.974 0.030 1 768 74 74 GLU HB2 H 2.080 0.030 1 769 74 74 GLU HB3 H 2.080 0.030 1 770 74 74 GLU HG2 H 2.597 0.030 2 771 74 74 GLU HG3 H 2.239 0.030 2 772 74 74 GLU C C 176.629 0.300 1 773 74 74 GLU CA C 57.124 0.300 1 774 74 74 GLU CB C 27.599 0.300 1 775 74 74 GLU CG C 34.906 0.300 1 776 74 74 GLU N N 116.831 0.300 1 777 75 75 ALA H H 8.238 0.030 1 778 75 75 ALA HA H 2.742 0.030 1 779 75 75 ALA HB H 1.023 0.030 1 780 75 75 ALA C C 177.038 0.300 1 781 75 75 ALA CA C 52.456 0.300 1 782 75 75 ALA CB C 16.870 0.300 1 783 75 75 ALA N N 122.840 0.300 1 784 76 76 ILE H H 8.394 0.030 1 785 76 76 ILE HA H 3.240 0.030 1 786 76 76 ILE HB H 1.699 0.030 1 787 76 76 ILE HD1 H 0.548 0.030 1 788 76 76 ILE HG12 H 1.796 0.030 2 789 76 76 ILE HG13 H 0.566 0.030 2 790 76 76 ILE HG2 H 0.753 0.030 1 791 76 76 ILE C C 174.688 0.300 1 792 76 76 ILE CA C 64.480 0.300 1 793 76 76 ILE CB C 35.301 0.300 1 794 76 76 ILE CD1 C 12.483 0.300 1 795 76 76 ILE CG1 C 28.684 0.300 1 796 76 76 ILE CG2 C 14.858 0.300 1 797 76 76 ILE N N 117.663 0.300 1 798 77 77 ASP H H 7.332 0.030 1 799 77 77 ASP HA H 4.190 0.030 1 800 77 77 ASP HB2 H 2.603 0.030 2 801 77 77 ASP HB3 H 2.536 0.030 2 802 77 77 ASP C C 176.025 0.300 1 803 77 77 ASP CA C 55.363 0.300 1 804 77 77 ASP CB C 38.534 0.300 1 805 77 77 ASP N N 118.002 0.300 1 806 78 78 HIS H H 7.406 0.030 1 807 78 78 HIS HA H 4.132 0.030 1 808 78 78 HIS HB2 H 2.845 0.030 2 809 78 78 HIS HB3 H 2.961 0.030 2 810 78 78 HIS HD2 H 6.478 0.030 1 811 78 78 HIS HE1 H 7.829 0.030 1 812 78 78 HIS C C 175.819 0.300 1 813 78 78 HIS CA C 57.851 0.300 1 814 78 78 HIS CB C 28.133 0.300 1 815 78 78 HIS CD2 C 118.894 0.300 1 816 78 78 HIS CE1 C 137.017 0.300 1 817 78 78 HIS N N 116.967 0.300 1 818 79 79 ILE H H 8.486 0.030 1 819 79 79 ILE HA H 3.583 0.030 1 820 79 79 ILE HB H 1.829 0.030 1 821 79 79 ILE HD1 H 0.543 0.030 1 822 79 79 ILE HG12 H 1.605 0.030 2 823 79 79 ILE HG13 H 1.183 0.030 2 824 79 79 ILE HG2 H 0.787 0.030 1 825 79 79 ILE C C 175.137 0.300 1 826 79 79 ILE CA C 63.333 0.300 1 827 79 79 ILE CB C 35.716 0.300 1 828 79 79 ILE CD1 C 11.037 0.300 1 829 79 79 ILE CG1 C 26.026 0.300 1 830 79 79 ILE CG2 C 15.485 0.300 1 831 79 79 ILE N N 117.178 0.300 1 832 80 80 LEU H H 8.620 0.030 1 833 80 80 LEU HA H 4.070 0.030 1 834 80 80 LEU HB2 H 1.798 0.030 2 835 80 80 LEU HB3 H 1.362 0.030 2 836 80 80 LEU HD1 H 0.746 0.030 1 837 80 80 LEU HD2 H 0.734 0.030 1 838 80 80 LEU HG H 1.725 0.030 1 839 80 80 LEU C C 178.460 0.300 1 840 80 80 LEU CA C 55.315 0.300 1 841 80 80 LEU CB C 38.180 0.300 1 842 80 80 LEU CD1 C 23.478 0.300 2 843 80 80 LEU CD2 C 19.990 0.300 2 844 80 80 LEU CG C 24.537 0.300 1 845 80 80 LEU N N 120.265 0.300 1 846 81 81 ASN H H 7.621 0.030 1 847 81 81 ASN HA H 4.439 0.030 1 848 81 81 ASN HB2 H 2.808 0.030 2 849 81 81 ASN HB3 H 2.649 0.030 2 850 81 81 ASN HD21 H 7.488 0.030 2 851 81 81 ASN HD22 H 6.724 0.030 2 852 81 81 ASN C C 175.602 0.300 1 853 81 81 ASN CA C 53.957 0.300 1 854 81 81 ASN CB C 35.893 0.300 1 855 81 81 ASN N N 119.935 0.300 1 856 81 81 ASN ND2 N 112.971 0.300 1 857 82 82 LEU H H 7.562 0.030 1 858 82 82 LEU HA H 3.574 0.030 1 859 82 82 LEU HB2 H 1.741 0.030 2 860 82 82 LEU HB3 H 0.887 0.030 2 861 82 82 LEU HD1 H 0.756 0.030 1 862 82 82 LEU HD2 H 0.535 0.030 1 863 82 82 LEU HG H 1.270 0.030 1 864 82 82 LEU C C 175.612 0.300 1 865 82 82 LEU CA C 55.104 0.300 1 866 82 82 LEU CB C 38.869 0.300 1 867 82 82 LEU CD1 C 23.985 0.300 2 868 82 82 LEU CD2 C 19.661 0.300 2 869 82 82 LEU CG C 23.746 0.300 1 870 82 82 LEU N N 120.585 0.300 1 871 83 83 GLU H H 8.307 0.030 1 872 83 83 GLU HA H 3.621 0.030 1 873 83 83 GLU HB2 H 2.320 0.030 2 874 83 83 GLU HB3 H 1.911 0.030 2 875 83 83 GLU HG2 H 2.136 0.030 2 876 83 83 GLU HG3 H 2.056 0.030 2 877 83 83 GLU C C 174.933 0.300 1 878 83 83 GLU CA C 57.938 0.300 1 879 83 83 GLU CB C 27.478 0.300 1 880 83 83 GLU CG C 34.781 0.300 1 881 83 83 GLU N N 118.722 0.300 1 882 84 84 GLU H H 7.484 0.030 1 883 84 84 GLU HA H 3.836 0.030 1 884 84 84 GLU HB2 H 2.044 0.030 1 885 84 84 GLU HB3 H 2.044 0.030 1 886 84 84 GLU HG2 H 2.262 0.030 2 887 84 84 GLU HG3 H 2.126 0.030 2 888 84 84 GLU C C 176.834 0.300 1 889 84 84 GLU CA C 57.130 0.300 1 890 84 84 GLU CB C 27.399 0.300 1 891 84 84 GLU CG C 33.844 0.300 1 892 84 84 GLU N N 116.687 0.300 1 893 85 85 GLU H H 7.660 0.030 1 894 85 85 GLU HA H 3.900 0.030 1 895 85 85 GLU HB2 H 1.857 0.030 2 896 85 85 GLU HB3 H 1.761 0.030 2 897 85 85 GLU HG2 H 2.207 0.030 2 898 85 85 GLU HG3 H 1.978 0.030 2 899 85 85 GLU C C 177.177 0.300 1 900 85 85 GLU CA C 56.878 0.300 1 901 85 85 GLU CB C 27.146 0.300 1 902 85 85 GLU CG C 33.544 0.300 1 903 85 85 GLU N N 119.177 0.300 1 904 86 86 TYR H H 8.676 0.030 1 905 86 86 TYR HA H 4.640 0.030 1 906 86 86 TYR HB2 H 3.002 0.030 2 907 86 86 TYR HB3 H 2.909 0.030 2 908 86 86 TYR HD1 H 6.780 0.030 1 909 86 86 TYR HD2 H 6.780 0.030 1 910 86 86 TYR HE1 H 6.565 0.030 1 911 86 86 TYR HE2 H 6.565 0.030 1 912 86 86 TYR C C 176.737 0.300 1 913 86 86 TYR CA C 55.256 0.300 1 914 86 86 TYR CB C 34.590 0.300 1 915 86 86 TYR CD1 C 128.600 0.300 1 916 86 86 TYR CD2 C 128.600 0.300 1 917 86 86 TYR CE1 C 115.642 0.300 1 918 86 86 TYR CE2 C 115.642 0.300 1 919 86 86 TYR N N 118.032 0.300 1 920 87 87 LEU H H 8.500 0.030 1 921 87 87 LEU HA H 4.077 0.030 1 922 87 87 LEU HB2 H 1.782 0.030 2 923 87 87 LEU HB3 H 1.362 0.030 2 924 87 87 LEU HD1 H 0.750 0.030 1 925 87 87 LEU HD2 H 0.645 0.030 1 926 87 87 LEU HG H 1.704 0.030 1 927 87 87 LEU C C 176.288 0.300 1 928 87 87 LEU CA C 54.302 0.300 1 929 87 87 LEU CB C 39.630 0.300 1 930 87 87 LEU CD1 C 23.511 0.300 2 931 87 87 LEU CD2 C 20.379 0.300 2 932 87 87 LEU CG C 24.506 0.300 1 933 87 87 LEU N N 120.874 0.300 1 934 88 88 ALA H H 7.368 0.030 1 935 88 88 ALA HA H 4.169 0.030 1 936 88 88 ALA HB H 1.416 0.030 1 937 88 88 ALA C C 175.748 0.300 1 938 88 88 ALA CA C 51.307 0.300 1 939 88 88 ALA CB C 16.352 0.300 1 940 88 88 ALA N N 121.093 0.300 1 941 89 89 ASP H H 7.687 0.030 1 942 89 89 ASP HA H 4.675 0.030 1 943 89 89 ASP HB2 H 2.727 0.030 2 944 89 89 ASP HB3 H 2.651 0.030 2 945 89 89 ASP C C 174.067 0.300 1 946 89 89 ASP CA C 52.030 0.300 1 947 89 89 ASP CB C 39.059 0.300 1 948 89 89 ASP N N 117.840 0.300 1 949 90 90 SER H H 7.973 0.030 1 950 90 90 SER HA H 4.417 0.030 1 951 90 90 SER HB2 H 3.851 0.030 1 952 90 90 SER HB3 H 3.851 0.030 1 953 90 90 SER C C 172.552 0.300 1 954 90 90 SER CA C 56.454 0.300 1 955 90 90 SER CB C 61.847 0.300 1 956 90 90 SER N N 115.608 0.300 1 957 91 91 GLY H H 8.193 0.030 1 958 91 91 GLY HA2 H 4.045 0.030 1 959 91 91 GLY HA3 H 4.045 0.030 1 960 91 91 GLY C C 169.582 0.300 1 961 91 91 GLY CA C 42.484 0.300 1 962 91 91 GLY N N 110.363 0.300 1 963 92 92 PRO HA H 4.430 0.030 1 964 92 92 PRO HB2 H 2.215 0.030 2 965 92 92 PRO HB3 H 1.897 0.030 2 966 92 92 PRO HD2 H 3.555 0.030 1 967 92 92 PRO HD3 H 3.555 0.030 1 968 92 92 PRO HG2 H 1.938 0.030 1 969 92 92 PRO HG3 H 1.938 0.030 1 970 92 92 PRO C C 175.151 0.300 1 971 92 92 PRO CA C 60.731 0.300 1 972 92 92 PRO CB C 29.843 0.300 1 973 92 92 PRO CD C 47.516 0.300 1 974 92 92 PRO CG C 24.836 0.300 1 975 93 93 SER H H 8.449 0.030 1 976 93 93 SER HA H 4.396 0.030 1 977 93 93 SER HB2 H 3.833 0.030 1 978 93 93 SER HB3 H 3.833 0.030 1 979 93 93 SER C C 175.167 0.300 1 980 93 93 SER CA C 56.085 0.300 1 981 93 93 SER CB C 61.568 0.300 1 982 93 93 SER N N 116.030 0.300 1 983 94 94 SER HA H 4.487 0.030 1 984 94 94 SER HB2 H 3.828 0.030 1 985 94 94 SER HB3 H 3.828 0.030 1 986 94 94 SER C C 171.648 0.300 1 987 94 94 SER CA C 56.014 0.300 1 988 94 94 SER CB C 61.861 0.300 1 989 95 95 GLY H H 7.966 0.030 1 990 95 95 GLY HA2 H 3.721 0.030 2 991 95 95 GLY HA3 H 3.682 0.030 2 992 95 95 GLY C C 176.697 0.300 1 993 95 95 GLY CA C 43.873 0.300 1 994 95 95 GLY N N 116.475 0.300 1 stop_ save_