data_11135 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the 8th KH type I domain from human Vigilin ; _BMRB_accession_number 11135 _BMRB_flat_file_name bmr11135.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" 502 "13C chemical shifts" 374 "15N chemical shifts" 83 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 8th 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 ; GSSGSSGSIQKDLANIAEVE VSIPAKLHNSLIGTKGRLIR SIMEECGGVHIHFPVEGSGS DTVVIRGPSSDVEKAKKQLL HLAEEKQTKSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 SER 9 ILE 10 GLN 11 LYS 12 ASP 13 LEU 14 ALA 15 ASN 16 ILE 17 ALA 18 GLU 19 VAL 20 GLU 21 VAL 22 SER 23 ILE 24 PRO 25 ALA 26 LYS 27 LEU 28 HIS 29 ASN 30 SER 31 LEU 32 ILE 33 GLY 34 THR 35 LYS 36 GLY 37 ARG 38 LEU 39 ILE 40 ARG 41 SER 42 ILE 43 MET 44 GLU 45 GLU 46 CYS 47 GLY 48 GLY 49 VAL 50 HIS 51 ILE 52 HIS 53 PHE 54 PRO 55 VAL 56 GLU 57 GLY 58 SER 59 GLY 60 SER 61 ASP 62 THR 63 VAL 64 VAL 65 ILE 66 ARG 67 GLY 68 PRO 69 SER 70 SER 71 ASP 72 VAL 73 GLU 74 LYS 75 ALA 76 LYS 77 LYS 78 GLN 79 LEU 80 LEU 81 HIS 82 LEU 83 ALA 84 GLU 85 GLU 86 LYS 87 GLN 88 THR 89 LYS 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 2CTJ "Solution Structure Of The 8th Kh Type I Domain From Human Vigilin" 100.00 95 100.00 100.00 9.58e-59 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 . P050131-14 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.10mM KH domain {U-15N,13C;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.10 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 296 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS 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 3.753 0.030 1 2 1 1 GLY HA3 H 3.753 0.030 1 3 1 1 GLY CA C 41.413 0.300 1 4 8 8 SER HA H 4.379 0.030 1 5 8 8 SER HB2 H 3.738 0.030 1 6 8 8 SER HB3 H 3.738 0.030 1 7 8 8 SER C C 172.224 0.300 1 8 8 8 SER CA C 55.917 0.300 1 9 8 8 SER CB C 61.529 0.300 1 10 9 9 ILE H H 8.082 0.030 1 11 9 9 ILE HA H 4.069 0.030 1 12 9 9 ILE HB H 1.767 0.030 1 13 9 9 ILE HD1 H 0.753 0.030 1 14 9 9 ILE HG12 H 1.361 0.030 2 15 9 9 ILE HG13 H 1.087 0.030 2 16 9 9 ILE HG2 H 0.791 0.030 1 17 9 9 ILE C C 173.947 0.300 1 18 9 9 ILE CA C 58.973 0.300 1 19 9 9 ILE CB C 36.278 0.300 1 20 9 9 ILE CD1 C 10.597 0.300 1 21 9 9 ILE CG1 C 24.995 0.300 1 22 9 9 ILE CG2 C 15.129 0.300 1 23 9 9 ILE N N 122.227 0.300 1 24 10 10 GLN H H 8.336 0.030 1 25 10 10 GLN HA H 4.201 0.030 1 26 10 10 GLN HB2 H 1.879 0.030 2 27 10 10 GLN HB3 H 1.980 0.030 2 28 10 10 GLN HE21 H 6.757 0.030 2 29 10 10 GLN HE22 H 7.494 0.030 2 30 10 10 GLN HG2 H 2.263 0.030 1 31 10 10 GLN HG3 H 2.263 0.030 1 32 10 10 GLN C C 173.654 0.300 1 33 10 10 GLN CA C 53.644 0.300 1 34 10 10 GLN CB C 26.945 0.300 1 35 10 10 GLN CG C 31.450 0.300 1 36 10 10 GLN N N 124.273 0.300 1 37 10 10 GLN NE2 N 112.382 0.300 1 38 11 11 LYS H H 8.249 0.030 1 39 11 11 LYS HA H 4.150 0.030 1 40 11 11 LYS HB2 H 1.646 0.030 2 41 11 11 LYS HB3 H 1.701 0.030 2 42 11 11 LYS HD2 H 1.565 0.030 1 43 11 11 LYS HD3 H 1.565 0.030 1 44 11 11 LYS HE2 H 2.881 0.030 1 45 11 11 LYS HE3 H 2.881 0.030 1 46 11 11 LYS HG2 H 1.348 0.030 1 47 11 11 LYS HG3 H 1.348 0.030 1 48 11 11 LYS C C 173.880 0.300 1 49 11 11 LYS CA C 54.407 0.300 1 50 11 11 LYS CB C 30.783 0.300 1 51 11 11 LYS CD C 26.763 0.300 1 52 11 11 LYS CE C 39.695 0.300 1 53 11 11 LYS CG C 22.451 0.300 1 54 11 11 LYS N N 122.764 0.300 1 55 12 12 ASP H H 8.271 0.030 1 56 12 12 ASP HA H 4.480 0.030 1 57 12 12 ASP HB2 H 2.519 0.030 2 58 12 12 ASP HB3 H 2.638 0.030 2 59 12 12 ASP C C 174.122 0.300 1 60 12 12 ASP CA C 52.127 0.300 1 61 12 12 ASP CB C 38.590 0.300 1 62 12 12 ASP N N 120.619 0.300 1 63 13 13 LEU H H 8.049 0.030 1 64 13 13 LEU HA H 4.186 0.030 1 65 13 13 LEU HB2 H 1.502 0.030 2 66 13 13 LEU HB3 H 1.559 0.030 2 67 13 13 LEU HD1 H 0.820 0.030 1 68 13 13 LEU HD2 H 0.755 0.030 1 69 13 13 LEU HG H 1.540 0.030 1 70 13 13 LEU C C 174.988 0.300 1 71 13 13 LEU CA C 53.006 0.300 1 72 13 13 LEU CB C 39.770 0.300 1 73 13 13 LEU CD1 C 22.750 0.300 2 74 13 13 LEU CD2 C 20.900 0.300 2 75 13 13 LEU CG C 24.678 0.300 1 76 13 13 LEU N N 122.189 0.300 1 77 14 14 ALA H H 8.078 0.030 1 78 14 14 ALA HA H 4.191 0.030 1 79 14 14 ALA HB H 1.303 0.030 1 80 14 14 ALA C C 175.137 0.300 1 81 14 14 ALA CA C 50.397 0.300 1 82 14 14 ALA CB C 16.820 0.300 1 83 14 14 ALA N N 122.795 0.300 1 84 15 15 ASN H H 8.143 0.030 1 85 15 15 ASN HA H 4.589 0.030 1 86 15 15 ASN HB2 H 2.778 0.030 2 87 15 15 ASN HB3 H 2.667 0.030 2 88 15 15 ASN HD21 H 7.594 0.030 2 89 15 15 ASN HD22 H 6.878 0.030 2 90 15 15 ASN C C 172.214 0.300 1 91 15 15 ASN CA C 50.849 0.300 1 92 15 15 ASN CB C 36.353 0.300 1 93 15 15 ASN N N 116.675 0.300 1 94 15 15 ASN ND2 N 112.623 0.300 1 95 16 16 ILE H H 7.841 0.030 1 96 16 16 ILE HA H 3.980 0.030 1 97 16 16 ILE HB H 1.715 0.030 1 98 16 16 ILE HD1 H 0.634 0.030 1 99 16 16 ILE HG12 H 1.125 0.030 2 100 16 16 ILE HG13 H 1.294 0.030 2 101 16 16 ILE HG2 H 0.670 0.030 1 102 16 16 ILE C C 172.399 0.300 1 103 16 16 ILE CA C 57.785 0.300 1 104 16 16 ILE CB C 35.812 0.300 1 105 16 16 ILE CD1 C 9.142 0.300 1 106 16 16 ILE CG1 C 24.731 0.300 1 107 16 16 ILE CG2 C 15.130 0.300 1 108 16 16 ILE N N 121.178 0.300 1 109 17 17 ALA H H 8.815 0.030 1 110 17 17 ALA HA H 4.591 0.030 1 111 17 17 ALA HB H 1.285 0.030 1 112 17 17 ALA C C 172.678 0.300 1 113 17 17 ALA CA C 48.390 0.300 1 114 17 17 ALA CB C 19.973 0.300 1 115 17 17 ALA N N 130.358 0.300 1 116 18 18 GLU H H 8.092 0.030 1 117 18 18 GLU HA H 5.219 0.030 1 118 18 18 GLU HB2 H 1.783 0.030 1 119 18 18 GLU HB3 H 1.783 0.030 1 120 18 18 GLU HG2 H 1.817 0.030 2 121 18 18 GLU HG3 H 1.909 0.030 2 122 18 18 GLU C C 173.041 0.300 1 123 18 18 GLU CA C 52.835 0.300 1 124 18 18 GLU CB C 30.676 0.300 1 125 18 18 GLU CG C 35.112 0.300 1 126 18 18 GLU N N 118.508 0.300 1 127 19 19 VAL H H 8.962 0.030 1 128 19 19 VAL HA H 4.450 0.030 1 129 19 19 VAL HB H 1.794 0.030 1 130 19 19 VAL HG1 H 0.707 0.030 1 131 19 19 VAL HG2 H 0.707 0.030 1 132 19 19 VAL C C 171.024 0.300 1 133 19 19 VAL CA C 57.597 0.300 1 134 19 19 VAL CB C 33.344 0.300 1 135 19 19 VAL CG1 C 18.861 0.300 1 136 19 19 VAL CG2 C 18.861 0.300 1 137 19 19 VAL N N 122.939 0.300 1 138 20 20 GLU H H 8.218 0.030 1 139 20 20 GLU HA H 4.962 0.030 1 140 20 20 GLU HB2 H 1.644 0.030 2 141 20 20 GLU HB3 H 1.766 0.030 2 142 20 20 GLU HG2 H 1.862 0.030 2 143 20 20 GLU HG3 H 2.162 0.030 2 144 20 20 GLU C C 173.846 0.300 1 145 20 20 GLU CA C 52.047 0.300 1 146 20 20 GLU CB C 29.452 0.300 1 147 20 20 GLU CG C 34.185 0.300 1 148 20 20 GLU N N 122.054 0.300 1 149 21 21 VAL H H 9.220 0.030 1 150 21 21 VAL HA H 4.306 0.030 1 151 21 21 VAL HB H 1.753 0.030 1 152 21 21 VAL HG1 H 0.654 0.030 1 153 21 21 VAL HG2 H 0.714 0.030 1 154 21 21 VAL C C 171.277 0.300 1 155 21 21 VAL CA C 57.489 0.300 1 156 21 21 VAL CB C 32.480 0.300 1 157 21 21 VAL CG1 C 18.595 0.300 2 158 21 21 VAL CG2 C 19.053 0.300 2 159 21 21 VAL N N 121.335 0.300 1 160 22 22 SER H H 8.387 0.030 1 161 22 22 SER HA H 4.819 0.030 1 162 22 22 SER HB2 H 3.688 0.030 2 163 22 22 SER HB3 H 3.571 0.030 2 164 22 22 SER C C 171.848 0.300 1 165 22 22 SER CA C 55.011 0.300 1 166 22 22 SER CB C 60.837 0.300 1 167 22 22 SER N N 120.584 0.300 1 168 23 23 ILE H H 9.057 0.030 1 169 23 23 ILE HA H 4.476 0.030 1 170 23 23 ILE HB H 1.537 0.030 1 171 23 23 ILE HD1 H 0.534 0.030 1 172 23 23 ILE HG12 H 1.284 0.030 2 173 23 23 ILE HG13 H 0.961 0.030 2 174 23 23 ILE HG2 H 0.900 0.030 1 175 23 23 ILE C C 170.747 0.300 1 176 23 23 ILE CA C 55.130 0.300 1 177 23 23 ILE CB C 39.807 0.300 1 178 23 23 ILE CD1 C 10.661 0.300 1 179 23 23 ILE CG1 C 24.767 0.300 1 180 23 23 ILE CG2 C 14.685 0.300 1 181 23 23 ILE N N 127.379 0.300 1 182 24 24 PRO HA H 4.046 0.030 1 183 24 24 PRO HB2 H 2.258 0.030 2 184 24 24 PRO HB3 H 1.691 0.030 2 185 24 24 PRO HD2 H 3.420 0.030 2 186 24 24 PRO HD3 H 3.801 0.030 2 187 24 24 PRO HG2 H 1.912 0.030 2 188 24 24 PRO HG3 H 2.013 0.030 2 189 24 24 PRO C C 175.161 0.300 1 190 24 24 PRO CA C 61.922 0.300 1 191 24 24 PRO CB C 30.087 0.300 1 192 24 24 PRO CD C 48.700 0.300 1 193 24 24 PRO CG C 25.224 0.300 1 194 25 25 ALA H H 8.435 0.030 1 195 25 25 ALA HA H 1.943 0.030 1 196 25 25 ALA HB H 1.104 0.030 1 197 25 25 ALA C C 177.736 0.300 1 198 25 25 ALA CA C 52.129 0.300 1 199 25 25 ALA CB C 15.947 0.300 1 200 25 25 ALA N N 127.544 0.300 1 201 26 26 LYS H H 8.432 0.030 1 202 26 26 LYS HA H 4.037 0.030 1 203 26 26 LYS HB2 H 1.658 0.030 2 204 26 26 LYS HB3 H 1.784 0.030 2 205 26 26 LYS HD2 H 1.576 0.030 1 206 26 26 LYS HD3 H 1.576 0.030 1 207 26 26 LYS HE2 H 2.828 0.030 1 208 26 26 LYS HE3 H 2.828 0.030 1 209 26 26 LYS HG2 H 1.162 0.030 2 210 26 26 LYS HG3 H 1.265 0.030 2 211 26 26 LYS C C 175.024 0.300 1 212 26 26 LYS CA C 55.895 0.300 1 213 26 26 LYS CB C 29.200 0.300 1 214 26 26 LYS CD C 26.897 0.300 1 215 26 26 LYS CE C 39.666 0.300 1 216 26 26 LYS CG C 22.138 0.300 1 217 26 26 LYS N N 115.586 0.300 1 218 27 27 LEU H H 8.188 0.030 1 219 27 27 LEU HA H 4.351 0.030 1 220 27 27 LEU HB2 H 1.772 0.030 2 221 27 27 LEU HB3 H 1.460 0.030 2 222 27 27 LEU HD1 H 0.861 0.030 1 223 27 27 LEU HD2 H 0.738 0.030 1 224 27 27 LEU HG H 1.524 0.030 1 225 27 27 LEU C C 176.166 0.300 1 226 27 27 LEU CA C 52.429 0.300 1 227 27 27 LEU CB C 40.860 0.300 1 228 27 27 LEU CD1 C 23.166 0.300 2 229 27 27 LEU CD2 C 20.481 0.300 2 230 27 27 LEU CG C 24.773 0.300 1 231 27 27 LEU N N 117.216 0.300 1 232 28 28 HIS H H 7.834 0.030 1 233 28 28 HIS HA H 4.017 0.030 1 234 28 28 HIS HB2 H 3.208 0.030 2 235 28 28 HIS HB3 H 2.913 0.030 2 236 28 28 HIS HD2 H 6.402 0.030 1 237 28 28 HIS HE1 H 7.708 0.030 1 238 28 28 HIS C C 174.698 0.300 1 239 28 28 HIS CA C 57.498 0.300 1 240 28 28 HIS CB C 28.900 0.300 1 241 28 28 HIS CD2 C 113.322 0.300 1 242 28 28 HIS CE1 C 136.078 0.300 1 243 28 28 HIS N N 118.771 0.300 1 244 29 29 ASN H H 8.896 0.030 1 245 29 29 ASN HA H 4.244 0.030 1 246 29 29 ASN HB2 H 2.618 0.030 2 247 29 29 ASN HB3 H 2.742 0.030 2 248 29 29 ASN HD21 H 7.562 0.030 2 249 29 29 ASN HD22 H 6.858 0.030 2 250 29 29 ASN C C 175.870 0.300 1 251 29 29 ASN CA C 54.498 0.300 1 252 29 29 ASN CB C 35.446 0.300 1 253 29 29 ASN N N 115.709 0.300 1 254 29 29 ASN ND2 N 112.476 0.300 1 255 30 30 SER H H 8.119 0.030 1 256 30 30 SER HA H 4.157 0.030 1 257 30 30 SER HB2 H 3.841 0.030 2 258 30 30 SER HB3 H 3.808 0.030 2 259 30 30 SER C C 172.831 0.300 1 260 30 30 SER CA C 58.491 0.300 1 261 30 30 SER CB C 60.839 0.300 1 262 30 30 SER N N 115.666 0.300 1 263 31 31 LEU H H 7.491 0.030 1 264 31 31 LEU HA H 4.024 0.030 1 265 31 31 LEU HB2 H 1.755 0.030 2 266 31 31 LEU HB3 H 1.228 0.030 2 267 31 31 LEU HD1 H 0.825 0.030 1 268 31 31 LEU HD2 H 0.689 0.030 1 269 31 31 LEU HG H 1.759 0.030 1 270 31 31 LEU C C 173.612 0.300 1 271 31 31 LEU CA C 54.283 0.300 1 272 31 31 LEU CB C 39.845 0.300 1 273 31 31 LEU CD1 C 24.232 0.300 2 274 31 31 LEU CD2 C 21.313 0.300 2 275 31 31 LEU CG C 24.445 0.300 1 276 31 31 LEU N N 121.600 0.300 1 277 32 32 ILE H H 7.375 0.030 1 278 32 32 ILE HA H 3.494 0.030 1 279 32 32 ILE HB H 1.460 0.030 1 280 32 32 ILE HD1 H 0.341 0.030 1 281 32 32 ILE HG12 H 0.822 0.030 2 282 32 32 ILE HG13 H 0.354 0.030 2 283 32 32 ILE HG2 H 0.696 0.030 1 284 32 32 ILE C C 176.309 0.300 1 285 32 32 ILE CA C 61.483 0.300 1 286 32 32 ILE CB C 37.108 0.300 1 287 32 32 ILE CD1 C 11.082 0.300 1 288 32 32 ILE CG1 C 26.006 0.300 1 289 32 32 ILE CG2 C 15.184 0.300 1 290 32 32 ILE N N 115.183 0.300 1 291 33 33 GLY H H 7.539 0.030 1 292 33 33 GLY HA2 H 3.854 0.030 2 293 33 33 GLY HA3 H 3.995 0.030 2 294 33 33 GLY CA C 42.170 0.300 1 295 33 33 GLY N N 104.797 0.300 1 296 34 34 THR HA H 3.998 0.030 1 297 34 34 THR HB H 4.041 0.030 1 298 34 34 THR HG2 H 1.176 0.030 1 299 34 34 THR CA C 62.029 0.300 1 300 34 34 THR CB C 66.674 0.300 1 301 34 34 THR CG2 C 19.750 0.300 1 302 35 35 LYS HA H 4.064 0.030 1 303 35 35 LYS HB2 H 1.987 0.030 2 304 35 35 LYS HB3 H 1.784 0.030 2 305 35 35 LYS HD2 H 1.564 0.030 1 306 35 35 LYS HD3 H 1.564 0.030 1 307 35 35 LYS HE2 H 2.876 0.030 1 308 35 35 LYS HE3 H 2.876 0.030 1 309 35 35 LYS HG2 H 1.359 0.030 2 310 35 35 LYS HG3 H 1.307 0.030 2 311 35 35 LYS C C 174.407 0.300 1 312 35 35 LYS CA C 54.569 0.300 1 313 35 35 LYS CB C 28.759 0.300 1 314 35 35 LYS CD C 26.836 0.300 1 315 35 35 LYS CE C 39.860 0.300 1 316 35 35 LYS CG C 23.045 0.300 1 317 36 36 GLY H H 7.843 0.030 1 318 36 36 GLY HA2 H 3.852 0.030 2 319 36 36 GLY HA3 H 3.753 0.030 2 320 36 36 GLY C C 173.863 0.300 1 321 36 36 GLY CA C 44.237 0.300 1 322 36 36 GLY N N 106.405 0.300 1 323 37 37 ARG H H 7.891 0.030 1 324 37 37 ARG HA H 3.876 0.030 1 325 37 37 ARG HB2 H 1.776 0.030 2 326 37 37 ARG HB3 H 1.840 0.030 2 327 37 37 ARG HD2 H 3.118 0.030 1 328 37 37 ARG HD3 H 3.118 0.030 1 329 37 37 ARG HG2 H 1.596 0.030 1 330 37 37 ARG HG3 H 1.596 0.030 1 331 37 37 ARG C C 176.158 0.300 1 332 37 37 ARG CA C 56.921 0.300 1 333 37 37 ARG CB C 27.928 0.300 1 334 37 37 ARG CD C 41.034 0.300 1 335 37 37 ARG CG C 25.014 0.300 1 336 37 37 ARG N N 118.422 0.300 1 337 38 38 LEU H H 7.778 0.030 1 338 38 38 LEU HA H 4.189 0.030 1 339 38 38 LEU HB2 H 1.511 0.030 2 340 38 38 LEU HB3 H 1.591 0.030 2 341 38 38 LEU HD1 H 0.839 0.030 1 342 38 38 LEU HD2 H 0.839 0.030 1 343 38 38 LEU HG H 1.539 0.030 1 344 38 38 LEU C C 177.314 0.300 1 345 38 38 LEU CA C 55.284 0.300 1 346 38 38 LEU CB C 38.545 0.300 1 347 38 38 LEU CD1 C 21.840 0.300 1 348 38 38 LEU CD2 C 21.840 0.300 1 349 38 38 LEU CG C 24.889 0.300 1 350 38 38 LEU N N 119.734 0.300 1 351 39 39 ILE H H 7.707 0.030 1 352 39 39 ILE HA H 3.947 0.030 1 353 39 39 ILE HB H 2.034 0.030 1 354 39 39 ILE HD1 H 0.811 0.030 1 355 39 39 ILE HG12 H 1.329 0.030 2 356 39 39 ILE HG13 H 1.438 0.030 2 357 39 39 ILE HG2 H 0.963 0.030 1 358 39 39 ILE C C 175.256 0.300 1 359 39 39 ILE CA C 59.829 0.300 1 360 39 39 ILE CB C 35.215 0.300 1 361 39 39 ILE CD1 C 11.690 0.300 1 362 39 39 ILE CG1 C 26.011 0.300 1 363 39 39 ILE CG2 C 16.420 0.300 1 364 39 39 ILE N N 118.832 0.300 1 365 40 40 ARG H H 7.974 0.030 1 366 40 40 ARG HA H 4.019 0.030 1 367 40 40 ARG HB2 H 1.814 0.030 1 368 40 40 ARG HB3 H 1.814 0.030 1 369 40 40 ARG HD2 H 3.123 0.030 1 370 40 40 ARG HD3 H 3.123 0.030 1 371 40 40 ARG HG2 H 1.508 0.030 2 372 40 40 ARG HG3 H 1.713 0.030 2 373 40 40 ARG C C 176.129 0.300 1 374 40 40 ARG CA C 57.469 0.300 1 375 40 40 ARG CB C 27.344 0.300 1 376 40 40 ARG CD C 41.014 0.300 1 377 40 40 ARG CG C 25.270 0.300 1 378 40 40 ARG N N 121.232 0.300 1 379 41 41 SER H H 7.682 0.030 1 380 41 41 SER HA H 4.239 0.030 1 381 41 41 SER HB2 H 3.961 0.030 1 382 41 41 SER HB3 H 3.961 0.030 1 383 41 41 SER C C 174.065 0.300 1 384 41 41 SER CA C 59.627 0.300 1 385 41 41 SER CB C 60.463 0.300 1 386 41 41 SER N N 114.525 0.300 1 387 42 42 ILE H H 7.566 0.030 1 388 42 42 ILE HA H 3.724 0.030 1 389 42 42 ILE HB H 1.806 0.030 1 390 42 42 ILE HD1 H 0.675 0.030 1 391 42 42 ILE HG12 H 1.022 0.030 2 392 42 42 ILE HG13 H 1.739 0.030 2 393 42 42 ILE HG2 H 0.708 0.030 1 394 42 42 ILE C C 175.639 0.300 1 395 42 42 ILE CA C 62.985 0.300 1 396 42 42 ILE CB C 35.802 0.300 1 397 42 42 ILE CD1 C 11.266 0.300 1 398 42 42 ILE CG1 C 25.884 0.300 1 399 42 42 ILE CG2 C 14.583 0.300 1 400 42 42 ILE N N 122.135 0.300 1 401 43 43 MET H H 8.044 0.030 1 402 43 43 MET HA H 3.590 0.030 1 403 43 43 MET HB2 H 2.149 0.030 2 404 43 43 MET HB3 H 2.180 0.030 2 405 43 43 MET HE H 2.066 0.030 1 406 43 43 MET HG2 H 2.422 0.030 2 407 43 43 MET HG3 H 2.591 0.030 2 408 43 43 MET C C 176.100 0.300 1 409 43 43 MET CA C 58.250 0.300 1 410 43 43 MET CB C 31.187 0.300 1 411 43 43 MET CE C 14.963 0.300 1 412 43 43 MET CG C 30.708 0.300 1 413 43 43 MET N N 117.254 0.300 1 414 44 44 GLU H H 8.034 0.030 1 415 44 44 GLU HA H 3.875 0.030 1 416 44 44 GLU HB2 H 2.048 0.030 2 417 44 44 GLU HB3 H 1.981 0.030 2 418 44 44 GLU HG2 H 2.361 0.030 2 419 44 44 GLU HG3 H 2.187 0.030 2 420 44 44 GLU C C 176.887 0.300 1 421 44 44 GLU CA C 56.731 0.300 1 422 44 44 GLU CB C 27.485 0.300 1 423 44 44 GLU CG C 34.258 0.300 1 424 44 44 GLU N N 116.706 0.300 1 425 45 45 GLU H H 8.051 0.030 1 426 45 45 GLU HA H 4.152 0.030 1 427 45 45 GLU HB2 H 2.108 0.030 1 428 45 45 GLU HB3 H 2.108 0.030 1 429 45 45 GLU HG2 H 2.278 0.030 2 430 45 45 GLU HG3 H 2.375 0.030 2 431 45 45 GLU C C 175.480 0.300 1 432 45 45 GLU CA C 55.878 0.300 1 433 45 45 GLU CB C 27.854 0.300 1 434 45 45 GLU CG C 34.310 0.300 1 435 45 45 GLU N N 118.498 0.300 1 436 46 46 CYS H H 7.660 0.030 1 437 46 46 CYS HA H 4.577 0.030 1 438 46 46 CYS HB2 H 2.783 0.030 2 439 46 46 CYS HB3 H 2.891 0.030 2 440 46 46 CYS C C 172.482 0.300 1 441 46 46 CYS CA C 55.534 0.300 1 442 46 46 CYS CB C 25.258 0.300 1 443 46 46 CYS N N 117.061 0.300 1 444 47 47 GLY H H 7.363 0.030 1 445 47 47 GLY HA2 H 3.688 0.030 2 446 47 47 GLY HA3 H 3.771 0.030 2 447 47 47 GLY C C 173.173 0.300 1 448 47 47 GLY CA C 44.487 0.300 1 449 47 47 GLY N N 103.828 0.300 1 450 48 48 GLY H H 8.565 0.030 1 451 48 48 GLY HA2 H 3.840 0.030 2 452 48 48 GLY HA3 H 3.562 0.030 2 453 48 48 GLY C C 173.257 0.300 1 454 48 48 GLY CA C 43.714 0.300 1 455 48 48 GLY N N 108.046 0.300 1 456 49 49 VAL H H 6.691 0.030 1 457 49 49 VAL HA H 4.204 0.030 1 458 49 49 VAL HB H 1.980 0.030 1 459 49 49 VAL HG1 H 0.815 0.030 1 460 49 49 VAL HG2 H 0.624 0.030 1 461 49 49 VAL C C 171.017 0.300 1 462 49 49 VAL CA C 59.221 0.300 1 463 49 49 VAL CB C 29.862 0.300 1 464 49 49 VAL CG1 C 20.254 0.300 2 465 49 49 VAL CG2 C 17.352 0.300 2 466 49 49 VAL N N 112.662 0.300 1 467 50 50 HIS H H 8.484 0.030 1 468 50 50 HIS HA H 4.699 0.030 1 469 50 50 HIS HB2 H 2.900 0.030 1 470 50 50 HIS HB3 H 2.900 0.030 1 471 50 50 HIS HD2 H 6.820 0.030 1 472 50 50 HIS HE1 H 7.665 0.030 1 473 50 50 HIS C C 172.149 0.300 1 474 50 50 HIS CA C 53.314 0.300 1 475 50 50 HIS CB C 30.256 0.300 1 476 50 50 HIS CD2 C 116.892 0.300 1 477 50 50 HIS CE1 C 136.197 0.300 1 478 50 50 HIS N N 119.676 0.300 1 479 51 51 ILE H H 7.431 0.030 1 480 51 51 ILE HA H 4.518 0.030 1 481 51 51 ILE HB H 1.429 0.030 1 482 51 51 ILE HD1 H 0.636 0.030 1 483 51 51 ILE HG12 H 1.361 0.030 2 484 51 51 ILE HG13 H 0.684 0.030 2 485 51 51 ILE HG2 H 0.364 0.030 1 486 51 51 ILE C C 171.543 0.300 1 487 51 51 ILE CA C 58.202 0.300 1 488 51 51 ILE CB C 37.534 0.300 1 489 51 51 ILE CD1 C 11.611 0.300 1 490 51 51 ILE CG1 C 25.682 0.300 1 491 51 51 ILE CG2 C 15.774 0.300 1 492 51 51 ILE N N 123.570 0.300 1 493 52 52 HIS H H 9.203 0.030 1 494 52 52 HIS HA H 4.809 0.030 1 495 52 52 HIS HB2 H 2.797 0.030 2 496 52 52 HIS HB3 H 2.882 0.030 2 497 52 52 HIS HD2 H 6.583 0.030 1 498 52 52 HIS HE1 H 7.752 0.030 1 499 52 52 HIS C C 172.107 0.300 1 500 52 52 HIS CA C 52.486 0.300 1 501 52 52 HIS CB C 29.931 0.300 1 502 52 52 HIS CD2 C 118.334 0.300 1 503 52 52 HIS CE1 C 135.864 0.300 1 504 52 52 HIS N N 126.762 0.300 1 505 53 53 PHE H H 8.821 0.030 1 506 53 53 PHE HA H 4.383 0.030 1 507 53 53 PHE HB2 H 2.763 0.030 1 508 53 53 PHE HB3 H 2.763 0.030 1 509 53 53 PHE HD1 H 6.687 0.030 1 510 53 53 PHE HD2 H 6.687 0.030 1 511 53 53 PHE HE1 H 6.704 0.030 1 512 53 53 PHE HE2 H 6.704 0.030 1 513 53 53 PHE HZ H 6.689 0.030 1 514 53 53 PHE CA C 53.589 0.300 1 515 53 53 PHE CB C 36.992 0.300 1 516 53 53 PHE CD1 C 129.500 0.300 1 517 53 53 PHE CD2 C 129.500 0.300 1 518 53 53 PHE CE1 C 128.229 0.300 1 519 53 53 PHE CE2 C 128.229 0.300 1 520 53 53 PHE CZ C 125.602 0.300 1 521 53 53 PHE N N 126.275 0.300 1 522 54 54 PRO HA H 4.530 0.030 1 523 54 54 PRO HB2 H 2.320 0.030 2 524 54 54 PRO HB3 H 2.114 0.030 2 525 54 54 PRO HD2 H 3.561 0.030 2 526 54 54 PRO HD3 H 3.768 0.030 2 527 54 54 PRO HG2 H 2.082 0.030 2 528 54 54 PRO HG3 H 2.049 0.030 2 529 54 54 PRO C C 174.654 0.300 1 530 54 54 PRO CA C 59.745 0.300 1 531 54 54 PRO CB C 29.969 0.300 1 532 54 54 PRO CD C 47.697 0.300 1 533 54 54 PRO CG C 25.157 0.300 1 534 55 55 VAL H H 8.388 0.030 1 535 55 55 VAL HA H 3.848 0.030 1 536 55 55 VAL HB H 1.967 0.030 1 537 55 55 VAL HG1 H 0.967 0.030 1 538 55 55 VAL HG2 H 0.987 0.030 1 539 55 55 VAL C C 174.457 0.300 1 540 55 55 VAL CA C 60.406 0.300 1 541 55 55 VAL CB C 30.339 0.300 1 542 55 55 VAL CG1 C 18.785 0.300 2 543 55 55 VAL CG2 C 19.057 0.300 2 544 55 55 VAL N N 120.005 0.300 1 545 56 56 GLU H H 8.697 0.030 1 546 56 56 GLU HA H 4.076 0.030 1 547 56 56 GLU HB2 H 2.045 0.030 2 548 56 56 GLU HB3 H 1.880 0.030 2 549 56 56 GLU HG2 H 2.168 0.030 2 550 56 56 GLU HG3 H 2.233 0.030 2 551 56 56 GLU C C 175.193 0.300 1 552 56 56 GLU CA C 55.931 0.300 1 553 56 56 GLU CB C 27.165 0.300 1 554 56 56 GLU CG C 33.620 0.300 1 555 56 56 GLU N N 127.841 0.300 1 556 57 57 GLY H H 8.914 0.030 1 557 57 57 GLY HA2 H 4.206 0.030 2 558 57 57 GLY HA3 H 3.672 0.030 2 559 57 57 GLY C C 173.158 0.300 1 560 57 57 GLY CA C 42.947 0.300 1 561 57 57 GLY N N 114.395 0.300 1 562 58 58 SER H H 8.209 0.030 1 563 58 58 SER HA H 4.124 0.030 1 564 58 58 SER HB2 H 3.937 0.030 1 565 58 58 SER HB3 H 3.937 0.030 1 566 58 58 SER C C 173.785 0.300 1 567 58 58 SER CA C 57.930 0.300 1 568 58 58 SER CB C 62.041 0.300 1 569 58 58 SER N N 115.038 0.300 1 570 59 59 GLY H H 8.708 0.030 1 571 59 59 GLY HA2 H 4.003 0.030 2 572 59 59 GLY HA3 H 3.574 0.030 2 573 59 59 GLY C C 171.368 0.300 1 574 59 59 GLY CA C 43.238 0.300 1 575 59 59 GLY N N 110.930 0.300 1 576 60 60 SER H H 7.551 0.030 1 577 60 60 SER HA H 4.477 0.030 1 578 60 60 SER HB2 H 3.639 0.030 2 579 60 60 SER HB3 H 3.747 0.030 2 580 60 60 SER C C 171.950 0.300 1 581 60 60 SER CA C 54.461 0.300 1 582 60 60 SER CB C 61.896 0.300 1 583 60 60 SER N N 112.966 0.300 1 584 61 61 ASP H H 8.491 0.030 1 585 61 61 ASP HA H 4.901 0.030 1 586 61 61 ASP HB2 H 2.785 0.030 2 587 61 61 ASP HB3 H 2.482 0.030 2 588 61 61 ASP C C 173.190 0.300 1 589 61 61 ASP CA C 51.457 0.300 1 590 61 61 ASP CB C 39.835 0.300 1 591 61 61 ASP N N 125.304 0.300 1 592 62 62 THR H H 8.115 0.030 1 593 62 62 THR HA H 4.101 0.030 1 594 62 62 THR HB H 3.775 0.030 1 595 62 62 THR HG2 H 0.895 0.030 1 596 62 62 THR C C 170.584 0.300 1 597 62 62 THR CA C 62.139 0.300 1 598 62 62 THR CB C 67.138 0.300 1 599 62 62 THR CG2 C 20.055 0.300 1 600 62 62 THR N N 116.947 0.300 1 601 63 63 VAL H H 8.871 0.030 1 602 63 63 VAL HA H 3.891 0.030 1 603 63 63 VAL HB H 1.544 0.030 1 604 63 63 VAL HG1 H -0.181 0.030 1 605 63 63 VAL HG2 H 0.125 0.030 1 606 63 63 VAL C C 171.873 0.300 1 607 63 63 VAL CA C 58.858 0.300 1 608 63 63 VAL CB C 30.632 0.300 1 609 63 63 VAL CG1 C 17.902 0.300 2 610 63 63 VAL CG2 C 20.000 0.300 2 611 63 63 VAL N N 129.958 0.300 1 612 64 64 VAL H H 7.855 0.030 1 613 64 64 VAL HA H 4.699 0.030 1 614 64 64 VAL HB H 1.659 0.030 1 615 64 64 VAL HG1 H 0.714 0.030 1 616 64 64 VAL HG2 H 0.772 0.030 1 617 64 64 VAL C C 172.421 0.300 1 618 64 64 VAL CA C 58.903 0.300 1 619 64 64 VAL CB C 32.087 0.300 1 620 64 64 VAL CG1 C 19.012 0.300 2 621 64 64 VAL CG2 C 19.428 0.300 2 622 64 64 VAL N N 125.333 0.300 1 623 65 65 ILE H H 8.813 0.030 1 624 65 65 ILE HA H 4.887 0.030 1 625 65 65 ILE HB H 1.526 0.030 1 626 65 65 ILE HD1 H 0.491 0.030 1 627 65 65 ILE HG12 H 1.377 0.030 2 628 65 65 ILE HG13 H 0.563 0.030 2 629 65 65 ILE HG2 H 0.723 0.030 1 630 65 65 ILE C C 172.079 0.300 1 631 65 65 ILE CA C 57.688 0.300 1 632 65 65 ILE CB C 37.330 0.300 1 633 65 65 ILE CD1 C 11.668 0.300 1 634 65 65 ILE CG1 C 24.528 0.300 1 635 65 65 ILE CG2 C 16.697 0.300 1 636 65 65 ILE N N 126.595 0.300 1 637 66 66 ARG H H 8.897 0.030 1 638 66 66 ARG HA H 5.672 0.030 1 639 66 66 ARG HB2 H 1.571 0.030 2 640 66 66 ARG HB3 H 1.690 0.030 2 641 66 66 ARG HD2 H 3.032 0.030 2 642 66 66 ARG HD3 H 3.100 0.030 2 643 66 66 ARG HG2 H 1.408 0.030 2 644 66 66 ARG HG3 H 1.519 0.030 2 645 66 66 ARG C C 173.120 0.300 1 646 66 66 ARG CA C 51.840 0.300 1 647 66 66 ARG CB C 32.853 0.300 1 648 66 66 ARG CD C 41.014 0.300 1 649 66 66 ARG CG C 26.011 0.300 1 650 66 66 ARG N N 124.918 0.300 1 651 67 67 GLY H H 8.580 0.030 1 652 67 67 GLY HA2 H 4.305 0.030 2 653 67 67 GLY HA3 H 3.989 0.030 2 654 67 67 GLY C C 166.229 0.300 1 655 67 67 GLY CA C 42.698 0.300 1 656 67 67 GLY N N 111.576 0.300 1 657 68 68 PRO HA H 4.516 0.030 1 658 68 68 PRO HB2 H 2.373 0.030 2 659 68 68 PRO HB3 H 2.005 0.030 2 660 68 68 PRO HD2 H 3.370 0.030 2 661 68 68 PRO HD3 H 3.631 0.030 2 662 68 68 PRO HG2 H 1.882 0.030 2 663 68 68 PRO HG3 H 2.238 0.030 2 664 68 68 PRO C C 176.830 0.300 1 665 68 68 PRO CA C 61.066 0.300 1 666 68 68 PRO CB C 29.678 0.300 1 667 68 68 PRO CD C 47.482 0.300 1 668 68 68 PRO CG C 26.176 0.300 1 669 69 69 SER H H 8.739 0.030 1 670 69 69 SER HB2 H 3.799 0.030 1 671 69 69 SER HB3 H 3.799 0.030 1 672 69 69 SER C C 174.002 0.300 1 673 69 69 SER CB C 60.560 0.300 1 674 69 69 SER N N 119.423 0.300 1 675 70 70 SER HA H 4.112 0.030 1 676 70 70 SER HB2 H 3.769 0.030 2 677 70 70 SER HB3 H 3.811 0.030 2 678 70 70 SER C C 174.584 0.300 1 679 70 70 SER CA C 59.231 0.300 1 680 70 70 SER CB C 59.972 0.300 1 681 71 71 ASP H H 7.017 0.030 1 682 71 71 ASP HA H 4.471 0.030 1 683 71 71 ASP HB2 H 2.901 0.030 2 684 71 71 ASP HB3 H 2.265 0.030 2 685 71 71 ASP C C 175.635 0.300 1 686 71 71 ASP CA C 55.058 0.300 1 687 71 71 ASP CB C 39.605 0.300 1 688 71 71 ASP N N 122.521 0.300 1 689 72 72 VAL H H 8.126 0.030 1 690 72 72 VAL HA H 3.302 0.030 1 691 72 72 VAL HB H 1.952 0.030 1 692 72 72 VAL HG1 H 0.605 0.030 1 693 72 72 VAL HG2 H 0.668 0.030 1 694 72 72 VAL C C 175.070 0.300 1 695 72 72 VAL CA C 64.085 0.300 1 696 72 72 VAL CB C 28.732 0.300 1 697 72 72 VAL CG1 C 19.621 0.300 2 698 72 72 VAL CG2 C 21.538 0.300 2 699 72 72 VAL N N 120.196 0.300 1 700 73 73 GLU H H 7.664 0.030 1 701 73 73 GLU HA H 3.872 0.030 1 702 73 73 GLU HB2 H 1.943 0.030 1 703 73 73 GLU HB3 H 1.943 0.030 1 704 73 73 GLU HG2 H 2.215 0.030 1 705 73 73 GLU HG3 H 2.215 0.030 1 706 73 73 GLU C C 176.577 0.300 1 707 73 73 GLU CA C 56.727 0.300 1 708 73 73 GLU CB C 26.671 0.300 1 709 73 73 GLU CG C 33.186 0.300 1 710 73 73 GLU N N 117.949 0.300 1 711 74 74 LYS H H 7.263 0.030 1 712 74 74 LYS HA H 3.898 0.030 1 713 74 74 LYS HB2 H 1.887 0.030 1 714 74 74 LYS HB3 H 1.887 0.030 1 715 74 74 LYS HD2 H 1.659 0.030 1 716 74 74 LYS HD3 H 1.659 0.030 1 717 74 74 LYS HE2 H 2.893 0.030 1 718 74 74 LYS HE3 H 2.893 0.030 1 719 74 74 LYS HG2 H 1.509 0.030 2 720 74 74 LYS HG3 H 1.354 0.030 2 721 74 74 LYS C C 176.466 0.300 1 722 74 74 LYS CA C 57.529 0.300 1 723 74 74 LYS CB C 30.830 0.300 1 724 74 74 LYS CD C 27.772 0.300 1 725 74 74 LYS CE C 39.860 0.300 1 726 74 74 LYS CG C 22.967 0.300 1 727 74 74 LYS N N 119.615 0.300 1 728 75 75 ALA H H 8.224 0.030 1 729 75 75 ALA HA H 3.998 0.030 1 730 75 75 ALA HB H 1.272 0.030 1 731 75 75 ALA C C 176.415 0.300 1 732 75 75 ALA CA C 53.029 0.300 1 733 75 75 ALA CB C 16.820 0.300 1 734 75 75 ALA N N 122.074 0.300 1 735 76 76 LYS H H 8.588 0.030 1 736 76 76 LYS HA H 3.440 0.030 1 737 76 76 LYS HB2 H 1.904 0.030 2 738 76 76 LYS HB3 H 1.539 0.030 2 739 76 76 LYS HD2 H 1.491 0.030 1 740 76 76 LYS HD3 H 1.491 0.030 1 741 76 76 LYS HE2 H 2.750 0.030 2 742 76 76 LYS HE3 H 2.806 0.030 2 743 76 76 LYS HG2 H 1.134 0.030 1 744 76 76 LYS HG3 H 1.134 0.030 1 745 76 76 LYS C C 174.991 0.300 1 746 76 76 LYS CA C 57.933 0.300 1 747 76 76 LYS CB C 30.063 0.300 1 748 76 76 LYS CD C 27.583 0.300 1 749 76 76 LYS CE C 39.417 0.300 1 750 76 76 LYS CG C 22.373 0.300 1 751 76 76 LYS N N 118.778 0.300 1 752 77 77 LYS H H 7.540 0.030 1 753 77 77 LYS HA H 3.823 0.030 1 754 77 77 LYS HB2 H 1.817 0.030 2 755 77 77 LYS HB3 H 1.899 0.030 2 756 77 77 LYS HD2 H 1.593 0.030 1 757 77 77 LYS HD3 H 1.593 0.030 1 758 77 77 LYS HE2 H 2.861 0.030 1 759 77 77 LYS HE3 H 2.861 0.030 1 760 77 77 LYS HG2 H 1.296 0.030 2 761 77 77 LYS HG3 H 1.518 0.030 2 762 77 77 LYS C C 177.380 0.300 1 763 77 77 LYS CA C 57.434 0.300 1 764 77 77 LYS CB C 30.078 0.300 1 765 77 77 LYS CD C 27.165 0.300 1 766 77 77 LYS CE C 39.613 0.300 1 767 77 77 LYS CG C 23.126 0.300 1 768 77 77 LYS N N 116.329 0.300 1 769 78 78 GLN H H 7.908 0.030 1 770 78 78 GLN HA H 4.055 0.030 1 771 78 78 GLN HB2 H 1.945 0.030 2 772 78 78 GLN HB3 H 1.994 0.030 2 773 78 78 GLN HE21 H 6.954 0.030 2 774 78 78 GLN HE22 H 6.553 0.030 2 775 78 78 GLN HG2 H 2.218 0.030 2 776 78 78 GLN HG3 H 2.403 0.030 2 777 78 78 GLN C C 176.630 0.300 1 778 78 78 GLN CA C 57.105 0.300 1 779 78 78 GLN CB C 26.129 0.300 1 780 78 78 GLN CG C 31.510 0.300 1 781 78 78 GLN N N 118.433 0.300 1 782 78 78 GLN NE2 N 108.556 0.300 1 783 79 79 LEU H H 8.721 0.030 1 784 79 79 LEU HA H 3.911 0.030 1 785 79 79 LEU HB2 H 1.497 0.030 2 786 79 79 LEU HB3 H 1.561 0.030 2 787 79 79 LEU HD1 H 0.725 0.030 1 788 79 79 LEU HD2 H 0.653 0.030 1 789 79 79 LEU HG H 1.576 0.030 1 790 79 79 LEU C C 176.050 0.300 1 791 79 79 LEU CA C 55.825 0.300 1 792 79 79 LEU CB C 39.860 0.300 1 793 79 79 LEU CD1 C 22.561 0.300 2 794 79 79 LEU CD2 C 23.063 0.300 2 795 79 79 LEU CG C 24.604 0.300 1 796 79 79 LEU N N 120.359 0.300 1 797 80 80 LEU H H 8.180 0.030 1 798 80 80 LEU HA H 3.924 0.030 1 799 80 80 LEU HB2 H 1.787 0.030 2 800 80 80 LEU HB3 H 1.374 0.030 2 801 80 80 LEU HD1 H 0.719 0.030 1 802 80 80 LEU HD2 H 0.767 0.030 1 803 80 80 LEU HG H 1.657 0.030 1 804 80 80 LEU C C 177.735 0.300 1 805 80 80 LEU CA C 55.530 0.300 1 806 80 80 LEU CB C 38.746 0.300 1 807 80 80 LEU CD1 C 20.023 0.300 2 808 80 80 LEU CD2 C 23.352 0.300 2 809 80 80 LEU CG C 24.893 0.300 1 810 80 80 LEU N N 116.890 0.300 1 811 81 81 HIS H H 7.891 0.030 1 812 81 81 HIS HA H 4.346 0.030 1 813 81 81 HIS HB2 H 3.142 0.030 2 814 81 81 HIS HB3 H 3.210 0.030 2 815 81 81 HIS HD2 H 6.943 0.030 1 816 81 81 HIS HE1 H 7.896 0.030 1 817 81 81 HIS C C 175.339 0.300 1 818 81 81 HIS CA C 57.017 0.300 1 819 81 81 HIS CB C 27.187 0.300 1 820 81 81 HIS CD2 C 118.082 0.300 1 821 81 81 HIS CE1 C 135.662 0.300 1 822 81 81 HIS N N 118.725 0.300 1 823 82 82 LEU H H 7.982 0.030 1 824 82 82 LEU HA H 3.932 0.030 1 825 82 82 LEU HB2 H 1.795 0.030 2 826 82 82 LEU HB3 H 1.458 0.030 2 827 82 82 LEU HD1 H 0.862 0.030 1 828 82 82 LEU HD2 H 0.825 0.030 1 829 82 82 LEU HG H 1.714 0.030 1 830 82 82 LEU C C 176.582 0.300 1 831 82 82 LEU CA C 55.103 0.300 1 832 82 82 LEU CB C 39.942 0.300 1 833 82 82 LEU CD1 C 23.158 0.300 2 834 82 82 LEU CD2 C 21.706 0.300 2 835 82 82 LEU CG C 24.606 0.300 1 836 82 82 LEU N N 119.800 0.300 1 837 83 83 ALA H H 8.163 0.030 1 838 83 83 ALA HA H 3.913 0.030 1 839 83 83 ALA HB H 1.395 0.030 1 840 83 83 ALA C C 176.069 0.300 1 841 83 83 ALA CA C 52.164 0.300 1 842 83 83 ALA CB C 16.243 0.300 1 843 83 83 ALA N N 119.548 0.300 1 844 84 84 GLU H H 7.593 0.030 1 845 84 84 GLU HA H 3.987 0.030 1 846 84 84 GLU HB2 H 1.997 0.030 1 847 84 84 GLU HB3 H 1.997 0.030 1 848 84 84 GLU HG2 H 2.283 0.030 2 849 84 84 GLU HG3 H 2.156 0.030 2 850 84 84 GLU C C 176.073 0.300 1 851 84 84 GLU CA C 55.913 0.300 1 852 84 84 GLU CB C 27.330 0.300 1 853 84 84 GLU CG C 33.925 0.300 1 854 84 84 GLU N N 117.675 0.300 1 855 85 85 GLU H H 7.899 0.030 1 856 85 85 GLU HA H 3.978 0.030 1 857 85 85 GLU HB2 H 1.933 0.030 1 858 85 85 GLU HB3 H 1.933 0.030 1 859 85 85 GLU HG2 H 2.138 0.030 2 860 85 85 GLU HG3 H 2.009 0.030 2 861 85 85 GLU C C 175.752 0.300 1 862 85 85 GLU CA C 55.984 0.300 1 863 85 85 GLU CB C 27.651 0.300 1 864 85 85 GLU CG C 34.172 0.300 1 865 85 85 GLU N N 120.611 0.300 1 866 86 86 LYS H H 8.045 0.030 1 867 86 86 LYS HA H 4.142 0.030 1 868 86 86 LYS HB2 H 1.748 0.030 2 869 86 86 LYS HB3 H 1.794 0.030 2 870 86 86 LYS HD2 H 1.559 0.030 2 871 86 86 LYS HD3 H 1.486 0.030 2 872 86 86 LYS HE2 H 2.811 0.030 1 873 86 86 LYS HE3 H 2.811 0.030 1 874 86 86 LYS HG2 H 1.333 0.030 2 875 86 86 LYS HG3 H 1.449 0.030 2 876 86 86 LYS C C 175.054 0.300 1 877 86 86 LYS CA C 54.145 0.300 1 878 86 86 LYS CB C 30.034 0.300 1 879 86 86 LYS CD C 26.115 0.300 1 880 86 86 LYS CE C 39.778 0.300 1 881 86 86 LYS CG C 22.537 0.300 1 882 86 86 LYS N N 118.467 0.300 1 883 87 87 GLN H H 7.971 0.030 1 884 87 87 GLN HA H 4.227 0.030 1 885 87 87 GLN HB2 H 2.056 0.030 2 886 87 87 GLN HB3 H 1.982 0.030 2 887 87 87 GLN HE21 H 7.317 0.030 2 888 87 87 GLN HE22 H 6.782 0.030 2 889 87 87 GLN HG2 H 2.332 0.030 2 890 87 87 GLN HG3 H 2.272 0.030 2 891 87 87 GLN C C 174.201 0.300 1 892 87 87 GLN CA C 54.303 0.300 1 893 87 87 GLN CB C 27.289 0.300 1 894 87 87 GLN CG C 31.864 0.300 1 895 87 87 GLN N N 119.213 0.300 1 896 87 87 GLN NE2 N 111.450 0.300 1 897 88 88 THR H H 7.982 0.030 1 898 88 88 THR HA H 4.182 0.030 1 899 88 88 THR HB H 4.128 0.030 1 900 88 88 THR HG2 H 1.131 0.030 1 901 88 88 THR C C 172.399 0.300 1 902 88 88 THR CA C 60.317 0.300 1 903 88 88 THR CB C 67.487 0.300 1 904 88 88 THR CG2 C 19.288 0.300 1 905 88 88 THR N N 114.518 0.300 1 906 89 89 LYS H H 8.170 0.030 1 907 89 89 LYS HA H 4.305 0.030 1 908 89 89 LYS HB2 H 1.787 0.030 2 909 89 89 LYS HB3 H 1.683 0.030 2 910 89 89 LYS HD2 H 1.581 0.030 1 911 89 89 LYS HD3 H 1.581 0.030 1 912 89 89 LYS HE2 H 2.881 0.030 1 913 89 89 LYS HE3 H 2.881 0.030 1 914 89 89 LYS HG2 H 1.368 0.030 2 915 89 89 LYS HG3 H 1.329 0.030 2 916 89 89 LYS C C 174.138 0.300 1 917 89 89 LYS CA C 53.950 0.300 1 918 89 89 LYS CB C 30.558 0.300 1 919 89 89 LYS CD C 26.671 0.300 1 920 89 89 LYS CE C 39.860 0.300 1 921 89 89 LYS CG C 22.302 0.300 1 922 89 89 LYS N N 123.170 0.300 1 923 90 90 SER H H 8.182 0.030 1 924 90 90 SER HA H 4.396 0.030 1 925 90 90 SER HB2 H 3.779 0.030 1 926 90 90 SER HB3 H 3.779 0.030 1 927 90 90 SER C C 172.185 0.300 1 928 90 90 SER CA C 56.019 0.300 1 929 90 90 SER CB C 61.704 0.300 1 930 90 90 SER N N 116.569 0.300 1 931 91 91 GLY H H 8.145 0.030 1 932 91 91 GLY HA2 H 4.056 0.030 2 933 91 91 GLY HA3 H 4.010 0.030 2 934 91 91 GLY C C 169.460 0.300 1 935 91 91 GLY CA C 42.324 0.300 1 936 91 91 GLY N N 110.313 0.300 1 937 92 92 PRO HA H 4.382 0.030 1 938 92 92 PRO HB2 H 2.199 0.030 2 939 92 92 PRO HB3 H 1.877 0.030 2 940 92 92 PRO HD2 H 3.532 0.030 1 941 92 92 PRO HD3 H 3.532 0.030 1 942 92 92 PRO HG2 H 1.918 0.030 1 943 92 92 PRO HG3 H 1.918 0.030 1 944 92 92 PRO CA C 60.925 0.300 1 945 92 92 PRO CB C 29.836 0.300 1 946 92 92 PRO CD C 47.442 0.300 1 947 92 92 PRO CG C 24.798 0.300 1 948 94 94 SER HA H 4.396 0.030 1 949 94 94 SER HB2 H 3.779 0.030 1 950 94 94 SER HB3 H 3.779 0.030 1 951 94 94 SER C C 171.585 0.300 1 952 94 94 SER CA C 55.949 0.300 1 953 94 94 SER CB C 61.539 0.300 1 954 95 95 GLY H H 7.954 0.030 1 955 95 95 GLY HA2 H 3.642 0.030 2 956 95 95 GLY HA3 H 3.690 0.030 2 957 95 95 GLY C C 176.649 0.300 1 958 95 95 GLY CA C 43.860 0.300 1 959 95 95 GLY N N 116.460 0.300 1 stop_ save_