data_11139 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the 1st KH type I domain from human Vigilin ; _BMRB_accession_number 11139 _BMRB_flat_file_name bmr11139.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" 531 "13C chemical shifts" 390 "15N chemical shifts" 89 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 1st 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 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 94 _Mol_residue_sequence ; GSSGSSGDIVARLQTQASAT VAIPKEHHRFVIGKNGEKLQ DLELKTATKIQIPRPDDPSN QIKITGTKEGIEKARHEVLL ISAEQDKRSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ASP 9 ILE 10 VAL 11 ALA 12 ARG 13 LEU 14 GLN 15 THR 16 GLN 17 ALA 18 SER 19 ALA 20 THR 21 VAL 22 ALA 23 ILE 24 PRO 25 LYS 26 GLU 27 HIS 28 HIS 29 ARG 30 PHE 31 VAL 32 ILE 33 GLY 34 LYS 35 ASN 36 GLY 37 GLU 38 LYS 39 LEU 40 GLN 41 ASP 42 LEU 43 GLU 44 LEU 45 LYS 46 THR 47 ALA 48 THR 49 LYS 50 ILE 51 GLN 52 ILE 53 PRO 54 ARG 55 PRO 56 ASP 57 ASP 58 PRO 59 SER 60 ASN 61 GLN 62 ILE 63 LYS 64 ILE 65 THR 66 GLY 67 THR 68 LYS 69 GLU 70 GLY 71 ILE 72 GLU 73 LYS 74 ALA 75 ARG 76 HIS 77 GLU 78 VAL 79 LEU 80 LEU 81 ILE 82 SER 83 ALA 84 GLU 85 GLN 86 ASP 87 LYS 88 ARG 89 SER 90 GLY 91 PRO 92 SER 93 SER 94 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 2CTE "Solution Structure Of The 1st Kh Type I Domain From Human Vigilin" 100.00 94 100.00 100.00 4.44e-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 . P050131-12 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.05mM 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 1.05 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 3.5 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 'obayashi, 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 3.746 0.030 1 2 1 1 GLY HA3 H 3.746 0.030 1 3 1 1 GLY CA C 41.409 0.300 1 4 6 6 SER HA H 4.347 0.030 1 5 6 6 SER HB2 H 3.798 0.030 1 6 6 6 SER HB3 H 3.798 0.030 1 7 6 6 SER C C 172.789 0.300 1 8 6 6 SER CA C 56.554 0.300 1 9 6 6 SER CB C 61.375 0.300 1 10 7 7 GLY H H 8.311 0.030 1 11 7 7 GLY HA2 H 3.852 0.030 1 12 7 7 GLY HA3 H 3.852 0.030 1 13 7 7 GLY C C 171.716 0.300 1 14 7 7 GLY CA C 43.090 0.300 1 15 7 7 GLY N N 110.103 0.300 1 16 8 8 ASP H H 8.071 0.030 1 17 8 8 ASP HA H 4.478 0.030 1 18 8 8 ASP HB2 H 2.570 0.030 2 19 8 8 ASP HB3 H 2.486 0.030 2 20 8 8 ASP C C 174.113 0.300 1 21 8 8 ASP CA C 52.229 0.300 1 22 8 8 ASP CB C 38.768 0.300 1 23 8 8 ASP N N 120.282 0.300 1 24 9 9 ILE H H 7.977 0.030 1 25 9 9 ILE HA H 3.973 0.030 1 26 9 9 ILE HB H 1.782 0.030 1 27 9 9 ILE HD1 H 0.748 0.030 1 28 9 9 ILE HG12 H 1.376 0.030 2 29 9 9 ILE HG13 H 1.091 0.030 2 30 9 9 ILE HG2 H 0.788 0.030 1 31 9 9 ILE C C 174.249 0.300 1 32 9 9 ILE CA C 59.509 0.300 1 33 9 9 ILE CB C 36.088 0.300 1 34 9 9 ILE CD1 C 10.572 0.300 1 35 9 9 ILE CG1 C 25.144 0.300 1 36 9 9 ILE CG2 C 15.158 0.300 1 37 9 9 ILE N N 120.611 0.300 1 38 10 10 VAL H H 7.965 0.030 1 39 10 10 VAL HA H 3.872 0.030 1 40 10 10 VAL HB H 1.951 0.030 1 41 10 10 VAL HG1 H 0.839 0.030 1 42 10 10 VAL HG2 H 0.811 0.030 1 43 10 10 VAL C C 174.020 0.300 1 44 10 10 VAL CA C 60.730 0.300 1 45 10 10 VAL CB C 30.018 0.300 1 46 10 10 VAL CG1 C 18.708 0.300 2 47 10 10 VAL CG2 C 18.793 0.300 2 48 10 10 VAL N N 123.300 0.300 1 49 11 11 ALA H H 8.141 0.030 1 50 11 11 ALA HA H 4.147 0.030 1 51 11 11 ALA HB H 1.279 0.030 1 52 11 11 ALA C C 175.788 0.300 1 53 11 11 ALA CA C 50.624 0.300 1 54 11 11 ALA CB C 16.601 0.300 1 55 11 11 ALA N N 126.415 0.300 1 56 12 12 ARG H H 8.068 0.030 1 57 12 12 ARG HA H 4.172 0.030 1 58 12 12 ARG HB2 H 1.679 0.030 2 59 12 12 ARG HB3 H 1.741 0.030 2 60 12 12 ARG HD2 H 3.087 0.030 1 61 12 12 ARG HD3 H 3.087 0.030 1 62 12 12 ARG HG2 H 1.550 0.030 2 63 12 12 ARG HG3 H 1.508 0.030 2 64 12 12 ARG C C 174.310 0.300 1 65 12 12 ARG CA C 54.148 0.300 1 66 12 12 ARG CB C 28.279 0.300 1 67 12 12 ARG CD C 41.053 0.300 1 68 12 12 ARG CG C 24.767 0.300 1 69 12 12 ARG N N 119.316 0.300 1 70 13 13 LEU H H 8.072 0.030 1 71 13 13 LEU HA H 4.218 0.030 1 72 13 13 LEU HB2 H 1.594 0.030 2 73 13 13 LEU HB3 H 1.479 0.030 2 74 13 13 LEU HD1 H 0.814 0.030 1 75 13 13 LEU HD2 H 0.756 0.030 1 76 13 13 LEU HG H 1.551 0.030 1 77 13 13 LEU C C 175.301 0.300 1 78 13 13 LEU CA C 53.136 0.300 1 79 13 13 LEU CB C 39.942 0.300 1 80 13 13 LEU CD1 C 22.597 0.300 2 81 13 13 LEU CD2 C 21.014 0.300 2 82 13 13 LEU CG C 24.569 0.300 1 83 13 13 LEU N N 122.006 0.300 1 84 14 14 GLN H H 8.238 0.030 1 85 14 14 GLN HA H 4.307 0.030 1 86 14 14 GLN HB2 H 1.925 0.030 2 87 14 14 GLN HB3 H 2.061 0.030 2 88 14 14 GLN HE21 H 6.820 0.030 2 89 14 14 GLN HE22 H 7.459 0.030 2 90 14 14 GLN HG2 H 2.308 0.030 1 91 14 14 GLN HG3 H 2.308 0.030 1 92 14 14 GLN C C 173.784 0.300 1 93 14 14 GLN CA C 53.615 0.300 1 94 14 14 GLN CB C 27.033 0.300 1 95 14 14 GLN CG C 31.617 0.300 1 96 14 14 GLN N N 120.272 0.300 1 97 14 14 GLN NE2 N 112.173 0.300 1 98 15 15 THR H H 7.987 0.030 1 99 15 15 THR HA H 4.189 0.030 1 100 15 15 THR HB H 4.132 0.030 1 101 15 15 THR HG2 H 1.125 0.030 1 102 15 15 THR C C 172.003 0.300 1 103 15 15 THR CA C 59.769 0.300 1 104 15 15 THR CB C 67.465 0.300 1 105 15 15 THR CG2 C 19.473 0.300 1 106 15 15 THR N N 114.422 0.300 1 107 16 16 GLN H H 8.187 0.030 1 108 16 16 GLN HA H 4.250 0.030 1 109 16 16 GLN HB2 H 1.823 0.030 2 110 16 16 GLN HB3 H 1.957 0.030 2 111 16 16 GLN HE21 H 6.753 0.030 2 112 16 16 GLN HE22 H 7.413 0.030 2 113 16 16 GLN HG2 H 2.170 0.030 2 114 16 16 GLN HG3 H 2.243 0.030 2 115 16 16 GLN C C 172.561 0.300 1 116 16 16 GLN CA C 53.349 0.300 1 117 16 16 GLN CB C 27.900 0.300 1 118 16 16 GLN CG C 31.864 0.300 1 119 16 16 GLN N N 122.388 0.300 1 120 16 16 GLN NE2 N 111.874 0.300 1 121 17 17 ALA H H 8.586 0.030 1 122 17 17 ALA HA H 4.498 0.030 1 123 17 17 ALA HB H 1.293 0.030 1 124 17 17 ALA C C 172.789 0.300 1 125 17 17 ALA CA C 49.121 0.300 1 126 17 17 ALA CB C 18.644 0.300 1 127 17 17 ALA N N 126.700 0.300 1 128 18 18 SER H H 7.951 0.030 1 129 18 18 SER HA H 5.526 0.030 1 130 18 18 SER HB2 H 3.605 0.030 2 131 18 18 SER HB3 H 3.502 0.030 2 132 18 18 SER C C 171.078 0.300 1 133 18 18 SER CA C 54.855 0.300 1 134 18 18 SER CB C 64.286 0.300 1 135 18 18 SER N N 110.631 0.300 1 136 19 19 ALA H H 9.060 0.030 1 137 19 19 ALA HA H 4.649 0.030 1 138 19 19 ALA HB H 1.259 0.030 1 139 19 19 ALA C C 173.355 0.300 1 140 19 19 ALA CA C 48.886 0.300 1 141 19 19 ALA CB C 21.261 0.300 1 142 19 19 ALA N N 124.690 0.300 1 143 20 20 THR H H 8.283 0.030 1 144 20 20 THR HA H 5.327 0.030 1 145 20 20 THR HB H 3.814 0.030 1 146 20 20 THR HG2 H 0.943 0.030 1 147 20 20 THR C C 171.988 0.300 1 148 20 20 THR CA C 57.738 0.300 1 149 20 20 THR CB C 69.081 0.300 1 150 20 20 THR CG2 C 19.440 0.300 1 151 20 20 THR N N 111.522 0.300 1 152 21 21 VAL H H 9.062 0.030 1 153 21 21 VAL HA H 4.341 0.030 1 154 21 21 VAL HB H 1.747 0.030 1 155 21 21 VAL HG1 H 0.747 0.030 1 156 21 21 VAL HG2 H 0.760 0.030 1 157 21 21 VAL C C 170.074 0.300 1 158 21 21 VAL CA C 57.679 0.300 1 159 21 21 VAL CB C 32.812 0.300 1 160 21 21 VAL CG1 C 18.278 0.300 2 161 21 21 VAL CG2 C 18.947 0.300 2 162 21 21 VAL N N 122.718 0.300 1 163 22 22 ALA H H 8.459 0.030 1 164 22 22 ALA HA H 4.742 0.030 1 165 22 22 ALA HB H 1.142 0.030 1 166 22 22 ALA C C 174.118 0.300 1 167 22 22 ALA CA C 48.874 0.300 1 168 22 22 ALA CB C 17.158 0.300 1 169 22 22 ALA N N 130.288 0.300 1 170 23 23 ILE H H 7.642 0.030 1 171 23 23 ILE HA H 4.668 0.030 1 172 23 23 ILE HB H 2.049 0.030 1 173 23 23 ILE HD1 H 0.662 0.030 1 174 23 23 ILE HG12 H 1.385 0.030 2 175 23 23 ILE HG13 H 0.837 0.030 2 176 23 23 ILE HG2 H 0.886 0.030 1 177 23 23 ILE C C 169.970 0.300 1 178 23 23 ILE CA C 55.184 0.300 1 179 23 23 ILE CB C 37.115 0.300 1 180 23 23 ILE CD1 C 11.367 0.300 1 181 23 23 ILE CG1 C 22.954 0.300 1 182 23 23 ILE CG2 C 16.067 0.300 1 183 23 23 ILE N N 116.985 0.300 1 184 24 24 PRO HA H 4.011 0.030 1 185 24 24 PRO HB2 H 1.911 0.030 2 186 24 24 PRO HB3 H 0.599 0.030 2 187 24 24 PRO HD2 H 3.542 0.030 2 188 24 24 PRO HD3 H 3.617 0.030 2 189 24 24 PRO HG2 H 1.668 0.030 1 190 24 24 PRO HG3 H 1.668 0.030 1 191 24 24 PRO CA C 61.374 0.300 1 192 24 24 PRO CB C 29.013 0.300 1 193 24 24 PRO CD C 47.845 0.300 1 194 24 24 PRO CG C 25.780 0.300 1 195 25 25 LYS H H 8.661 0.030 1 196 25 25 LYS HA H 2.653 0.030 1 197 25 25 LYS HB2 H 1.682 0.030 2 198 25 25 LYS HB3 H 1.478 0.030 2 199 25 25 LYS HD2 H 1.089 0.030 1 200 25 25 LYS HD3 H 1.089 0.030 1 201 25 25 LYS HE2 H 2.923 0.030 2 202 25 25 LYS HE3 H 2.753 0.030 2 203 25 25 LYS HG2 H 1.031 0.030 2 204 25 25 LYS HG3 H 1.173 0.030 2 205 25 25 LYS C C 176.760 0.300 1 206 25 25 LYS CA C 55.967 0.300 1 207 25 25 LYS CB C 31.070 0.300 1 208 25 25 LYS CD C 26.713 0.300 1 209 25 25 LYS CE C 40.767 0.300 1 210 25 25 LYS CG C 21.890 0.300 1 211 25 25 LYS N N 126.975 0.300 1 212 26 26 GLU H H 9.643 0.030 1 213 26 26 GLU HA H 4.103 0.030 1 214 26 26 GLU HB2 H 2.002 0.030 1 215 26 26 GLU HB3 H 2.002 0.030 1 216 26 26 GLU HG2 H 2.248 0.030 2 217 26 26 GLU HG3 H 2.077 0.030 2 218 26 26 GLU C C 174.510 0.300 1 219 26 26 GLU CA C 56.206 0.300 1 220 26 26 GLU CB C 26.011 0.300 1 221 26 26 GLU CG C 33.789 0.300 1 222 26 26 GLU N N 116.804 0.300 1 223 27 27 HIS H H 8.402 0.030 1 224 27 27 HIS HA H 5.188 0.030 1 225 27 27 HIS HB2 H 3.405 0.030 2 226 27 27 HIS HB3 H 3.131 0.030 2 227 27 27 HIS HD2 H 6.708 0.030 1 228 27 27 HIS HE1 H 7.733 0.030 1 229 27 27 HIS C C 176.108 0.300 1 230 27 27 HIS CA C 51.846 0.300 1 231 27 27 HIS CB C 30.092 0.300 1 232 27 27 HIS CD2 C 112.160 0.300 1 233 27 27 HIS CE1 C 137.946 0.300 1 234 27 27 HIS N N 115.629 0.300 1 235 28 28 HIS H H 8.327 0.030 1 236 28 28 HIS HA H 4.020 0.030 1 237 28 28 HIS HB2 H 3.305 0.030 2 238 28 28 HIS HB3 H 2.883 0.030 2 239 28 28 HIS HD2 H 6.808 0.030 1 240 28 28 HIS HE1 H 7.099 0.030 1 241 28 28 HIS C C 176.197 0.300 1 242 28 28 HIS CA C 58.442 0.300 1 243 28 28 HIS CB C 28.545 0.300 1 244 28 28 HIS CD2 C 114.717 0.300 1 245 28 28 HIS CE1 C 134.101 0.300 1 246 28 28 HIS N N 121.558 0.300 1 247 29 29 ARG H H 8.543 0.030 1 248 29 29 ARG HA H 4.008 0.030 1 249 29 29 ARG HB2 H 1.573 0.030 2 250 29 29 ARG HB3 H 1.490 0.030 2 251 29 29 ARG HD2 H 2.808 0.030 1 252 29 29 ARG HD3 H 2.808 0.030 1 253 29 29 ARG HG2 H 1.104 0.030 2 254 29 29 ARG HG3 H 0.296 0.030 2 255 29 29 ARG C C 175.447 0.300 1 256 29 29 ARG CA C 56.037 0.300 1 257 29 29 ARG CB C 26.233 0.300 1 258 29 29 ARG CD C 41.024 0.300 1 259 29 29 ARG CG C 22.879 0.300 1 260 29 29 ARG N N 114.852 0.300 1 261 30 30 PHE H H 7.377 0.030 1 262 30 30 PHE HA H 4.244 0.030 1 263 30 30 PHE HB2 H 3.091 0.030 2 264 30 30 PHE HB3 H 2.676 0.030 2 265 30 30 PHE HD1 H 7.141 0.030 1 266 30 30 PHE HD2 H 7.141 0.030 1 267 30 30 PHE HE1 H 7.280 0.030 1 268 30 30 PHE HE2 H 7.280 0.030 1 269 30 30 PHE HZ H 7.197 0.030 1 270 30 30 PHE C C 173.798 0.300 1 271 30 30 PHE CA C 57.523 0.300 1 272 30 30 PHE CB C 36.293 0.300 1 273 30 30 PHE CD1 C 128.725 0.300 1 274 30 30 PHE CD2 C 128.725 0.300 1 275 30 30 PHE CE1 C 129.482 0.300 1 276 30 30 PHE CE2 C 129.482 0.300 1 277 30 30 PHE CZ C 127.866 0.300 1 278 30 30 PHE N N 120.032 0.300 1 279 31 31 VAL H H 7.373 0.030 1 280 31 31 VAL HA H 3.569 0.030 1 281 31 31 VAL HB H 2.102 0.030 1 282 31 31 VAL HG1 H 0.700 0.030 1 283 31 31 VAL HG2 H 0.830 0.030 1 284 31 31 VAL C C 171.907 0.300 1 285 31 31 VAL CA C 62.116 0.300 1 286 31 31 VAL CB C 29.202 0.300 1 287 31 31 VAL CG1 C 20.159 0.300 2 288 31 31 VAL CG2 C 20.245 0.300 2 289 31 31 VAL N N 119.200 0.300 1 290 32 32 ILE H H 6.831 0.030 1 291 32 32 ILE HA H 3.666 0.030 1 292 32 32 ILE HB H 1.626 0.030 1 293 32 32 ILE HD1 H 0.781 0.030 1 294 32 32 ILE HG12 H 0.888 0.030 2 295 32 32 ILE HG13 H 1.658 0.030 2 296 32 32 ILE HG2 H 1.016 0.030 1 297 32 32 ILE C C 176.735 0.300 1 298 32 32 ILE CA C 62.404 0.300 1 299 32 32 ILE CB C 37.608 0.300 1 300 32 32 ILE CD1 C 11.386 0.300 1 301 32 32 ILE CG1 C 27.012 0.300 1 302 32 32 ILE CG2 C 15.642 0.300 1 303 32 32 ILE N N 113.792 0.300 1 304 33 33 GLY H H 7.458 0.030 1 305 33 33 GLY HA2 H 4.061 0.030 2 306 33 33 GLY HA3 H 3.729 0.030 2 307 33 33 GLY C C 171.618 0.300 1 308 33 33 GLY CA C 41.392 0.300 1 309 33 33 GLY N N 103.336 0.300 1 310 34 34 LYS H H 8.962 0.030 1 311 34 34 LYS HA H 3.948 0.030 1 312 34 34 LYS HB2 H 1.702 0.030 1 313 34 34 LYS HB3 H 1.702 0.030 1 314 34 34 LYS HD2 H 1.585 0.030 1 315 34 34 LYS HD3 H 1.585 0.030 1 316 34 34 LYS HE2 H 2.890 0.030 1 317 34 34 LYS HE3 H 2.890 0.030 1 318 34 34 LYS HG2 H 1.252 0.030 2 319 34 34 LYS HG3 H 1.356 0.030 2 320 34 34 LYS C C 175.799 0.300 1 321 34 34 LYS CA C 56.019 0.300 1 322 34 34 LYS CB C 29.721 0.300 1 323 34 34 LYS CD C 27.042 0.300 1 324 34 34 LYS CE C 39.592 0.300 1 325 34 34 LYS CG C 22.213 0.300 1 326 34 34 LYS N N 123.060 0.300 1 327 35 35 ASN HA H 4.525 0.030 1 328 35 35 ASN HB2 H 2.982 0.030 2 329 35 35 ASN HB3 H 2.725 0.030 2 330 35 35 ASN HD21 H 6.860 0.030 2 331 35 35 ASN HD22 H 7.678 0.030 2 332 35 35 ASN C C 173.142 0.300 1 333 35 35 ASN CA C 51.439 0.300 1 334 35 35 ASN CB C 36.276 0.300 1 335 35 35 ASN ND2 N 113.414 0.300 1 336 36 36 GLY H H 7.339 0.030 1 337 36 36 GLY HA2 H 3.781 0.030 2 338 36 36 GLY HA3 H 4.017 0.030 2 339 36 36 GLY C C 174.002 0.300 1 340 36 36 GLY CA C 43.992 0.300 1 341 36 36 GLY N N 104.581 0.300 1 342 37 37 GLU HA H 3.961 0.030 1 343 37 37 GLU HB2 H 2.019 0.030 1 344 37 37 GLU HB3 H 2.019 0.030 1 345 37 37 GLU HG2 H 2.328 0.030 1 346 37 37 GLU HG3 H 2.328 0.030 1 347 37 37 GLU C C 176.176 0.300 1 348 37 37 GLU CA C 56.868 0.300 1 349 37 37 GLU CB C 26.753 0.300 1 350 37 37 GLU CG C 33.911 0.300 1 351 38 38 LYS H H 7.486 0.030 1 352 38 38 LYS HA H 4.208 0.030 1 353 38 38 LYS HB2 H 1.594 0.030 2 354 38 38 LYS HB3 H 1.538 0.030 2 355 38 38 LYS HD2 H 1.727 0.030 2 356 38 38 LYS HD3 H 1.670 0.030 2 357 38 38 LYS HE2 H 2.812 0.030 2 358 38 38 LYS HE3 H 2.917 0.030 2 359 38 38 LYS HG2 H 1.407 0.030 2 360 38 38 LYS HG3 H 1.525 0.030 2 361 38 38 LYS C C 175.657 0.300 1 362 38 38 LYS CA C 55.431 0.300 1 363 38 38 LYS CB C 28.196 0.300 1 364 38 38 LYS CD C 25.847 0.300 1 365 38 38 LYS CE C 40.007 0.300 1 366 38 38 LYS CG C 21.868 0.300 1 367 38 38 LYS N N 121.650 0.300 1 368 39 39 LEU H H 7.393 0.030 1 369 39 39 LEU HA H 3.867 0.030 1 370 39 39 LEU HB2 H 1.782 0.030 2 371 39 39 LEU HB3 H 1.607 0.030 2 372 39 39 LEU HD1 H 0.782 0.030 1 373 39 39 LEU HD2 H 0.842 0.030 1 374 39 39 LEU HG H 1.434 0.030 1 375 39 39 LEU C C 175.701 0.300 1 376 39 39 LEU CA C 55.790 0.300 1 377 39 39 LEU CB C 40.590 0.300 1 378 39 39 LEU CD1 C 22.135 0.300 2 379 39 39 LEU CD2 C 23.603 0.300 2 380 39 39 LEU CG C 24.936 0.300 1 381 39 39 LEU N N 123.118 0.300 1 382 40 40 GLN H H 7.698 0.030 1 383 40 40 GLN HA H 4.072 0.030 1 384 40 40 GLN HB2 H 2.022 0.030 1 385 40 40 GLN HB3 H 2.022 0.030 1 386 40 40 GLN HE21 H 6.781 0.030 2 387 40 40 GLN HE22 H 7.392 0.030 2 388 40 40 GLN HG2 H 2.328 0.030 2 389 40 40 GLN HG3 H 2.417 0.030 2 390 40 40 GLN C C 176.142 0.300 1 391 40 40 GLN CA C 56.603 0.300 1 392 40 40 GLN CB C 26.507 0.300 1 393 40 40 GLN CG C 31.836 0.300 1 394 40 40 GLN N N 115.476 0.300 1 395 40 40 GLN NE2 N 111.220 0.300 1 396 41 41 ASP H H 7.588 0.030 1 397 41 41 ASP HA H 4.368 0.030 1 398 41 41 ASP HB2 H 2.692 0.030 2 399 41 41 ASP HB3 H 2.768 0.030 2 400 41 41 ASP C C 175.643 0.300 1 401 41 41 ASP CA C 55.272 0.300 1 402 41 41 ASP CB C 39.675 0.300 1 403 41 41 ASP N N 118.932 0.300 1 404 42 42 LEU H H 8.308 0.030 1 405 42 42 LEU HA H 3.911 0.030 1 406 42 42 LEU HB2 H 1.762 0.030 2 407 42 42 LEU HB3 H 1.294 0.030 2 408 42 42 LEU HD1 H 0.735 0.030 1 409 42 42 LEU HD2 H 0.682 0.030 1 410 42 42 LEU HG H 1.561 0.030 1 411 42 42 LEU C C 178.632 0.300 1 412 42 42 LEU CA C 55.895 0.300 1 413 42 42 LEU CB C 40.268 0.300 1 414 42 42 LEU CD1 C 22.902 0.300 2 415 42 42 LEU CD2 C 22.296 0.300 2 416 42 42 LEU CG C 24.610 0.300 1 417 42 42 LEU N N 119.567 0.300 1 418 43 43 GLU H H 8.607 0.030 1 419 43 43 GLU HA H 3.708 0.030 1 420 43 43 GLU HB2 H 2.093 0.030 1 421 43 43 GLU HB3 H 2.093 0.030 1 422 43 43 GLU HG2 H 1.894 0.030 2 423 43 43 GLU HG3 H 2.554 0.030 2 424 43 43 GLU C C 177.314 0.300 1 425 43 43 GLU CA C 58.301 0.300 1 426 43 43 GLU CB C 28.051 0.300 1 427 43 43 GLU CG C 35.881 0.300 1 428 43 43 GLU N N 121.416 0.300 1 429 44 44 LEU H H 7.938 0.030 1 430 44 44 LEU HA H 4.098 0.030 1 431 44 44 LEU HB2 H 1.803 0.030 2 432 44 44 LEU HB3 H 1.692 0.030 2 433 44 44 LEU HD1 H 0.851 0.030 1 434 44 44 LEU HD2 H 0.850 0.030 1 435 44 44 LEU HG H 1.640 0.030 1 436 44 44 LEU C C 178.275 0.300 1 437 44 44 LEU CA C 55.524 0.300 1 438 44 44 LEU CB C 39.733 0.300 1 439 44 44 LEU CD1 C 22.143 0.300 2 440 44 44 LEU CD2 C 22.008 0.300 2 441 44 44 LEU CG C 24.775 0.300 1 442 44 44 LEU N N 118.476 0.300 1 443 45 45 LYS H H 8.421 0.030 1 444 45 45 LYS HA H 4.019 0.030 1 445 45 45 LYS HB2 H 1.914 0.030 2 446 45 45 LYS HB3 H 1.727 0.030 2 447 45 45 LYS HD2 H 1.504 0.030 1 448 45 45 LYS HD3 H 1.504 0.030 1 449 45 45 LYS HE2 H 2.818 0.030 1 450 45 45 LYS HE3 H 2.818 0.030 1 451 45 45 LYS HG2 H 1.432 0.030 1 452 45 45 LYS HG3 H 1.432 0.030 1 453 45 45 LYS C C 176.043 0.300 1 454 45 45 LYS CA C 56.514 0.300 1 455 45 45 LYS CB C 30.747 0.300 1 456 45 45 LYS CD C 26.798 0.300 1 457 45 45 LYS CE C 39.695 0.300 1 458 45 45 LYS CG C 23.279 0.300 1 459 45 45 LYS N N 117.159 0.300 1 460 46 46 THR H H 7.496 0.030 1 461 46 46 THR HA H 4.190 0.030 1 462 46 46 THR HB H 4.425 0.030 1 463 46 46 THR HG2 H 0.979 0.030 1 464 46 46 THR C C 171.374 0.300 1 465 46 46 THR CA C 59.680 0.300 1 466 46 46 THR CB C 68.002 0.300 1 467 46 46 THR CG2 C 19.473 0.300 1 468 46 46 THR N N 105.041 0.300 1 469 47 47 ALA H H 7.969 0.030 1 470 47 47 ALA HA H 4.122 0.030 1 471 47 47 ALA HB H 1.396 0.030 1 472 47 47 ALA C C 174.748 0.300 1 473 47 47 ALA CA C 50.554 0.300 1 474 47 47 ALA CB C 14.378 0.300 1 475 47 47 ALA N N 124.854 0.300 1 476 48 48 THR H H 7.673 0.030 1 477 48 48 THR HA H 4.925 0.030 1 478 48 48 THR HB H 3.719 0.030 1 479 48 48 THR HG2 H 0.721 0.030 1 480 48 48 THR C C 172.272 0.300 1 481 48 48 THR CA C 57.470 0.300 1 482 48 48 THR CB C 70.457 0.300 1 483 48 48 THR CG2 C 19.347 0.300 1 484 48 48 THR N N 108.169 0.300 1 485 49 49 LYS H H 8.227 0.030 1 486 49 49 LYS HA H 4.707 0.030 1 487 49 49 LYS HB2 H 1.541 0.030 2 488 49 49 LYS HB3 H 1.497 0.030 2 489 49 49 LYS HD2 H 1.573 0.030 1 490 49 49 LYS HD3 H 1.573 0.030 1 491 49 49 LYS HE2 H 2.813 0.030 2 492 49 49 LYS HE3 H 2.893 0.030 2 493 49 49 LYS HG2 H 1.246 0.030 1 494 49 49 LYS HG3 H 1.246 0.030 1 495 49 49 LYS C C 174.052 0.300 1 496 49 49 LYS CA C 51.236 0.300 1 497 49 49 LYS CB C 31.284 0.300 1 498 49 49 LYS CD C 25.682 0.300 1 499 49 49 LYS CE C 39.613 0.300 1 500 49 49 LYS CG C 21.708 0.300 1 501 49 49 LYS N N 116.309 0.300 1 502 50 50 ILE H H 10.100 0.030 1 503 50 50 ILE HA H 4.511 0.030 1 504 50 50 ILE HB H 1.529 0.030 1 505 50 50 ILE HD1 H 0.473 0.030 1 506 50 50 ILE HG12 H 1.533 0.030 2 507 50 50 ILE HG13 H 0.526 0.030 2 508 50 50 ILE HG2 H 0.386 0.030 1 509 50 50 ILE C C 172.101 0.300 1 510 50 50 ILE CA C 58.664 0.300 1 511 50 50 ILE CB C 36.937 0.300 1 512 50 50 ILE CD1 C 11.349 0.300 1 513 50 50 ILE CG1 C 25.970 0.300 1 514 50 50 ILE CG2 C 14.837 0.300 1 515 50 50 ILE N N 128.869 0.300 1 516 51 51 GLN H H 9.267 0.030 1 517 51 51 GLN HA H 4.454 0.030 1 518 51 51 GLN HB2 H 1.961 0.030 2 519 51 51 GLN HB3 H 1.796 0.030 2 520 51 51 GLN HE21 H 6.747 0.030 2 521 51 51 GLN HE22 H 7.438 0.030 2 522 51 51 GLN HG2 H 2.059 0.030 1 523 51 51 GLN HG3 H 2.059 0.030 1 524 51 51 GLN C C 171.997 0.300 1 525 51 51 GLN CA C 52.376 0.300 1 526 51 51 GLN CB C 28.451 0.300 1 527 51 51 GLN CG C 31.667 0.300 1 528 51 51 GLN N N 127.145 0.300 1 529 51 51 GLN NE2 N 111.748 0.300 1 530 52 52 ILE H H 8.681 0.030 1 531 52 52 ILE HA H 4.390 0.030 1 532 52 52 ILE HB H 1.710 0.030 1 533 52 52 ILE HD1 H 0.567 0.030 1 534 52 52 ILE HG12 H 1.329 0.030 2 535 52 52 ILE HG13 H 0.817 0.030 2 536 52 52 ILE HG2 H 0.915 0.030 1 537 52 52 ILE C C 171.840 0.300 1 538 52 52 ILE CA C 55.276 0.300 1 539 52 52 ILE CB C 36.771 0.300 1 540 52 52 ILE CD1 C 11.331 0.300 1 541 52 52 ILE CG1 C 25.905 0.300 1 542 52 52 ILE CG2 C 14.468 0.300 1 543 52 52 ILE N N 129.000 0.300 1 544 53 53 PRO HA H 4.505 0.030 1 545 53 53 PRO HB2 H 2.347 0.030 2 546 53 53 PRO HB3 H 1.671 0.030 2 547 53 53 PRO HD2 H 3.562 0.030 2 548 53 53 PRO HD3 H 4.015 0.030 2 549 53 53 PRO HG2 H 1.919 0.030 2 550 53 53 PRO HG3 H 1.997 0.030 2 551 53 53 PRO C C 174.622 0.300 1 552 53 53 PRO CA C 60.459 0.300 1 553 53 53 PRO CB C 30.100 0.300 1 554 53 53 PRO CD C 49.675 0.300 1 555 53 53 PRO CG C 25.889 0.300 1 556 54 54 ARG H H 9.152 0.030 1 557 54 54 ARG HA H 4.341 0.030 1 558 54 54 ARG HB2 H 1.625 0.030 2 559 54 54 ARG HB3 H 1.994 0.030 2 560 54 54 ARG HD2 H 3.238 0.030 1 561 54 54 ARG HD3 H 3.238 0.030 1 562 54 54 ARG HG2 H 1.742 0.030 2 563 54 54 ARG HG3 H 1.831 0.030 2 564 54 54 ARG C C 174.026 0.300 1 565 54 54 ARG CA C 53.144 0.300 1 566 54 54 ARG CB C 27.578 0.300 1 567 54 54 ARG CD C 40.831 0.300 1 568 54 54 ARG CG C 25.424 0.300 1 569 54 54 ARG N N 122.878 0.300 1 570 55 55 PRO HA H 4.051 0.030 1 571 55 55 PRO HB2 H 2.277 0.030 2 572 55 55 PRO HB3 H 1.827 0.030 2 573 55 55 PRO HD2 H 3.625 0.030 2 574 55 55 PRO HD3 H 3.849 0.030 2 575 55 55 PRO HG2 H 1.996 0.030 1 576 55 55 PRO HG3 H 1.996 0.030 1 577 55 55 PRO C C 174.706 0.300 1 578 55 55 PRO CA C 63.236 0.300 1 579 55 55 PRO CB C 29.514 0.300 1 580 55 55 PRO CD C 48.021 0.300 1 581 55 55 PRO CG C 25.390 0.300 1 582 56 56 ASP H H 7.951 0.030 1 583 56 56 ASP HA H 4.288 0.030 1 584 56 56 ASP HB2 H 2.699 0.030 2 585 56 56 ASP HB3 H 2.471 0.030 2 586 56 56 ASP C C 172.721 0.300 1 587 56 56 ASP CA C 50.902 0.300 1 588 56 56 ASP CB C 37.058 0.300 1 589 56 56 ASP N N 110.680 0.300 1 590 57 57 ASP H H 7.340 0.030 1 591 57 57 ASP HA H 4.758 0.030 1 592 57 57 ASP HB2 H 2.422 0.030 2 593 57 57 ASP HB3 H 3.072 0.030 2 594 57 57 ASP C C 172.520 0.300 1 595 57 57 ASP CA C 47.939 0.300 1 596 57 57 ASP CB C 40.602 0.300 1 597 57 57 ASP N N 123.889 0.300 1 598 58 58 PRO HA H 4.207 0.030 1 599 58 58 PRO HB2 H 2.135 0.030 2 600 58 58 PRO HB3 H 1.876 0.030 2 601 58 58 PRO HD2 H 3.677 0.030 2 602 58 58 PRO HD3 H 3.799 0.030 2 603 58 58 PRO HG2 H 1.825 0.030 2 604 58 58 PRO HG3 H 1.876 0.030 2 605 58 58 PRO C C 174.819 0.300 1 606 58 58 PRO CA C 61.188 0.300 1 607 58 58 PRO CB C 29.721 0.300 1 608 58 58 PRO CD C 48.189 0.300 1 609 58 58 PRO CG C 24.503 0.300 1 610 59 59 SER H H 8.213 0.030 1 611 59 59 SER HA H 4.095 0.030 1 612 59 59 SER HB2 H 3.908 0.030 2 613 59 59 SER HB3 H 3.468 0.030 2 614 59 59 SER C C 172.784 0.300 1 615 59 59 SER CA C 56.532 0.300 1 616 59 59 SER CB C 62.019 0.300 1 617 59 59 SER N N 113.092 0.300 1 618 60 60 ASN H H 8.287 0.030 1 619 60 60 ASN HA H 4.727 0.030 1 620 60 60 ASN HB2 H 3.748 0.030 2 621 60 60 ASN HB3 H 2.553 0.030 2 622 60 60 ASN HD21 H 6.763 0.030 2 623 60 60 ASN HD22 H 6.657 0.030 2 624 60 60 ASN C C 172.994 0.300 1 625 60 60 ASN CA C 49.669 0.300 1 626 60 60 ASN CB C 35.497 0.300 1 627 60 60 ASN N N 124.084 0.300 1 628 60 60 ASN ND2 N 109.188 0.300 1 629 61 61 GLN H H 8.196 0.030 1 630 61 61 GLN HA H 4.328 0.030 1 631 61 61 GLN HB2 H 1.777 0.030 2 632 61 61 GLN HB3 H 1.609 0.030 2 633 61 61 GLN HE21 H 6.677 0.030 2 634 61 61 GLN HE22 H 7.421 0.030 2 635 61 61 GLN HG2 H 2.388 0.030 2 636 61 61 GLN HG3 H 1.981 0.030 2 637 61 61 GLN C C 172.473 0.300 1 638 61 61 GLN CA C 53.958 0.300 1 639 61 61 GLN CB C 27.642 0.300 1 640 61 61 GLN CG C 31.864 0.300 1 641 61 61 GLN N N 119.905 0.300 1 642 61 61 GLN NE2 N 110.944 0.300 1 643 62 62 ILE H H 8.814 0.030 1 644 62 62 ILE HA H 4.105 0.030 1 645 62 62 ILE HB H 1.612 0.030 1 646 62 62 ILE HD1 H 0.153 0.030 1 647 62 62 ILE HG12 H 1.267 0.030 2 648 62 62 ILE HG13 H 0.533 0.030 2 649 62 62 ILE HG2 H 0.449 0.030 1 650 62 62 ILE C C 172.023 0.300 1 651 62 62 ILE CA C 58.554 0.300 1 652 62 62 ILE CB C 37.469 0.300 1 653 62 62 ILE CD1 C 11.171 0.300 1 654 62 62 ILE CG1 C 26.217 0.300 1 655 62 62 ILE CG2 C 14.439 0.300 1 656 62 62 ILE N N 124.020 0.300 1 657 63 63 LYS H H 8.023 0.030 1 658 63 63 LYS HA H 4.937 0.030 1 659 63 63 LYS HB2 H 1.689 0.030 2 660 63 63 LYS HB3 H 1.560 0.030 2 661 63 63 LYS HD2 H 1.457 0.030 1 662 63 63 LYS HD3 H 1.457 0.030 1 663 63 63 LYS HE2 H 2.707 0.030 1 664 63 63 LYS HE3 H 2.707 0.030 1 665 63 63 LYS HG2 H 1.195 0.030 1 666 63 63 LYS HG3 H 1.195 0.030 1 667 63 63 LYS C C 172.391 0.300 1 668 63 63 LYS CA C 52.887 0.300 1 669 63 63 LYS CB C 32.689 0.300 1 670 63 63 LYS CD C 27.035 0.300 1 671 63 63 LYS CE C 39.581 0.300 1 672 63 63 LYS CG C 22.797 0.300 1 673 63 63 LYS N N 127.476 0.300 1 674 64 64 ILE H H 9.049 0.030 1 675 64 64 ILE HA H 4.740 0.030 1 676 64 64 ILE HB H 1.462 0.030 1 677 64 64 ILE HD1 H 0.537 0.030 1 678 64 64 ILE HG12 H 0.671 0.030 2 679 64 64 ILE HG13 H 1.469 0.030 2 680 64 64 ILE HG2 H 0.765 0.030 1 681 64 64 ILE C C 172.489 0.300 1 682 64 64 ILE CA C 58.407 0.300 1 683 64 64 ILE CB C 38.768 0.300 1 684 64 64 ILE CD1 C 11.208 0.300 1 685 64 64 ILE CG1 C 24.965 0.300 1 686 64 64 ILE CG2 C 16.907 0.300 1 687 64 64 ILE N N 126.415 0.300 1 688 65 65 THR H H 8.816 0.030 1 689 65 65 THR HA H 5.215 0.030 1 690 65 65 THR HB H 3.861 0.030 1 691 65 65 THR HG2 H 1.089 0.030 1 692 65 65 THR C C 171.697 0.300 1 693 65 65 THR CA C 58.505 0.300 1 694 65 65 THR CB C 69.210 0.300 1 695 65 65 THR CG2 C 18.855 0.300 1 696 65 65 THR N N 120.798 0.300 1 697 66 66 GLY H H 8.337 0.030 1 698 66 66 GLY HA2 H 4.134 0.030 2 699 66 66 GLY HA3 H 4.062 0.030 2 700 66 66 GLY C C 169.832 0.300 1 701 66 66 GLY CA C 43.444 0.300 1 702 66 66 GLY N N 111.810 0.300 1 703 67 67 THR H H 8.667 0.030 1 704 67 67 THR HA H 4.561 0.030 1 705 67 67 THR HB H 4.629 0.030 1 706 67 67 THR HG2 H 1.295 0.030 1 707 67 67 THR C C 172.839 0.300 1 708 67 67 THR CA C 58.633 0.300 1 709 67 67 THR CB C 68.770 0.300 1 710 67 67 THR CG2 C 19.744 0.300 1 711 67 67 THR N N 111.687 0.300 1 712 68 68 LYS H H 8.874 0.030 1 713 68 68 LYS HA H 3.729 0.030 1 714 68 68 LYS HB2 H 1.790 0.030 2 715 68 68 LYS HB3 H 1.697 0.030 2 716 68 68 LYS HD2 H 1.598 0.030 1 717 68 68 LYS HD3 H 1.598 0.030 1 718 68 68 LYS HE2 H 2.902 0.030 1 719 68 68 LYS HE3 H 2.902 0.030 1 720 68 68 LYS HG2 H 1.412 0.030 2 721 68 68 LYS HG3 H 1.271 0.030 2 722 68 68 LYS C C 176.489 0.300 1 723 68 68 LYS CA C 58.284 0.300 1 724 68 68 LYS CB C 29.845 0.300 1 725 68 68 LYS CD C 27.083 0.300 1 726 68 68 LYS CE C 39.778 0.300 1 727 68 68 LYS CG C 22.714 0.300 1 728 68 68 LYS N N 120.609 0.300 1 729 69 69 GLU H H 8.594 0.030 1 730 69 69 GLU HA H 3.954 0.030 1 731 69 69 GLU HB2 H 1.938 0.030 2 732 69 69 GLU HB3 H 1.815 0.030 2 733 69 69 GLU HG2 H 2.260 0.030 2 734 69 69 GLU HG3 H 2.175 0.030 2 735 69 69 GLU C C 176.964 0.300 1 736 69 69 GLU CA C 57.378 0.300 1 737 69 69 GLU CB C 26.839 0.300 1 738 69 69 GLU CG C 34.502 0.300 1 739 69 69 GLU N N 116.737 0.300 1 740 70 70 GLY H H 7.998 0.030 1 741 70 70 GLY HA2 H 3.919 0.030 2 742 70 70 GLY HA3 H 3.687 0.030 2 743 70 70 GLY C C 173.811 0.300 1 744 70 70 GLY CA C 45.524 0.300 1 745 70 70 GLY N N 110.592 0.300 1 746 71 71 ILE H H 8.707 0.030 1 747 71 71 ILE HA H 3.401 0.030 1 748 71 71 ILE HB H 1.613 0.030 1 749 71 71 ILE HD1 H 0.499 0.030 1 750 71 71 ILE HG12 H 1.337 0.030 2 751 71 71 ILE HG13 H 0.648 0.030 2 752 71 71 ILE HG2 H 0.597 0.030 1 753 71 71 ILE C C 175.455 0.300 1 754 71 71 ILE CA C 63.300 0.300 1 755 71 71 ILE CB C 35.615 0.300 1 756 71 71 ILE CD1 C 12.118 0.300 1 757 71 71 ILE CG1 C 26.120 0.300 1 758 71 71 ILE CG2 C 15.543 0.300 1 759 71 71 ILE N N 119.644 0.300 1 760 72 72 GLU H H 7.490 0.030 1 761 72 72 GLU HA H 3.896 0.030 1 762 72 72 GLU HB2 H 1.966 0.030 2 763 72 72 GLU HB3 H 2.000 0.030 2 764 72 72 GLU HG2 H 2.279 0.030 2 765 72 72 GLU HG3 H 2.230 0.030 2 766 72 72 GLU C C 177.211 0.300 1 767 72 72 GLU CA C 56.815 0.300 1 768 72 72 GLU CB C 26.765 0.300 1 769 72 72 GLU CG C 33.513 0.300 1 770 72 72 GLU N N 117.795 0.300 1 771 73 73 LYS H H 7.546 0.030 1 772 73 73 LYS HA H 4.061 0.030 1 773 73 73 LYS HB2 H 1.829 0.030 2 774 73 73 LYS HB3 H 1.880 0.030 2 775 73 73 LYS HD2 H 1.582 0.030 1 776 73 73 LYS HD3 H 1.582 0.030 1 777 73 73 LYS HE2 H 2.810 0.030 1 778 73 73 LYS HE3 H 2.810 0.030 1 779 73 73 LYS HG2 H 1.342 0.030 2 780 73 73 LYS HG3 H 1.584 0.030 2 781 73 73 LYS C C 176.767 0.300 1 782 73 73 LYS CA C 57.081 0.300 1 783 73 73 LYS CB C 30.563 0.300 1 784 73 73 LYS CD C 27.061 0.300 1 785 73 73 LYS CE C 39.778 0.300 1 786 73 73 LYS CG C 23.174 0.300 1 787 73 73 LYS N N 119.047 0.300 1 788 74 74 ALA H H 8.670 0.030 1 789 74 74 ALA HA H 3.823 0.030 1 790 74 74 ALA HB H 1.327 0.030 1 791 74 74 ALA C C 176.276 0.300 1 792 74 74 ALA CA C 53.550 0.300 1 793 74 74 ALA CB C 16.691 0.300 1 794 74 74 ALA N N 121.647 0.300 1 795 75 75 ARG H H 9.012 0.030 1 796 75 75 ARG HA H 3.436 0.030 1 797 75 75 ARG HB2 H 1.844 0.030 2 798 75 75 ARG HB3 H 1.539 0.030 2 799 75 75 ARG HD2 H 3.034 0.030 1 800 75 75 ARG HD3 H 3.034 0.030 1 801 75 75 ARG HG2 H 1.330 0.030 2 802 75 75 ARG HG3 H 1.419 0.030 2 803 75 75 ARG C C 174.744 0.300 1 804 75 75 ARG CA C 57.943 0.300 1 805 75 75 ARG CB C 27.948 0.300 1 806 75 75 ARG CD C 41.342 0.300 1 807 75 75 ARG CG C 24.967 0.300 1 808 75 75 ARG N N 117.978 0.300 1 809 76 76 HIS H H 7.607 0.030 1 810 76 76 HIS HA H 4.120 0.030 1 811 76 76 HIS HB2 H 3.146 0.030 2 812 76 76 HIS HB3 H 3.261 0.030 2 813 76 76 HIS HD2 H 6.925 0.030 1 814 76 76 HIS HE1 H 7.787 0.030 1 815 76 76 HIS C C 175.255 0.300 1 816 76 76 HIS CA C 57.663 0.300 1 817 76 76 HIS CB C 27.916 0.300 1 818 76 76 HIS CD2 C 117.467 0.300 1 819 76 76 HIS CE1 C 135.892 0.300 1 820 76 76 HIS N N 115.827 0.300 1 821 77 77 GLU H H 7.746 0.030 1 822 77 77 GLU HA H 3.888 0.030 1 823 77 77 GLU HB2 H 1.944 0.030 2 824 77 77 GLU HB3 H 2.012 0.030 2 825 77 77 GLU HG2 H 2.434 0.030 2 826 77 77 GLU HG3 H 2.056 0.030 2 827 77 77 GLU C C 177.140 0.300 1 828 77 77 GLU CA C 56.762 0.300 1 829 77 77 GLU CB C 27.132 0.300 1 830 77 77 GLU CG C 32.916 0.300 1 831 77 77 GLU N N 116.376 0.300 1 832 78 78 VAL H H 8.386 0.030 1 833 78 78 VAL HA H 3.391 0.030 1 834 78 78 VAL HB H 2.012 0.030 1 835 78 78 VAL HG1 H 0.817 0.030 1 836 78 78 VAL HG2 H 0.706 0.030 1 837 78 78 VAL C C 175.062 0.300 1 838 78 78 VAL CA C 64.981 0.300 1 839 78 78 VAL CB C 29.189 0.300 1 840 78 78 VAL CG1 C 20.328 0.300 2 841 78 78 VAL CG2 C 20.076 0.300 2 842 78 78 VAL N N 119.025 0.300 1 843 79 79 LEU H H 8.092 0.030 1 844 79 79 LEU HA H 3.870 0.030 1 845 79 79 LEU HB2 H 1.822 0.030 2 846 79 79 LEU HB3 H 1.289 0.030 2 847 79 79 LEU HD1 H 0.760 0.030 1 848 79 79 LEU HD2 H 0.732 0.030 1 849 79 79 LEU HG H 1.642 0.030 1 850 79 79 LEU C C 178.277 0.300 1 851 79 79 LEU CA C 55.825 0.300 1 852 79 79 LEU CB C 38.649 0.300 1 853 79 79 LEU CD1 C 23.316 0.300 2 854 79 79 LEU CD2 C 20.159 0.300 2 855 79 79 LEU CG C 24.857 0.300 1 856 79 79 LEU N N 118.595 0.300 1 857 80 80 LEU H H 7.926 0.030 1 858 80 80 LEU HA H 3.933 0.030 1 859 80 80 LEU HB2 H 1.447 0.030 2 860 80 80 LEU HB3 H 1.607 0.030 2 861 80 80 LEU HD1 H 0.633 0.030 1 862 80 80 LEU HD2 H 0.656 0.030 1 863 80 80 LEU HG H 1.368 0.030 1 864 80 80 LEU C C 177.292 0.300 1 865 80 80 LEU CA C 55.807 0.300 1 866 80 80 LEU CB C 39.462 0.300 1 867 80 80 LEU CD1 C 22.550 0.300 2 868 80 80 LEU CD2 C 21.323 0.300 2 869 80 80 LEU CG C 24.132 0.300 1 870 80 80 LEU N N 121.884 0.300 1 871 81 81 ILE H H 7.738 0.030 1 872 81 81 ILE HA H 3.534 0.030 1 873 81 81 ILE HB H 1.817 0.030 1 874 81 81 ILE HD1 H 0.808 0.030 1 875 81 81 ILE HG12 H 1.762 0.030 2 876 81 81 ILE HG13 H 0.941 0.030 2 877 81 81 ILE HG2 H 0.645 0.030 1 878 81 81 ILE C C 176.261 0.300 1 879 81 81 ILE CA C 62.740 0.300 1 880 81 81 ILE CB C 35.890 0.300 1 881 81 81 ILE CD1 C 12.826 0.300 1 882 81 81 ILE CG1 C 27.120 0.300 1 883 81 81 ILE CG2 C 15.047 0.300 1 884 81 81 ILE N N 120.690 0.300 1 885 82 82 SER H H 7.459 0.030 1 886 82 82 SER HA H 3.951 0.030 1 887 82 82 SER HB2 H 3.935 0.030 1 888 82 82 SER HB3 H 3.935 0.030 1 889 82 82 SER C C 174.341 0.300 1 890 82 82 SER CA C 57.929 0.300 1 891 82 82 SER CB C 61.336 0.300 1 892 82 82 SER N N 111.744 0.300 1 893 83 83 ALA H H 8.311 0.030 1 894 83 83 ALA HA H 4.086 0.030 1 895 83 83 ALA HB H 1.409 0.030 1 896 83 83 ALA C C 178.433 0.300 1 897 83 83 ALA CA C 52.553 0.300 1 898 83 83 ALA CB C 15.785 0.300 1 899 83 83 ALA N N 120.642 0.300 1 900 84 84 GLU H H 7.876 0.030 1 901 84 84 GLU HA H 3.840 0.030 1 902 84 84 GLU HB2 H 1.962 0.030 2 903 84 84 GLU HB3 H 1.840 0.030 2 904 84 84 GLU HG2 H 2.169 0.030 2 905 84 84 GLU HG3 H 2.057 0.030 2 906 84 84 GLU C C 176.317 0.300 1 907 84 84 GLU CA C 56.143 0.300 1 908 84 84 GLU CB C 26.956 0.300 1 909 84 84 GLU CG C 33.842 0.300 1 910 84 84 GLU N N 117.074 0.300 1 911 85 85 GLN H H 7.245 0.030 1 912 85 85 GLN HA H 3.605 0.030 1 913 85 85 GLN HB2 H 1.432 0.030 2 914 85 85 GLN HB3 H 0.934 0.030 2 915 85 85 GLN HE21 H 6.053 0.030 2 916 85 85 GLN HE22 H 6.990 0.030 2 917 85 85 GLN HG2 H 1.241 0.030 2 918 85 85 GLN HG3 H 1.960 0.030 2 919 85 85 GLN C C 175.507 0.300 1 920 85 85 GLN CA C 53.807 0.300 1 921 85 85 GLN CB C 24.012 0.300 1 922 85 85 GLN CG C 29.695 0.300 1 923 85 85 GLN N N 116.096 0.300 1 924 85 85 GLN NE2 N 112.884 0.300 1 925 86 86 ASP H H 7.760 0.030 1 926 86 86 ASP HA H 4.467 0.030 1 927 86 86 ASP HB2 H 2.654 0.030 1 928 86 86 ASP HB3 H 2.654 0.030 1 929 86 86 ASP C C 175.027 0.300 1 930 86 86 ASP CA C 53.622 0.300 1 931 86 86 ASP CB C 38.720 0.300 1 932 86 86 ASP N N 119.641 0.300 1 933 87 87 LYS H H 7.576 0.030 1 934 87 87 LYS HA H 4.082 0.030 1 935 87 87 LYS HB2 H 1.701 0.030 2 936 87 87 LYS HB3 H 1.784 0.030 2 937 87 87 LYS HD2 H 1.584 0.030 1 938 87 87 LYS HD3 H 1.584 0.030 1 939 87 87 LYS HE2 H 2.843 0.030 1 940 87 87 LYS HE3 H 2.843 0.030 1 941 87 87 LYS HG2 H 1.309 0.030 2 942 87 87 LYS HG3 H 1.408 0.030 2 943 87 87 LYS C C 174.962 0.300 1 944 87 87 LYS CA C 54.888 0.300 1 945 87 87 LYS CB C 30.174 0.300 1 946 87 87 LYS CD C 26.753 0.300 1 947 87 87 LYS CE C 39.778 0.300 1 948 87 87 LYS CG C 22.632 0.300 1 949 87 87 LYS N N 118.812 0.300 1 950 88 88 ARG H H 7.797 0.030 1 951 88 88 ARG HA H 4.193 0.030 1 952 88 88 ARG HB2 H 1.776 0.030 2 953 88 88 ARG HB3 H 1.662 0.030 2 954 88 88 ARG HD2 H 3.020 0.030 1 955 88 88 ARG HD3 H 3.020 0.030 1 956 88 88 ARG HG2 H 1.553 0.030 2 957 88 88 ARG HG3 H 1.504 0.030 2 958 88 88 ARG C C 174.216 0.300 1 959 88 88 ARG CA C 54.269 0.300 1 960 88 88 ARG CB C 28.279 0.300 1 961 88 88 ARG CD C 40.985 0.300 1 962 88 88 ARG CG C 24.853 0.300 1 963 88 88 ARG N N 119.390 0.300 1 964 89 89 SER H H 8.026 0.030 1 965 89 89 SER HA H 4.394 0.030 1 966 89 89 SER HB2 H 3.784 0.030 1 967 89 89 SER HB3 H 3.784 0.030 1 968 89 89 SER C C 172.227 0.300 1 969 89 89 SER CA C 56.143 0.300 1 970 89 89 SER CB C 61.621 0.300 1 971 89 89 SER N N 115.369 0.300 1 972 90 90 GLY H H 8.046 0.030 1 973 90 90 GLY HA2 H 4.072 0.030 2 974 90 90 GLY HA3 H 3.999 0.030 2 975 90 90 GLY C C 169.435 0.300 1 976 90 90 GLY CA C 42.400 0.300 1 977 90 90 GLY N N 110.218 0.300 1 978 91 91 PRO HA H 4.379 0.030 1 979 91 91 PRO HB2 H 2.194 0.030 2 980 91 91 PRO HB3 H 1.871 0.030 2 981 91 91 PRO HD2 H 3.532 0.030 1 982 91 91 PRO HD3 H 3.532 0.030 1 983 91 91 PRO HG2 H 1.914 0.030 1 984 91 91 PRO HG3 H 1.914 0.030 1 985 91 91 PRO C C 175.122 0.300 1 986 91 91 PRO CA C 60.899 0.300 1 987 91 91 PRO CB C 29.834 0.300 1 988 91 91 PRO CD C 47.458 0.300 1 989 91 91 PRO CG C 24.805 0.300 1 990 92 92 SER H H 8.449 0.030 1 991 92 92 SER HA H 4.394 0.030 1 992 92 92 SER HB2 H 3.812 0.030 1 993 92 92 SER HB3 H 3.812 0.030 1 994 92 92 SER C C 172.353 0.300 1 995 92 92 SER CA C 56.037 0.300 1 996 92 92 SER CB C 61.498 0.300 1 997 92 92 SER N N 116.081 0.300 1 998 93 93 SER H H 8.241 0.030 1 999 93 93 SER HA H 4.380 0.030 1 1000 93 93 SER HB2 H 3.784 0.030 2 1001 93 93 SER C C 171.603 0.300 1 1002 93 93 SER CA C 56.019 0.300 1 1003 93 93 SER CB C 61.663 0.300 1 1004 93 93 SER N N 117.487 0.300 1 1005 94 94 GLY H H 7.962 0.030 1 1006 94 94 GLY HA2 H 3.692 0.030 2 1007 94 94 GLY HA3 H 3.645 0.030 2 1008 94 94 GLY C C 176.698 0.300 1 1009 94 94 GLY CA C 43.848 0.300 1 1010 94 94 GLY N N 116.467 0.300 1 stop_ save_