data_10029 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the fifth PDZ domain of human membrane associated guanylate kinase inverted-2 (KIAA0705 protein) ; _BMRB_accession_number 10029 _BMRB_flat_file_name bmr10029.str _Entry_type original _Submission_date 2006-11-01 _Accession_date 2006-11-01 _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 Tochio N. . . 2 Koshiba S. . . 3 Inoue M. . . 4 Kigawa T. . . 5 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 561 "13C chemical shifts" 417 "15N chemical shifts" 102 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-08-12 original author . stop_ _Original_release_date 2008-08-12 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the fifth PDZ domain of human membrane associated guanylate kinase inverted-2 (KIAA0705 protein) ; _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 Tochio N. . . 2 Koshiba S. . . 3 Inoue M. . . 4 Kigawa T. . . 5 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'membrane associated guanylate kinase inverted-2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'membrane associated guanylate kinase inverted-2' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state 'protein monomer' _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'PDZ domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 103 _Mol_residue_sequence ; GSSGSSGQDFDYFTVDMEKG AKGFGFSIRGGREYKMDLYV LRLAEDGPAIRNGRMRVGDQ IIEINGESTRDMTHARAIEL IKSGGRRVRLLLKRGTGSGP SSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLN 9 ASP 10 PHE 11 ASP 12 TYR 13 PHE 14 THR 15 VAL 16 ASP 17 MET 18 GLU 19 LYS 20 GLY 21 ALA 22 LYS 23 GLY 24 PHE 25 GLY 26 PHE 27 SER 28 ILE 29 ARG 30 GLY 31 GLY 32 ARG 33 GLU 34 TYR 35 LYS 36 MET 37 ASP 38 LEU 39 TYR 40 VAL 41 LEU 42 ARG 43 LEU 44 ALA 45 GLU 46 ASP 47 GLY 48 PRO 49 ALA 50 ILE 51 ARG 52 ASN 53 GLY 54 ARG 55 MET 56 ARG 57 VAL 58 GLY 59 ASP 60 GLN 61 ILE 62 ILE 63 GLU 64 ILE 65 ASN 66 GLY 67 GLU 68 SER 69 THR 70 ARG 71 ASP 72 MET 73 THR 74 HIS 75 ALA 76 ARG 77 ALA 78 ILE 79 GLU 80 LEU 81 ILE 82 LYS 83 SER 84 GLY 85 GLY 86 ARG 87 ARG 88 VAL 89 ARG 90 LEU 91 LEU 92 LEU 93 LYS 94 ARG 95 GLY 96 THR 97 GLY 98 SER 99 GLY 100 PRO 101 SER 102 SER 103 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 1WFV "Solution Structure Of The Fifth Pdz Domain Of Human Membrane Associated Guanylate Kinase Inverted-2 (Kiaa0705 Protein)" 100.00 103 100.00 100.00 3.84e-65 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' . . . . plasmid P021030-33 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.3 mM '[U-13C; U-15N]' phosphate 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20031121 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B. A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.8994 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guentert, P.' . . stop_ loop_ _Task refinement '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_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_15N-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . 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 6.0 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_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'membrane associated guanylate kinase inverted-2' _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 6 6 SER HA H 4.538 0.030 1 2 6 6 SER HB2 H 3.935 0.030 2 3 6 6 SER C C 175.208 0.300 1 4 6 6 SER CA C 58.711 0.300 1 5 6 6 SER CB C 63.872 0.300 1 6 7 7 GLY H H 8.474 0.030 1 7 7 7 GLY HA2 H 4.023 0.030 1 8 7 7 GLY HA3 H 4.023 0.030 1 9 7 7 GLY C C 174.310 0.300 1 10 7 7 GLY CA C 45.622 0.300 1 11 7 7 GLY N N 110.715 0.300 1 12 8 8 GLN H H 8.236 0.030 1 13 8 8 GLN HA H 4.394 0.030 1 14 8 8 GLN HB2 H 2.089 0.030 2 15 8 8 GLN HB3 H 1.933 0.030 2 16 8 8 GLN HG2 H 2.302 0.030 2 17 8 8 GLN HE21 H 7.586 0.030 2 18 8 8 GLN HE22 H 6.895 0.030 2 19 8 8 GLN C C 175.828 0.300 1 20 8 8 GLN CA C 55.816 0.300 1 21 8 8 GLN CB C 29.687 0.300 1 22 8 8 GLN CG C 33.931 0.300 1 23 8 8 GLN N N 119.610 0.300 1 24 8 8 GLN NE2 N 112.527 0.300 1 25 9 9 ASP H H 8.239 0.030 1 26 9 9 ASP HA H 4.496 0.030 1 27 9 9 ASP HB2 H 2.415 0.030 2 28 9 9 ASP HB3 H 2.310 0.030 2 29 9 9 ASP C C 175.815 0.300 1 30 9 9 ASP CA C 55.461 0.300 1 31 9 9 ASP CB C 41.299 0.300 1 32 9 9 ASP N N 120.761 0.300 1 33 10 10 PHE H H 7.858 0.030 1 34 10 10 PHE HA H 4.866 0.030 1 35 10 10 PHE HB2 H 2.999 0.030 2 36 10 10 PHE HB3 H 2.791 0.030 2 37 10 10 PHE HD1 H 7.238 0.030 1 38 10 10 PHE HD2 H 7.238 0.030 1 39 10 10 PHE HE1 H 7.438 0.030 1 40 10 10 PHE HE2 H 7.438 0.030 1 41 10 10 PHE HZ H 7.302 0.030 1 42 10 10 PHE CA C 57.379 0.300 1 43 10 10 PHE CB C 40.519 0.300 1 44 10 10 PHE CD1 C 131.922 0.300 1 45 10 10 PHE CD2 C 131.922 0.300 1 46 10 10 PHE CE1 C 131.764 0.300 1 47 10 10 PHE CE2 C 131.764 0.300 1 48 10 10 PHE CZ C 129.950 0.300 1 49 10 10 PHE N N 115.405 0.300 1 50 11 11 ASP H H 8.403 0.030 1 51 11 11 ASP HA H 4.791 0.030 1 52 11 11 ASP HB2 H 2.698 0.030 2 53 11 11 ASP HB3 H 2.559 0.030 2 54 11 11 ASP CA C 54.435 0.300 1 55 11 11 ASP CB C 42.178 0.300 1 56 11 11 ASP N N 120.570 0.300 1 57 12 12 TYR H H 8.482 0.030 1 58 12 12 TYR HA H 5.308 0.030 1 59 12 12 TYR HB2 H 2.433 0.030 2 60 12 12 TYR HB3 H 2.250 0.030 2 61 12 12 TYR HD1 H 6.420 0.030 1 62 12 12 TYR HD2 H 6.420 0.030 1 63 12 12 TYR HE1 H 6.225 0.030 1 64 12 12 TYR HE2 H 6.225 0.030 1 65 12 12 TYR CA C 56.570 0.300 1 66 12 12 TYR CB C 40.454 0.300 1 67 12 12 TYR CD1 C 132.531 0.300 1 68 12 12 TYR CD2 C 132.531 0.300 1 69 12 12 TYR CE1 C 117.285 0.300 1 70 12 12 TYR CE2 C 117.285 0.300 1 71 12 12 TYR N N 117.124 0.300 1 72 13 13 PHE H H 9.158 0.030 1 73 13 13 PHE HA H 4.751 0.030 1 74 13 13 PHE HB2 H 3.134 0.030 2 75 13 13 PHE HB3 H 2.981 0.030 2 76 13 13 PHE HD1 H 6.787 0.030 1 77 13 13 PHE HD2 H 6.787 0.030 1 78 13 13 PHE HE1 H 6.740 0.030 1 79 13 13 PHE HE2 H 6.740 0.030 1 80 13 13 PHE HZ H 7.345 0.030 1 81 13 13 PHE CA C 52.777 0.300 1 82 13 13 PHE CB C 40.862 0.300 1 83 13 13 PHE CD1 C 132.332 0.300 1 84 13 13 PHE CD2 C 132.332 0.300 1 85 13 13 PHE CE1 C 130.667 0.300 1 86 13 13 PHE CE2 C 130.667 0.300 1 87 13 13 PHE CZ C 130.940 0.300 1 88 13 13 PHE N N 110.185 0.300 1 89 14 14 THR H H 8.372 0.030 1 90 14 14 THR HA H 5.470 0.030 1 91 14 14 THR HB H 4.068 0.030 1 92 14 14 THR HG2 H 1.066 0.030 1 93 14 14 THR CA C 59.534 0.300 1 94 14 14 THR CB C 72.793 0.300 1 95 14 14 THR CG2 C 22.108 0.300 1 96 14 14 THR N N 116.352 0.300 1 97 15 15 VAL H H 8.373 0.030 1 98 15 15 VAL HA H 4.382 0.030 1 99 15 15 VAL HB H 1.730 0.030 1 100 15 15 VAL HG1 H 0.908 0.030 1 101 15 15 VAL HG2 H 0.908 0.030 1 102 15 15 VAL C C 173.339 0.300 1 103 15 15 VAL CA C 61.335 0.300 1 104 15 15 VAL CB C 36.665 0.300 1 105 15 15 VAL CG1 C 22.296 0.300 1 106 15 15 VAL CG2 C 22.296 0.300 1 107 15 15 VAL N N 116.184 0.300 1 108 16 16 ASP H H 8.394 0.030 1 109 16 16 ASP HA H 5.497 0.030 1 110 16 16 ASP HB2 H 2.690 0.030 2 111 16 16 ASP HB3 H 2.400 0.030 2 112 16 16 ASP C C 175.597 0.300 1 113 16 16 ASP CA C 53.185 0.300 1 114 16 16 ASP CB C 43.360 0.300 1 115 16 16 ASP N N 127.081 0.300 1 116 17 17 MET H H 8.638 0.030 1 117 17 17 MET HA H 5.019 0.030 1 118 17 17 MET HB2 H 2.087 0.030 2 119 17 17 MET HB3 H 2.022 0.030 2 120 17 17 MET HG2 H 2.426 0.030 2 121 17 17 MET HE H 1.844 0.030 1 122 17 17 MET C C 173.582 0.300 1 123 17 17 MET CA C 54.612 0.300 1 124 17 17 MET CB C 37.819 0.300 1 125 17 17 MET CG C 31.949 0.300 1 126 17 17 MET CE C 17.905 0.300 1 127 17 17 MET N N 120.000 0.300 1 128 18 18 GLU H H 8.588 0.030 1 129 18 18 GLU HA H 5.330 0.030 1 130 18 18 GLU HB2 H 2.077 0.030 2 131 18 18 GLU HB3 H 1.987 0.030 2 132 18 18 GLU HG2 H 2.389 0.030 1 133 18 18 GLU HG3 H 2.389 0.030 1 134 18 18 GLU C C 176.070 0.300 1 135 18 18 GLU CA C 54.540 0.300 1 136 18 18 GLU CB C 32.229 0.300 1 137 18 18 GLU CG C 36.859 0.300 1 138 18 18 GLU N N 121.401 0.300 1 139 19 19 LYS H H 8.510 0.030 1 140 19 19 LYS HA H 3.237 0.030 1 141 19 19 LYS HB2 H 1.126 0.030 1 142 19 19 LYS HB3 H 1.126 0.030 1 143 19 19 LYS HG2 H 1.288 0.030 2 144 19 19 LYS HG3 H 0.207 0.030 2 145 19 19 LYS HD2 H 1.366 0.030 1 146 19 19 LYS HD3 H 1.366 0.030 1 147 19 19 LYS HE2 H 2.714 0.030 1 148 19 19 LYS HE3 H 2.714 0.030 1 149 19 19 LYS C C 176.605 0.300 1 150 19 19 LYS CA C 57.790 0.300 1 151 19 19 LYS CB C 33.226 0.300 1 152 19 19 LYS CG C 24.173 0.300 1 153 19 19 LYS CD C 29.452 0.300 1 154 19 19 LYS CE C 41.777 0.300 1 155 19 19 LYS N N 123.416 0.300 1 156 20 20 GLY H H 7.206 0.030 1 157 20 20 GLY HA2 H 4.584 0.030 2 158 20 20 GLY HA3 H 3.823 0.030 2 159 20 20 GLY C C 175.038 0.300 1 160 20 20 GLY CA C 43.914 0.300 1 161 20 20 GLY N N 111.126 0.300 1 162 21 21 ALA H H 8.787 0.030 1 163 21 21 ALA HA H 4.078 0.030 1 164 21 21 ALA HB H 1.461 0.030 1 165 21 21 ALA C C 179.263 0.300 1 166 21 21 ALA CA C 55.020 0.300 1 167 21 21 ALA CB C 18.772 0.300 1 168 21 21 ALA N N 124.064 0.300 1 169 22 22 LYS H H 8.440 0.030 1 170 22 22 LYS HA H 4.527 0.030 1 171 22 22 LYS HB2 H 2.031 0.030 2 172 22 22 LYS HB3 H 1.609 0.030 2 173 22 22 LYS HG2 H 1.361 0.030 2 174 22 22 LYS HG3 H 1.314 0.030 2 175 22 22 LYS HD2 H 1.662 0.030 1 176 22 22 LYS HD3 H 1.662 0.030 1 177 22 22 LYS HE2 H 2.960 0.030 1 178 22 22 LYS HE3 H 2.960 0.030 1 179 22 22 LYS C C 176.459 0.300 1 180 22 22 LYS CA C 54.698 0.300 1 181 22 22 LYS CB C 32.217 0.300 1 182 22 22 LYS CG C 25.039 0.300 1 183 22 22 LYS CD C 29.144 0.300 1 184 22 22 LYS CE C 42.192 0.300 1 185 22 22 LYS N N 114.862 0.300 1 186 23 23 GLY H H 7.459 0.030 1 187 23 23 GLY HA2 H 4.557 0.030 2 188 23 23 GLY HA3 H 3.306 0.030 2 189 23 23 GLY C C 175.087 0.300 1 190 23 23 GLY CA C 44.773 0.300 1 191 23 23 GLY N N 106.929 0.300 1 192 24 24 PHE H H 9.181 0.030 1 193 24 24 PHE HA H 4.496 0.030 1 194 24 24 PHE HB2 H 3.548 0.030 2 195 24 24 PHE HB3 H 2.853 0.030 2 196 24 24 PHE HD1 H 7.107 0.030 1 197 24 24 PHE HD2 H 7.107 0.030 1 198 24 24 PHE HE1 H 7.397 0.030 1 199 24 24 PHE HE2 H 7.397 0.030 1 200 24 24 PHE HZ H 7.132 0.030 1 201 24 24 PHE C C 175.427 0.300 1 202 24 24 PHE CA C 60.647 0.300 1 203 24 24 PHE CB C 40.559 0.300 1 204 24 24 PHE CD1 C 131.077 0.300 1 205 24 24 PHE CD2 C 131.077 0.300 1 206 24 24 PHE CE1 C 132.721 0.300 1 207 24 24 PHE CE2 C 132.721 0.300 1 208 24 24 PHE CZ C 130.311 0.300 1 209 24 24 PHE N N 120.526 0.300 1 210 25 25 GLY H H 8.816 0.030 1 211 25 25 GLY HA2 H 4.146 0.030 2 212 25 25 GLY HA3 H 4.067 0.030 2 213 25 25 GLY C C 175.451 0.300 1 214 25 25 GLY CA C 47.377 0.300 1 215 25 25 GLY N N 105.316 0.300 1 216 26 26 PHE H H 7.474 0.030 1 217 26 26 PHE HA H 5.694 0.030 1 218 26 26 PHE HB2 H 3.123 0.030 2 219 26 26 PHE HB3 H 2.968 0.030 2 220 26 26 PHE HD1 H 6.952 0.030 1 221 26 26 PHE HD2 H 6.952 0.030 1 222 26 26 PHE HE1 H 6.856 0.030 1 223 26 26 PHE HE2 H 6.856 0.030 1 224 26 26 PHE HZ H 6.846 0.030 1 225 26 26 PHE C C 172.247 0.300 1 226 26 26 PHE CA C 56.148 0.300 1 227 26 26 PHE CB C 42.371 0.300 1 228 26 26 PHE CD1 C 132.211 0.300 1 229 26 26 PHE CD2 C 132.211 0.300 1 230 26 26 PHE CE1 C 130.308 0.300 1 231 26 26 PHE CE2 C 130.308 0.300 1 232 26 26 PHE CZ C 129.001 0.300 1 233 26 26 PHE N N 115.567 0.300 1 234 27 27 SER H H 8.653 0.030 1 235 27 27 SER HA H 4.993 0.030 1 236 27 27 SER HB2 H 4.009 0.030 2 237 27 27 SER HB3 H 3.859 0.030 2 238 27 27 SER C C 174.420 0.300 1 239 27 27 SER CA C 55.649 0.300 1 240 27 27 SER CB C 66.265 0.300 1 241 27 27 SER N N 115.752 0.300 1 242 28 28 ILE H H 9.129 0.030 1 243 28 28 ILE HA H 5.260 0.030 1 244 28 28 ILE HB H 1.705 0.030 1 245 28 28 ILE HG12 H 1.305 0.030 2 246 28 28 ILE HG13 H 0.943 0.030 2 247 28 28 ILE HG2 H 0.836 0.030 1 248 28 28 ILE HD1 H 0.542 0.030 1 249 28 28 ILE C C 174.371 0.300 1 250 28 28 ILE CA C 60.401 0.300 1 251 28 28 ILE CB C 42.161 0.300 1 252 28 28 ILE CG1 C 26.463 0.300 1 253 28 28 ILE CG2 C 18.854 0.300 1 254 28 28 ILE CD1 C 14.318 0.300 1 255 28 28 ILE N N 119.506 0.300 1 256 29 29 ARG H H 9.370 0.030 1 257 29 29 ARG HA H 4.975 0.030 1 258 29 29 ARG HB2 H 1.907 0.030 2 259 29 29 ARG HB3 H 1.765 0.030 2 260 29 29 ARG HG2 H 1.635 0.030 2 261 29 29 ARG HG3 H 1.484 0.030 2 262 29 29 ARG HD2 H 3.177 0.030 2 263 29 29 ARG HD3 H 3.100 0.030 2 264 29 29 ARG C C 174.140 0.300 1 265 29 29 ARG CA C 54.003 0.300 1 266 29 29 ARG CB C 34.004 0.300 1 267 29 29 ARG CG C 27.496 0.300 1 268 29 29 ARG CD C 43.264 0.300 1 269 29 29 ARG N N 122.611 0.300 1 270 30 30 GLY H H 8.765 0.030 1 271 30 30 GLY HA2 H 5.695 0.030 2 272 30 30 GLY HA3 H 3.818 0.030 2 273 30 30 GLY C C 173.849 0.300 1 274 30 30 GLY CA C 44.260 0.300 1 275 30 30 GLY N N 110.010 0.300 1 276 31 31 GLY H H 7.189 0.030 1 277 31 31 GLY HA2 H 5.123 0.030 2 278 31 31 GLY HA3 H 3.865 0.030 2 279 31 31 GLY C C 177.066 0.300 1 280 31 31 GLY CA C 43.945 0.300 1 281 31 31 GLY N N 106.451 0.300 1 282 32 32 ARG H H 8.347 0.030 1 283 32 32 ARG HA H 4.130 0.030 1 284 32 32 ARG HB2 H 1.624 0.030 2 285 32 32 ARG HB3 H 1.501 0.030 2 286 32 32 ARG HG2 H 1.731 0.030 2 287 32 32 ARG HG3 H 1.689 0.030 2 288 32 32 ARG HD2 H 3.232 0.030 2 289 32 32 ARG HD3 H 3.153 0.030 2 290 32 32 ARG C C 178.874 0.300 1 291 32 32 ARG CA C 59.657 0.300 1 292 32 32 ARG CB C 30.780 0.300 1 293 32 32 ARG CG C 26.276 0.300 1 294 32 32 ARG CD C 43.347 0.300 1 295 32 32 ARG N N 122.629 0.300 1 296 33 33 GLU H H 11.693 0.030 1 297 33 33 GLU HA H 4.147 0.030 1 298 33 33 GLU HB2 H 1.734 0.030 2 299 33 33 GLU HB3 H 1.599 0.030 2 300 33 33 GLU HG2 H 2.139 0.030 2 301 33 33 GLU HG3 H 1.750 0.030 2 302 33 33 GLU C C 176.932 0.300 1 303 33 33 GLU CA C 59.630 0.300 1 304 33 33 GLU CB C 27.937 0.300 1 305 33 33 GLU CG C 36.489 0.300 1 306 33 33 GLU N N 123.658 0.300 1 307 34 34 TYR H H 7.974 0.030 1 308 34 34 TYR HA H 4.686 0.030 1 309 34 34 TYR HB2 H 3.565 0.030 2 310 34 34 TYR HB3 H 2.672 0.030 2 311 34 34 TYR HD1 H 7.078 0.030 1 312 34 34 TYR HD2 H 7.078 0.030 1 313 34 34 TYR HE1 H 6.687 0.030 1 314 34 34 TYR HE2 H 6.687 0.030 1 315 34 34 TYR C C 174.614 0.300 1 316 34 34 TYR CA C 56.599 0.300 1 317 34 34 TYR CB C 39.012 0.300 1 318 34 34 TYR CD1 C 133.259 0.300 1 319 34 34 TYR CD2 C 133.259 0.300 1 320 34 34 TYR CE1 C 118.314 0.300 1 321 34 34 TYR CE2 C 118.314 0.300 1 322 34 34 TYR N N 118.547 0.300 1 323 35 35 LYS H H 8.275 0.030 1 324 35 35 LYS HA H 3.949 0.030 1 325 35 35 LYS HB2 H 2.098 0.030 2 326 35 35 LYS HB3 H 2.033 0.030 2 327 35 35 LYS HG2 H 1.431 0.030 1 328 35 35 LYS HG3 H 1.431 0.030 1 329 35 35 LYS HD2 H 1.771 0.030 2 330 35 35 LYS HD3 H 1.721 0.030 2 331 35 35 LYS HE2 H 3.046 0.030 1 332 35 35 LYS HE3 H 3.046 0.030 1 333 35 35 LYS C C 175.014 0.300 1 334 35 35 LYS CA C 57.195 0.300 1 335 35 35 LYS CB C 29.336 0.300 1 336 35 35 LYS CG C 25.344 0.300 1 337 35 35 LYS CD C 29.296 0.300 1 338 35 35 LYS CE C 42.336 0.300 1 339 35 35 LYS N N 116.332 0.300 1 340 36 36 MET H H 7.466 0.030 1 341 36 36 MET HA H 4.914 0.030 1 342 36 36 MET HB2 H 2.578 0.030 2 343 36 36 MET HB3 H 2.134 0.030 2 344 36 36 MET HG2 H 2.957 0.030 2 345 36 36 MET HG3 H 2.814 0.030 2 346 36 36 MET HE H 2.198 0.030 1 347 36 36 MET C C 176.422 0.300 1 348 36 36 MET CA C 55.051 0.300 1 349 36 36 MET CB C 38.955 0.300 1 350 36 36 MET CG C 31.639 0.300 1 351 36 36 MET CE C 16.847 0.300 1 352 36 36 MET N N 115.541 0.300 1 353 37 37 ASP H H 8.266 0.030 1 354 37 37 ASP HA H 4.781 0.030 1 355 37 37 ASP HB2 H 2.880 0.030 2 356 37 37 ASP HB3 H 2.335 0.030 2 357 37 37 ASP C C 172.927 0.300 1 358 37 37 ASP CA C 55.086 0.300 1 359 37 37 ASP CB C 40.443 0.300 1 360 37 37 ASP N N 121.565 0.300 1 361 38 38 LEU H H 8.106 0.030 1 362 38 38 LEU HA H 5.205 0.030 1 363 38 38 LEU HB2 H 1.764 0.030 2 364 38 38 LEU HB3 H 1.124 0.030 2 365 38 38 LEU HG H 1.670 0.030 1 366 38 38 LEU HD1 H 0.876 0.030 1 367 38 38 LEU HD2 H 0.689 0.030 1 368 38 38 LEU C C 176.082 0.300 1 369 38 38 LEU CA C 54.382 0.300 1 370 38 38 LEU CB C 45.983 0.300 1 371 38 38 LEU CG C 27.493 0.300 1 372 38 38 LEU CD1 C 27.292 0.300 2 373 38 38 LEU CD2 C 24.709 0.300 2 374 38 38 LEU N N 117.387 0.300 1 375 39 39 TYR H H 8.969 0.030 1 376 39 39 TYR HA H 5.517 0.030 1 377 39 39 TYR HB2 H 2.769 0.030 2 378 39 39 TYR HB3 H 2.446 0.030 2 379 39 39 TYR HD1 H 6.915 0.030 1 380 39 39 TYR HD2 H 6.915 0.030 1 381 39 39 TYR HE1 H 6.715 0.030 1 382 39 39 TYR HE2 H 6.715 0.030 1 383 39 39 TYR C C 176.058 0.300 1 384 39 39 TYR CA C 55.755 0.300 1 385 39 39 TYR CB C 43.584 0.300 1 386 39 39 TYR CD1 C 133.745 0.300 1 387 39 39 TYR CD2 C 133.745 0.300 1 388 39 39 TYR CE1 C 117.764 0.300 1 389 39 39 TYR CE2 C 117.764 0.300 1 390 39 39 TYR N N 117.794 0.300 1 391 40 40 VAL H H 9.024 0.030 1 392 40 40 VAL HA H 4.015 0.030 1 393 40 40 VAL HB H 2.365 0.030 1 394 40 40 VAL HG1 H 0.869 0.030 1 395 40 40 VAL HG2 H 0.869 0.030 1 396 40 40 VAL C C 176.325 0.300 1 397 40 40 VAL CA C 64.537 0.300 1 398 40 40 VAL CB C 31.986 0.300 1 399 40 40 VAL CG1 C 22.174 0.300 1 400 40 40 VAL CG2 C 22.174 0.300 1 401 40 40 VAL N N 120.968 0.300 1 402 41 41 LEU H H 9.378 0.030 1 403 41 41 LEU HA H 4.491 0.030 1 404 41 41 LEU HB2 H 1.640 0.030 2 405 41 41 LEU HB3 H 1.267 0.030 2 406 41 41 LEU HG H 1.442 0.030 1 407 41 41 LEU HD1 H 0.894 0.030 1 408 41 41 LEU HD2 H 0.940 0.030 1 409 41 41 LEU C C 173.642 0.300 1 410 41 41 LEU CA C 56.670 0.300 1 411 41 41 LEU CB C 43.459 0.300 1 412 41 41 LEU CG C 27.317 0.300 1 413 41 41 LEU CD1 C 25.864 0.300 2 414 41 41 LEU CD2 C 22.445 0.300 2 415 41 41 LEU N N 134.780 0.300 1 416 42 42 ARG H H 7.162 0.030 1 417 42 42 ARG HA H 4.503 0.030 1 418 42 42 ARG HB2 H 1.706 0.030 2 419 42 42 ARG HB3 H 1.654 0.030 2 420 42 42 ARG HG2 H 1.569 0.030 2 421 42 42 ARG HG3 H 1.473 0.030 2 422 42 42 ARG HD2 H 3.139 0.030 2 423 42 42 ARG C C 173.788 0.300 1 424 42 42 ARG CA C 55.385 0.300 1 425 42 42 ARG CB C 34.276 0.300 1 426 42 42 ARG CG C 27.834 0.300 1 427 42 42 ARG CD C 43.347 0.300 1 428 42 42 ARG N N 114.058 0.300 1 429 43 43 LEU H H 8.655 0.030 1 430 43 43 LEU HA H 5.029 0.030 1 431 43 43 LEU HB2 H 1.770 0.030 2 432 43 43 LEU HB3 H 1.330 0.030 2 433 43 43 LEU HG H 1.534 0.030 1 434 43 43 LEU HD1 H 0.846 0.030 1 435 43 43 LEU HD2 H 0.772 0.030 1 436 43 43 LEU C C 175.597 0.300 1 437 43 43 LEU CA C 53.467 0.300 1 438 43 43 LEU CB C 43.617 0.300 1 439 43 43 LEU CG C 27.565 0.300 1 440 43 43 LEU CD1 C 26.371 0.300 2 441 43 43 LEU CD2 C 25.519 0.300 2 442 43 43 LEU N N 122.923 0.300 1 443 44 44 ALA H H 7.921 0.030 1 444 44 44 ALA HA H 4.291 0.030 1 445 44 44 ALA HB H 1.420 0.030 1 446 44 44 ALA C C 178.692 0.300 1 447 44 44 ALA CA C 51.918 0.300 1 448 44 44 ALA CB C 19.735 0.300 1 449 44 44 ALA N N 125.993 0.300 1 450 45 45 GLU H H 9.179 0.030 1 451 45 45 GLU HA H 4.038 0.030 1 452 45 45 GLU HB2 H 2.042 0.030 1 453 45 45 GLU HB3 H 2.042 0.030 1 454 45 45 GLU HG2 H 2.374 0.030 1 455 45 45 GLU HG3 H 2.374 0.030 1 456 45 45 GLU C C 176.374 0.300 1 457 45 45 GLU CA C 59.078 0.300 1 458 45 45 GLU CB C 29.380 0.300 1 459 45 45 GLU CG C 36.420 0.300 1 460 45 45 GLU N N 122.923 0.300 1 461 46 46 ASP H H 8.440 0.030 1 462 46 46 ASP HA H 4.632 0.030 1 463 46 46 ASP HB2 H 2.808 0.030 2 464 46 46 ASP HB3 H 2.738 0.030 2 465 46 46 ASP C C 175.560 0.300 1 466 46 46 ASP CA C 53.762 0.300 1 467 46 46 ASP CB C 41.030 0.300 1 468 46 46 ASP N N 116.842 0.300 1 469 47 47 GLY H H 7.288 0.030 1 470 47 47 GLY HA2 H 4.610 0.030 2 471 47 47 GLY HA3 H 3.939 0.030 2 472 47 47 GLY C C 172.344 0.300 1 473 47 47 GLY CA C 45.555 0.300 1 474 47 47 GLY N N 106.355 0.300 1 475 48 48 PRO HA H 4.351 0.030 1 476 48 48 PRO HB2 H 2.588 0.030 2 477 48 48 PRO HB3 H 2.325 0.030 2 478 48 48 PRO HG2 H 2.556 0.030 2 479 48 48 PRO HG3 H 2.293 0.030 2 480 48 48 PRO HD2 H 3.777 0.030 2 481 48 48 PRO HD3 H 3.376 0.030 2 482 48 48 PRO C C 179.190 0.300 1 483 48 48 PRO CA C 64.986 0.300 1 484 48 48 PRO CB C 32.229 0.300 1 485 48 48 PRO CG C 28.200 0.300 1 486 48 48 PRO CD C 49.903 0.300 1 487 49 49 ALA H H 7.522 0.030 1 488 49 49 ALA HA H 4.344 0.030 1 489 49 49 ALA HB H 1.624 0.030 1 490 49 49 ALA C C 180.440 0.300 1 491 49 49 ALA CA C 55.816 0.300 1 492 49 49 ALA CB C 19.491 0.300 1 493 49 49 ALA N N 121.297 0.300 1 494 50 50 ILE H H 9.017 0.030 1 495 50 50 ILE HA H 4.134 0.030 1 496 50 50 ILE HB H 1.890 0.030 1 497 50 50 ILE HG12 H 1.574 0.030 2 498 50 50 ILE HG13 H 1.400 0.030 2 499 50 50 ILE HG2 H 1.170 0.030 1 500 50 50 ILE HD1 H 0.910 0.030 1 501 50 50 ILE C C 177.272 0.300 1 502 50 50 ILE CA C 63.597 0.300 1 503 50 50 ILE CB C 38.270 0.300 1 504 50 50 ILE CG1 C 30.313 0.300 1 505 50 50 ILE CG2 C 17.312 0.300 1 506 50 50 ILE CD1 C 14.053 0.300 1 507 50 50 ILE N N 121.236 0.300 1 508 51 51 ARG H H 7.419 0.030 1 509 51 51 ARG HA H 4.144 0.030 1 510 51 51 ARG HB2 H 1.954 0.030 2 511 51 51 ARG HB3 H 1.871 0.030 2 512 51 51 ARG HG2 H 1.857 0.030 2 513 51 51 ARG HG3 H 1.672 0.030 2 514 51 51 ARG HD2 H 3.183 0.030 2 515 51 51 ARG C C 177.770 0.300 1 516 51 51 ARG CA C 58.138 0.300 1 517 51 51 ARG CB C 30.498 0.300 1 518 51 51 ARG CG C 28.234 0.300 1 519 51 51 ARG CD C 43.429 0.300 1 520 51 51 ARG N N 120.761 0.300 1 521 52 52 ASN H H 7.908 0.030 1 522 52 52 ASN HA H 4.455 0.030 1 523 52 52 ASN HB2 H 3.029 0.030 2 524 52 52 ASN HB3 H 2.868 0.030 2 525 52 52 ASN HD21 H 8.027 0.030 2 526 52 52 ASN HD22 H 6.965 0.030 2 527 52 52 ASN C C 176.835 0.300 1 528 52 52 ASN CA C 56.609 0.300 1 529 52 52 ASN CB C 40.180 0.300 1 530 52 52 ASN N N 118.045 0.300 1 531 52 52 ASN ND2 N 113.444 0.300 1 532 53 53 GLY H H 7.532 0.030 1 533 53 53 GLY HA2 H 4.123 0.030 2 534 53 53 GLY HA3 H 3.893 0.030 2 535 53 53 GLY C C 174.711 0.300 1 536 53 53 GLY CA C 46.444 0.300 1 537 53 53 GLY N N 105.080 0.300 1 538 54 54 ARG H H 8.140 0.030 1 539 54 54 ARG HA H 4.193 0.030 1 540 54 54 ARG HB2 H 1.811 0.030 2 541 54 54 ARG HB3 H 1.701 0.030 2 542 54 54 ARG HG2 H 1.631 0.030 2 543 54 54 ARG HG3 H 1.441 0.030 2 544 54 54 ARG HD2 H 3.332 0.030 2 545 54 54 ARG HD3 H 3.161 0.030 2 546 54 54 ARG C C 176.119 0.300 1 547 54 54 ARG CA C 57.585 0.300 1 548 54 54 ARG CB C 31.814 0.300 1 549 54 54 ARG CG C 27.700 0.300 1 550 54 54 ARG CD C 43.929 0.300 1 551 54 54 ARG N N 118.884 0.300 1 552 55 55 MET H H 8.190 0.030 1 553 55 55 MET HA H 4.455 0.030 1 554 55 55 MET HB2 H 1.857 0.030 2 555 55 55 MET HB3 H 1.814 0.030 2 556 55 55 MET HG2 H 2.259 0.030 1 557 55 55 MET HG3 H 2.259 0.030 1 558 55 55 MET HE H 1.013 0.030 1 559 55 55 MET C C 174.346 0.300 1 560 55 55 MET CA C 55.839 0.300 1 561 55 55 MET CB C 35.912 0.300 1 562 55 55 MET CG C 31.801 0.300 1 563 55 55 MET CE C 16.185 0.300 1 564 55 55 MET N N 117.327 0.300 1 565 56 56 ARG H H 9.228 0.030 1 566 56 56 ARG HA H 4.585 0.030 1 567 56 56 ARG HB2 H 1.813 0.030 2 568 56 56 ARG HB3 H 1.730 0.030 2 569 56 56 ARG HG2 H 1.672 0.030 2 570 56 56 ARG HG3 H 1.544 0.030 2 571 56 56 ARG HD2 H 3.148 0.030 2 572 56 56 ARG HD3 H 2.984 0.030 2 573 56 56 ARG HE H 7.192 0.030 1 574 56 56 ARG C C 175.730 0.300 1 575 56 56 ARG CA C 54.418 0.300 1 576 56 56 ARG CB C 34.718 0.300 1 577 56 56 ARG CG C 27.131 0.300 1 578 56 56 ARG CD C 44.090 0.300 1 579 56 56 ARG N N 124.146 0.300 1 580 56 56 ARG NE N 85.432 0.300 1 581 57 57 VAL H H 8.405 0.030 1 582 57 57 VAL HA H 3.211 0.030 1 583 57 57 VAL HB H 1.903 0.030 1 584 57 57 VAL HG1 H 1.021 0.030 1 585 57 57 VAL HG2 H 0.969 0.030 1 586 57 57 VAL C C 177.697 0.300 1 587 57 57 VAL CA C 65.804 0.300 1 588 57 57 VAL CB C 31.660 0.300 1 589 57 57 VAL CG1 C 22.725 0.300 2 590 57 57 VAL CG2 C 21.455 0.300 2 591 57 57 VAL N N 120.462 0.300 1 592 58 58 GLY H H 8.872 0.030 1 593 58 58 GLY HA2 H 4.558 0.030 2 594 58 58 GLY HA3 H 3.644 0.030 2 595 58 58 GLY C C 174.492 0.300 1 596 58 58 GLY CA C 44.816 0.300 1 597 58 58 GLY N N 115.934 0.300 1 598 59 59 ASP H H 7.899 0.030 1 599 59 59 ASP HA H 4.717 0.030 1 600 59 59 ASP HB2 H 2.618 0.030 2 601 59 59 ASP HB3 H 2.442 0.030 2 602 59 59 ASP C C 175.500 0.300 1 603 59 59 ASP CA C 56.036 0.300 1 604 59 59 ASP CB C 41.493 0.300 1 605 59 59 ASP N N 122.339 0.300 1 606 60 60 GLN H H 9.006 0.030 1 607 60 60 GLN HA H 4.589 0.030 1 608 60 60 GLN HB2 H 1.993 0.030 2 609 60 60 GLN HB3 H 1.780 0.030 2 610 60 60 GLN HG2 H 1.877 0.030 1 611 60 60 GLN HG3 H 1.877 0.030 1 612 60 60 GLN HE21 H 7.412 0.030 2 613 60 60 GLN HE22 H 6.639 0.030 2 614 60 60 GLN C C 175.500 0.300 1 615 60 60 GLN CA C 54.706 0.300 1 616 60 60 GLN CB C 29.992 0.300 1 617 60 60 GLN CG C 33.038 0.300 1 618 60 60 GLN N N 123.516 0.300 1 619 60 60 GLN NE2 N 109.781 0.300 1 620 61 61 ILE H H 8.652 0.030 1 621 61 61 ILE HA H 4.110 0.030 1 622 61 61 ILE HB H 1.561 0.030 1 623 61 61 ILE HG12 H 1.483 0.030 2 624 61 61 ILE HG13 H 0.563 0.030 2 625 61 61 ILE HG2 H 0.718 0.030 1 626 61 61 ILE HD1 H 0.699 0.030 1 627 61 61 ILE C C 175.815 0.300 1 628 61 61 ILE CA C 61.726 0.300 1 629 61 61 ILE CB C 38.077 0.300 1 630 61 61 ILE CG1 C 27.302 0.300 1 631 61 61 ILE CG2 C 19.305 0.300 1 632 61 61 ILE CD1 C 14.368 0.300 1 633 61 61 ILE N N 124.943 0.300 1 634 62 62 ILE H H 9.364 0.030 1 635 62 62 ILE HA H 4.200 0.030 1 636 62 62 ILE HB H 1.884 0.030 1 637 62 62 ILE HG12 H 1.393 0.030 2 638 62 62 ILE HG13 H 1.061 0.030 2 639 62 62 ILE HG2 H 1.088 0.030 1 640 62 62 ILE HD1 H 0.506 0.030 1 641 62 62 ILE C C 175.520 0.300 1 642 62 62 ILE CA C 60.291 0.300 1 643 62 62 ILE CB C 37.108 0.300 1 644 62 62 ILE CG1 C 27.320 0.300 1 645 62 62 ILE CG2 C 18.532 0.300 1 646 62 62 ILE CD1 C 8.751 0.300 1 647 62 62 ILE N N 132.041 0.300 1 648 63 63 GLU H H 7.694 0.030 1 649 63 63 GLU HA H 5.141 0.030 1 650 63 63 GLU HG2 H 2.074 0.030 2 651 63 63 GLU HG3 H 1.823 0.030 2 652 63 63 GLU C C 175.388 0.300 1 653 63 63 GLU CA C 55.796 0.300 1 654 63 63 GLU CG C 37.025 0.300 1 655 63 63 GLU N N 121.040 0.300 1 656 64 64 ILE H H 8.594 0.030 1 657 64 64 ILE HA H 4.405 0.030 1 658 64 64 ILE HB H 1.480 0.030 1 659 64 64 ILE HG12 H 1.271 0.030 2 660 64 64 ILE HG13 H 0.625 0.030 2 661 64 64 ILE HG2 H 0.666 0.030 1 662 64 64 ILE HD1 H 0.804 0.030 1 663 64 64 ILE C C 174.796 0.300 1 664 64 64 ILE CA C 60.718 0.300 1 665 64 64 ILE CB C 40.998 0.300 1 666 64 64 ILE CG1 C 27.517 0.300 1 667 64 64 ILE CG2 C 17.839 0.300 1 668 64 64 ILE CD1 C 14.215 0.300 1 669 64 64 ILE N N 122.867 0.300 1 670 65 65 ASN H H 9.807 0.030 1 671 65 65 ASN HA H 4.311 0.030 1 672 65 65 ASN HB2 H 3.052 0.030 2 673 65 65 ASN HB3 H 2.797 0.030 2 674 65 65 ASN HD21 H 8.476 0.030 2 675 65 65 ASN HD22 H 6.598 0.030 2 676 65 65 ASN C C 175.403 0.300 1 677 65 65 ASN CA C 54.188 0.300 1 678 65 65 ASN CB C 37.296 0.300 1 679 65 65 ASN N N 125.997 0.300 1 680 65 65 ASN ND2 N 114.901 0.300 1 681 66 66 GLY H H 8.743 0.030 1 682 66 66 GLY HA2 H 4.197 0.030 2 683 66 66 GLY HA3 H 3.400 0.030 2 684 66 66 GLY C C 173.096 0.300 1 685 66 66 GLY CA C 45.334 0.300 1 686 66 66 GLY N N 103.147 0.300 1 687 67 67 GLU H H 8.103 0.030 1 688 67 67 GLU HA H 4.532 0.030 1 689 67 67 GLU HB2 H 2.007 0.030 1 690 67 67 GLU HB3 H 2.007 0.030 1 691 67 67 GLU HG2 H 2.254 0.030 2 692 67 67 GLU HG3 H 2.158 0.030 2 693 67 67 GLU C C 175.281 0.300 1 694 67 67 GLU CA C 55.156 0.300 1 695 67 67 GLU CB C 30.552 0.300 1 696 67 67 GLU CG C 35.835 0.300 1 697 67 67 GLU N N 122.217 0.300 1 698 68 68 SER H H 8.761 0.030 1 699 68 68 SER HA H 4.658 0.030 1 700 68 68 SER HB2 H 4.318 0.030 2 701 68 68 SER HB3 H 3.810 0.030 2 702 68 68 SER C C 176.568 0.300 1 703 68 68 SER CB C 63.973 0.300 1 704 68 68 SER N N 119.829 0.300 1 705 69 69 THR H H 8.198 0.030 1 706 69 69 THR HA H 4.379 0.030 1 707 69 69 THR HB H 4.781 0.030 1 708 69 69 THR HG2 H 1.066 0.030 1 709 69 69 THR C C 175.524 0.300 1 710 69 69 THR CA C 60.964 0.300 1 711 69 69 THR CB C 68.320 0.300 1 712 69 69 THR CG2 C 21.618 0.300 1 713 69 69 THR N N 115.205 0.300 1 714 70 70 ARG H H 7.930 0.030 1 715 70 70 ARG HA H 3.746 0.030 1 716 70 70 ARG HB2 H 1.591 0.030 2 717 70 70 ARG HB3 H 1.356 0.030 2 718 70 70 ARG HG2 H 1.453 0.030 2 719 70 70 ARG HD2 H 3.099 0.030 2 720 70 70 ARG C C 177.029 0.300 1 721 70 70 ARG CA C 58.911 0.300 1 722 70 70 ARG CB C 29.619 0.300 1 723 70 70 ARG CG C 26.758 0.300 1 724 70 70 ARG CD C 43.548 0.300 1 725 70 70 ARG N N 127.014 0.300 1 726 71 71 ASP H H 9.247 0.030 1 727 71 71 ASP HA H 4.445 0.030 1 728 71 71 ASP HB2 H 2.957 0.030 2 729 71 71 ASP HB3 H 2.641 0.030 2 730 71 71 ASP C C 174.310 0.300 1 731 71 71 ASP CA C 55.678 0.300 1 732 71 71 ASP CB C 40.631 0.300 1 733 72 72 MET H H 7.858 0.030 1 734 72 72 MET HA H 4.432 0.030 1 735 72 72 MET HB2 H 3.380 0.030 2 736 72 72 MET HB3 H 2.361 0.030 2 737 72 72 MET HG2 H 1.994 0.030 2 738 72 72 MET HG3 H 1.893 0.030 2 739 72 72 MET HE H 1.963 0.030 1 740 72 72 MET C C 178.122 0.300 1 741 72 72 MET CA C 56.455 0.300 1 742 72 72 MET CB C 31.582 0.300 1 743 72 72 MET CG C 36.632 0.300 1 744 72 72 MET CE C 17.628 0.300 1 745 72 72 MET N N 120.095 0.300 1 746 73 73 THR H H 8.673 0.030 1 747 73 73 THR HA H 4.623 0.030 1 748 73 73 THR HB H 5.072 0.030 1 749 73 73 THR HG2 H 1.382 0.030 1 750 73 73 THR C C 175.039 0.300 1 751 73 73 THR CA C 61.210 0.300 1 752 73 73 THR CB C 69.659 0.300 1 753 73 73 THR CG2 C 22.394 0.300 1 754 73 73 THR N N 117.850 0.300 1 755 74 74 HIS H H 12.392 0.030 1 756 74 74 HIS HA H 3.923 0.030 1 757 74 74 HIS HB2 H 4.239 0.030 2 758 74 74 HIS HB3 H 3.507 0.030 2 759 74 74 HIS HD2 H 7.020 0.030 1 760 74 74 HIS HE1 H 8.105 0.030 1 761 74 74 HIS C C 177.660 0.300 1 762 74 74 HIS CA C 61.077 0.300 1 763 74 74 HIS CB C 28.640 0.300 1 764 74 74 HIS CD2 C 121.830 0.300 1 765 74 74 HIS CE1 C 137.001 0.300 1 766 74 74 HIS N N 128.152 0.300 1 767 75 75 ALA H H 8.013 0.030 1 768 75 75 ALA HA H 4.151 0.030 1 769 75 75 ALA HB H 1.515 0.030 1 770 75 75 ALA C C 180.367 0.300 1 771 75 75 ALA CA C 55.311 0.300 1 772 75 75 ALA CB C 18.493 0.300 1 773 75 75 ALA N N 116.842 0.300 1 774 76 76 ARG H H 8.425 0.030 1 775 76 76 ARG HA H 4.151 0.030 1 776 76 76 ARG HB2 H 2.090 0.030 2 777 76 76 ARG HB3 H 1.830 0.030 2 778 76 76 ARG HG2 H 1.869 0.030 2 779 76 76 ARG HG3 H 1.705 0.030 2 780 76 76 ARG HD2 H 3.520 0.030 2 781 76 76 ARG HD3 H 3.123 0.030 2 782 76 76 ARG HE H 7.597 0.030 1 783 76 76 ARG C C 177.175 0.300 1 784 76 76 ARG CA C 57.778 0.300 1 785 76 76 ARG CB C 29.786 0.300 1 786 76 76 ARG CG C 26.563 0.300 1 787 76 76 ARG CD C 43.325 0.300 1 788 76 76 ARG N N 120.531 0.300 1 789 76 76 ARG NE N 85.696 0.300 1 790 77 77 ALA H H 7.974 0.030 1 791 77 77 ALA HA H 4.002 0.030 1 792 77 77 ALA HB H 1.243 0.030 1 793 77 77 ALA C C 179.299 0.300 1 794 77 77 ALA CA C 55.966 0.300 1 795 77 77 ALA CB C 18.446 0.300 1 796 77 77 ALA N N 123.048 0.300 1 797 78 78 ILE H H 7.896 0.030 1 798 78 78 ILE HA H 3.721 0.030 1 799 78 78 ILE HB H 2.120 0.030 1 800 78 78 ILE HG12 H 1.532 0.030 2 801 78 78 ILE HG13 H 1.436 0.030 2 802 78 78 ILE HG2 H 0.946 0.030 1 803 78 78 ILE HD1 H 0.739 0.030 1 804 78 78 ILE C C 179.105 0.300 1 805 78 78 ILE CA C 62.921 0.300 1 806 78 78 ILE CB C 36.339 0.300 1 807 78 78 ILE CG1 C 27.271 0.300 1 808 78 78 ILE CG2 C 17.664 0.300 1 809 78 78 ILE CD1 C 10.623 0.300 1 810 78 78 ILE N N 114.607 0.300 1 811 79 79 GLU H H 7.857 0.030 1 812 79 79 GLU HA H 4.065 0.030 1 813 79 79 GLU HB2 H 2.250 0.030 1 814 79 79 GLU HB3 H 2.250 0.030 1 815 79 79 GLU HG2 H 2.385 0.030 2 816 79 79 GLU HG3 H 2.250 0.030 2 817 79 79 GLU C C 179.858 0.300 1 818 79 79 GLU CA C 59.432 0.300 1 819 79 79 GLU CB C 29.868 0.300 1 820 79 79 GLU CG C 36.101 0.300 1 821 79 79 GLU N N 121.928 0.300 1 822 80 80 LEU H H 8.916 0.030 1 823 80 80 LEU HA H 4.083 0.030 1 824 80 80 LEU HB2 H 1.986 0.030 2 825 80 80 LEU HB3 H 1.284 0.030 2 826 80 80 LEU HG H 1.633 0.030 1 827 80 80 LEU HD1 H 0.911 0.030 1 828 80 80 LEU HD2 H 0.897 0.030 1 829 80 80 LEU C C 180.283 0.300 1 830 80 80 LEU CA C 57.790 0.300 1 831 80 80 LEU CB C 43.198 0.300 1 832 80 80 LEU CG C 27.482 0.300 1 833 80 80 LEU CD1 C 26.188 0.300 2 834 80 80 LEU CD2 C 23.700 0.300 2 835 80 80 LEU N N 122.149 0.300 1 836 81 81 ILE H H 8.082 0.030 1 837 81 81 ILE HA H 3.569 0.030 1 838 81 81 ILE HB H 1.907 0.030 1 839 81 81 ILE HG12 H 2.038 0.030 2 840 81 81 ILE HG13 H 0.763 0.030 2 841 81 81 ILE HG2 H 0.912 0.030 1 842 81 81 ILE HD1 H 0.769 0.030 1 843 81 81 ILE C C 179.445 0.300 1 844 81 81 ILE CA C 65.171 0.300 1 845 81 81 ILE CB C 38.313 0.300 1 846 81 81 ILE CG1 C 30.600 0.300 1 847 81 81 ILE CG2 C 17.726 0.300 1 848 81 81 ILE CD1 C 13.651 0.300 1 849 81 81 ILE N N 120.142 0.300 1 850 82 82 LYS H H 8.179 0.030 1 851 82 82 LYS HA H 4.254 0.030 1 852 82 82 LYS HB2 H 2.021 0.030 1 853 82 82 LYS HB3 H 2.021 0.030 1 854 82 82 LYS HG2 H 1.669 0.030 2 855 82 82 LYS HG3 H 1.516 0.030 2 856 82 82 LYS HD2 H 1.736 0.030 1 857 82 82 LYS HD3 H 1.736 0.030 1 858 82 82 LYS HE2 H 2.996 0.030 1 859 82 82 LYS HE3 H 2.996 0.030 1 860 82 82 LYS C C 179.785 0.300 1 861 82 82 LYS CA C 59.589 0.300 1 862 82 82 LYS CB C 32.702 0.300 1 863 82 82 LYS CG C 25.369 0.300 1 864 82 82 LYS CD C 29.614 0.300 1 865 82 82 LYS CE C 42.093 0.300 1 866 82 82 LYS N N 119.762 0.300 1 867 83 83 SER H H 8.542 0.030 1 868 83 83 SER HA H 4.406 0.030 1 869 83 83 SER HB2 H 4.112 0.030 1 870 83 83 SER HB3 H 4.112 0.030 1 871 83 83 SER C C 175.816 0.300 1 872 83 83 SER CA C 60.871 0.300 1 873 83 83 SER CB C 63.552 0.300 1 874 83 83 SER N N 114.909 0.300 1 875 84 84 GLY H H 7.711 0.030 1 876 84 84 GLY HA2 H 4.302 0.030 2 877 84 84 GLY HA3 H 4.208 0.030 2 878 84 84 GLY C C 175.124 0.300 1 879 84 84 GLY CA C 45.947 0.300 1 880 84 84 GLY N N 109.131 0.300 1 881 85 85 GLY H H 7.746 0.030 1 882 85 85 GLY HA2 H 4.260 0.030 2 883 85 85 GLY HA3 H 3.792 0.030 2 884 85 85 GLY C C 174.747 0.300 1 885 85 85 GLY CA C 46.250 0.300 1 886 85 85 GLY N N 107.368 0.300 1 887 86 86 ARG H H 8.796 0.030 1 888 86 86 ARG HA H 4.098 0.030 1 889 86 86 ARG HB2 H 2.101 0.030 2 890 86 86 ARG HB3 H 1.972 0.030 2 891 86 86 ARG HG2 H 1.820 0.030 2 892 86 86 ARG HG3 H 1.757 0.030 2 893 86 86 ARG HD2 H 3.282 0.030 1 894 86 86 ARG HD3 H 3.282 0.030 1 895 86 86 ARG C C 174.687 0.300 1 896 86 86 ARG CA C 57.786 0.300 1 897 86 86 ARG CB C 30.836 0.300 1 898 86 86 ARG CG C 27.761 0.300 1 899 86 86 ARG CD C 43.311 0.300 1 900 86 86 ARG N N 123.567 0.300 1 901 87 87 ARG H H 7.647 0.030 1 902 87 87 ARG HA H 5.724 0.030 1 903 87 87 ARG HB2 H 1.862 0.030 2 904 87 87 ARG HB3 H 1.708 0.030 2 905 87 87 ARG HG2 H 1.660 0.030 2 906 87 87 ARG HG3 H 1.488 0.030 2 907 87 87 ARG HD2 H 3.207 0.030 2 908 87 87 ARG HD3 H 3.122 0.030 2 909 87 87 ARG HE H 7.854 0.030 1 910 87 87 ARG C C 175.087 0.300 1 911 87 87 ARG CA C 54.417 0.300 1 912 87 87 ARG CB C 34.714 0.300 1 913 87 87 ARG CG C 27.798 0.300 1 914 87 87 ARG CD C 43.205 0.300 1 915 87 87 ARG N N 116.328 0.300 1 916 87 87 ARG NE N 84.947 0.300 1 917 88 88 VAL H H 8.572 0.030 1 918 88 88 VAL HA H 4.693 0.030 1 919 88 88 VAL HB H 1.172 0.030 1 920 88 88 VAL HG1 H 0.234 0.030 1 921 88 88 VAL HG2 H 0.774 0.030 1 922 88 88 VAL C C 171.033 0.300 1 923 88 88 VAL CA C 59.556 0.300 1 924 88 88 VAL CB C 34.584 0.300 1 925 88 88 VAL CG1 C 20.601 0.300 2 926 88 88 VAL CG2 C 22.551 0.300 2 927 88 88 VAL N N 120.835 0.300 1 928 89 89 ARG H H 8.105 0.030 1 929 89 89 ARG HA H 5.361 0.030 1 930 89 89 ARG HB2 H 1.747 0.030 1 931 89 89 ARG HB3 H 1.747 0.030 1 932 89 89 ARG HG2 H 1.538 0.030 1 933 89 89 ARG HG3 H 1.538 0.030 1 934 89 89 ARG HD2 H 3.100 0.030 1 935 89 89 ARG HD3 H 3.100 0.030 1 936 89 89 ARG HE H 7.521 0.030 1 937 89 89 ARG C C 175.306 0.300 1 938 89 89 ARG CA C 54.237 0.300 1 939 89 89 ARG CB C 32.549 0.300 1 940 89 89 ARG CG C 27.318 0.300 1 941 89 89 ARG CD C 43.661 0.300 1 942 89 89 ARG N N 125.682 0.300 1 943 89 89 ARG NE N 85.026 0.300 1 944 90 90 LEU H H 8.947 0.030 1 945 90 90 LEU HA H 5.161 0.030 1 946 90 90 LEU HB2 H 1.458 0.030 2 947 90 90 LEU HB3 H 1.124 0.030 2 948 90 90 LEU HG H 1.355 0.030 1 949 90 90 LEU HD1 H 0.334 0.030 1 950 90 90 LEU HD2 H 0.790 0.030 1 951 90 90 LEU C C 174.928 0.300 1 952 90 90 LEU CA C 52.647 0.300 1 953 90 90 LEU CB C 46.241 0.300 1 954 90 90 LEU CG C 26.527 0.300 1 955 90 90 LEU CD1 C 26.491 0.300 2 956 90 90 LEU CD2 C 25.224 0.300 2 957 90 90 LEU N N 122.339 0.300 1 958 91 91 LEU H H 8.086 0.030 1 959 91 91 LEU HA H 4.615 0.030 1 960 91 91 LEU HB2 H 1.764 0.030 2 961 91 91 LEU HB3 H 1.301 0.030 2 962 91 91 LEU HG H 1.309 0.030 1 963 91 91 LEU HD1 H 0.738 0.030 1 964 91 91 LEU HD2 H 0.706 0.030 1 965 91 91 LEU C C 174.796 0.300 1 966 91 91 LEU CA C 54.894 0.300 1 967 91 91 LEU CB C 45.456 0.300 1 968 91 91 LEU CG C 28.982 0.300 1 969 91 91 LEU CD1 C 24.338 0.300 2 970 91 91 LEU CD2 C 25.980 0.300 2 971 91 91 LEU N N 125.682 0.300 1 972 92 92 LEU H H 8.984 0.030 1 973 92 92 LEU HA H 5.105 0.030 1 974 92 92 LEU HB2 H 0.728 0.030 2 975 92 92 LEU HB3 H 0.274 0.030 2 976 92 92 LEU HG H 1.082 0.030 1 977 92 92 LEU HD1 H 0.697 0.030 1 978 92 92 LEU HD2 H 0.594 0.030 1 979 92 92 LEU C C 172.629 0.300 1 980 92 92 LEU CA C 52.845 0.300 1 981 92 92 LEU CB C 45.084 0.300 1 982 92 92 LEU CG C 27.476 0.300 1 983 92 92 LEU CD1 C 27.311 0.300 2 984 92 92 LEU CD2 C 26.695 0.300 2 985 92 92 LEU N N 128.579 0.300 1 986 93 93 LYS H H 7.693 0.030 1 987 93 93 LYS HB2 H 1.130 0.030 2 988 93 93 LYS HB3 H 0.920 0.030 2 989 93 93 LYS HG2 H 0.691 0.030 2 990 93 93 LYS HG3 H 0.026 0.030 2 991 93 93 LYS HD2 H 1.202 0.030 2 992 93 93 LYS HD3 H 1.112 0.030 2 993 93 93 LYS HE2 H 2.384 0.030 1 994 93 93 LYS HE3 H 2.384 0.030 1 995 93 93 LYS C C 172.659 0.300 1 996 93 93 LYS CB C 37.420 0.300 1 997 93 93 LYS CG C 24.630 0.300 1 998 93 93 LYS CD C 30.036 0.300 1 999 93 93 LYS CE C 41.923 0.300 1 1000 93 93 LYS N N 119.551 0.300 1 1001 94 94 ARG H H 8.389 0.030 1 1002 94 94 ARG HA H 4.643 0.030 1 1003 94 94 ARG HB2 H 1.884 0.030 2 1004 94 94 ARG HG2 H 1.819 0.030 2 1005 94 94 ARG HG3 H 1.775 0.030 2 1006 94 94 ARG HD2 H 3.304 0.030 2 1007 94 94 ARG HD3 H 3.161 0.030 2 1008 94 94 ARG C C 176.301 0.300 1 1009 94 94 ARG CA C 55.438 0.300 1 1010 94 94 ARG CB C 31.992 0.300 1 1011 94 94 ARG CG C 26.078 0.300 1 1012 94 94 ARG CD C 42.913 0.300 1 1013 94 94 ARG N N 118.729 0.300 1 1014 95 95 GLY H H 9.043 0.030 1 1015 95 95 GLY HA2 H 4.323 0.030 2 1016 95 95 GLY HA3 H 3.863 0.030 2 1017 95 95 GLY C C 174.334 0.300 1 1018 95 95 GLY CA C 45.370 0.300 1 1019 95 95 GLY N N 114.434 0.300 1 1020 96 96 THR H H 8.171 0.030 1 1021 96 96 THR HA H 4.359 0.030 1 1022 96 96 THR HB H 4.276 0.030 1 1023 96 96 THR HG2 H 1.181 0.030 1 1024 96 96 THR C C 175.536 0.300 1 1025 96 96 THR CA C 61.879 0.300 1 1026 96 96 THR CB C 69.885 0.300 1 1027 96 96 THR CG2 C 21.624 0.300 1 1028 96 96 THR N N 113.573 0.300 1 1029 97 97 GLY H H 8.475 0.030 1 1030 97 97 GLY HA2 H 4.023 0.030 1 1031 97 97 GLY HA3 H 4.023 0.030 1 1032 97 97 GLY C C 174.165 0.300 1 1033 97 97 GLY CA C 45.581 0.300 1 1034 97 97 GLY N N 111.234 0.300 1 1035 98 98 SER H H 8.240 0.030 1 1036 98 98 SER HA H 4.507 0.030 1 1037 98 98 SER HB2 H 3.860 0.030 1 1038 98 98 SER HB3 H 3.860 0.030 1 1039 98 98 SER C C 174.602 0.300 1 1040 98 98 SER CA C 58.268 0.300 1 1041 98 98 SER CB C 64.124 0.300 1 1042 98 98 SER N N 115.507 0.300 1 1043 99 99 GLY H H 8.320 0.030 1 1044 99 99 GLY HA2 H 4.119 0.030 2 1045 99 99 GLY HA3 H 4.072 0.030 2 1046 99 99 GLY C C 171.785 0.300 1 1047 99 99 GLY CA C 44.653 0.300 1 1048 99 99 GLY N N 110.740 0.300 1 1049 100 100 PRO HA H 4.471 0.030 1 1050 100 100 PRO HB2 H 2.287 0.030 2 1051 100 100 PRO HB3 H 1.976 0.030 2 1052 100 100 PRO HG2 H 1.991 0.030 1 1053 100 100 PRO HG3 H 1.991 0.030 1 1054 100 100 PRO HD2 H 3.596 0.030 2 1055 100 100 PRO HD3 H 3.563 0.030 2 1056 100 100 PRO C C 177.369 0.300 1 1057 100 100 PRO CA C 63.287 0.300 1 1058 100 100 PRO CB C 32.207 0.300 1 1059 100 100 PRO CG C 27.183 0.300 1 1060 100 100 PRO CD C 49.779 0.300 1 1061 101 101 SER H H 8.509 0.030 1 1062 101 101 SER HA H 4.554 0.030 1 1063 101 101 SER HB2 H 3.947 0.030 1 1064 101 101 SER HB3 H 3.947 0.030 1 1065 101 101 SER C C 174.650 0.300 1 1066 101 101 SER CA C 58.713 0.300 1 1067 101 101 SER CB C 63.997 0.300 1 1068 101 101 SER N N 116.354 0.300 1 1069 102 102 SER H H 8.297 0.030 1 1070 102 102 SER HA H 4.505 0.030 1 1071 102 102 SER HB2 H 3.860 0.030 1 1072 102 102 SER HB3 H 3.860 0.030 1 1073 102 102 SER C C 173.922 0.300 1 1074 102 102 SER CA C 58.215 0.300 1 1075 102 102 SER CB C 64.131 0.300 1 1076 102 102 SER N N 117.750 0.300 1 1077 103 103 GLY H H 8.034 0.030 1 1078 103 103 GLY C C 178.972 0.300 1 1079 103 103 GLY CA C 46.216 0.300 1 1080 103 103 GLY N N 116.761 0.300 1 stop_ save_