data_10267 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structures of the PDZ domain of mus musculus PDZ domain-containing protein 1 ; _BMRB_accession_number 10267 _BMRB_flat_file_name bmr10267.str _Entry_type new _Submission_date 2008-12-15 _Accession_date 2008-12-15 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sato M. . . 2 Koshiba S. . . 3 Watanabe S. . . 4 Harada T. . . 5 Kigawa T. . . 6 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" 647 "13C chemical shifts" 481 "15N chemical shifts" 120 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-12-14 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structures of the PDZ domain of mus musculus PDZ domain-containing protein 1 ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sato M. . . 2 Koshiba S. . . 3 Watanabe S. . . 4 Harada T. . . 5 Kigawa T. . . 6 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 'PDZ domain-containing protein 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PDZ domain' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'PDZ domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 114 _Mol_residue_sequence ; GSSGSSGMASTFNPRECKLS KQEGQNYGFFLRIEKDTDGH LIRVIEEGSPAEKAGLLDGD RVLRINGVFVDKEEHAQVVE LVRKSGNSVTLLVLDGDSYE KAVKNQVDLKELDQ ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 MET 9 ALA 10 SER 11 THR 12 PHE 13 ASN 14 PRO 15 ARG 16 GLU 17 CYS 18 LYS 19 LEU 20 SER 21 LYS 22 GLN 23 GLU 24 GLY 25 GLN 26 ASN 27 TYR 28 GLY 29 PHE 30 PHE 31 LEU 32 ARG 33 ILE 34 GLU 35 LYS 36 ASP 37 THR 38 ASP 39 GLY 40 HIS 41 LEU 42 ILE 43 ARG 44 VAL 45 ILE 46 GLU 47 GLU 48 GLY 49 SER 50 PRO 51 ALA 52 GLU 53 LYS 54 ALA 55 GLY 56 LEU 57 LEU 58 ASP 59 GLY 60 ASP 61 ARG 62 VAL 63 LEU 64 ARG 65 ILE 66 ASN 67 GLY 68 VAL 69 PHE 70 VAL 71 ASP 72 LYS 73 GLU 74 GLU 75 HIS 76 ALA 77 GLN 78 VAL 79 VAL 80 GLU 81 LEU 82 VAL 83 ARG 84 LYS 85 SER 86 GLY 87 ASN 88 SER 89 VAL 90 THR 91 LEU 92 LEU 93 VAL 94 LEU 95 ASP 96 GLY 97 ASP 98 SER 99 TYR 100 GLU 101 LYS 102 ALA 103 VAL 104 LYS 105 ASN 106 GLN 107 VAL 108 ASP 109 LEU 110 LYS 111 GLU 112 LEU 113 ASP 114 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-11-11 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 2EDZ "Solution Structures Of The Pdz Domain Of Mus Musculus Pdz Domain-Containing Protein 1" 100.00 114 100.00 100.00 3.92e-75 PDB 3NGH "Molecular Analysis Of The Interaction Of The Hdl Receptor Sr-Bi With The Adaptor Protein Pdzk1" 88.60 106 99.01 99.01 1.56e-63 PDB 4F8K "Molecular Analysis Of The Interaction Between The Prostacyclin Receptor And The First Pdz Domain Of Pdzk1" 88.60 109 98.02 99.01 1.55e-62 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 mouse 10090 Eukaryota Metazoa Mus musculus 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 P060313-12 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-13C; U-15N]' 'd-Tris HCl' 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name XWINNMR _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20031121 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version 2.0.17 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 0.932 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 'Guntert, P.' . . stop_ loop_ _Task 'structure solution' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 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_ ####################### # 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 H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'PDZ domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 6 6 SER HA H 4.483 0.030 1 2 6 6 SER HB2 H 3.889 0.030 1 3 6 6 SER HB3 H 3.889 0.030 1 4 6 6 SER C C 175.167 0.300 1 5 6 6 SER CA C 58.759 0.300 1 6 6 6 SER CB C 64.069 0.300 1 7 7 7 GLY H H 8.431 0.030 1 8 7 7 GLY HA2 H 3.973 0.030 1 9 7 7 GLY HA3 H 3.973 0.030 1 10 7 7 GLY C C 174.570 0.300 1 11 7 7 GLY CA C 45.483 0.300 1 12 7 7 GLY N N 110.640 0.300 1 13 8 8 MET H H 8.239 0.030 1 14 8 8 MET HA H 4.386 0.030 1 15 8 8 MET HB2 H 2.020 0.030 1 16 8 8 MET HB3 H 2.020 0.030 1 17 8 8 MET HE H 2.068 0.030 1 18 8 8 MET HG2 H 2.552 0.030 2 19 8 8 MET HG3 H 2.490 0.030 2 20 8 8 MET C C 176.621 0.300 1 21 8 8 MET CA C 55.991 0.300 1 22 8 8 MET CB C 32.986 0.300 1 23 8 8 MET CE C 16.967 0.300 1 24 8 8 MET CG C 31.979 0.300 1 25 8 8 MET N N 120.219 0.300 1 26 9 9 ALA H H 8.435 0.030 1 27 9 9 ALA HA H 4.182 0.030 1 28 9 9 ALA HB H 1.383 0.030 1 29 9 9 ALA C C 177.951 0.300 1 30 9 9 ALA CA C 53.399 0.300 1 31 9 9 ALA CB C 18.955 0.300 1 32 9 9 ALA N N 124.459 0.300 1 33 10 10 SER H H 8.100 0.030 1 34 10 10 SER HA H 4.391 0.030 1 35 10 10 SER HB2 H 3.843 0.030 2 36 10 10 SER HB3 H 3.788 0.030 2 37 10 10 SER C C 174.467 0.300 1 38 10 10 SER CA C 58.709 0.300 1 39 10 10 SER CB C 63.778 0.300 1 40 10 10 SER N N 113.881 0.300 1 41 11 11 THR H H 7.821 0.030 1 42 11 11 THR HA H 4.191 0.030 1 43 11 11 THR HB H 3.998 0.030 1 44 11 11 THR HG2 H 0.984 0.030 1 45 11 11 THR C C 173.610 0.300 1 46 11 11 THR CA C 61.936 0.300 1 47 11 11 THR CB C 69.713 0.300 1 48 11 11 THR CG2 C 21.479 0.300 1 49 11 11 THR N N 114.471 0.300 1 50 12 12 PHE H H 7.946 0.030 1 51 12 12 PHE HA H 4.769 0.030 1 52 12 12 PHE HB2 H 2.975 0.030 2 53 12 12 PHE HB3 H 2.907 0.030 2 54 12 12 PHE HD1 H 7.201 0.030 1 55 12 12 PHE HD2 H 7.201 0.030 1 56 12 12 PHE HE1 H 7.291 0.030 1 57 12 12 PHE HE2 H 7.291 0.030 1 58 12 12 PHE HZ H 7.016 0.030 1 59 12 12 PHE C C 174.211 0.300 1 60 12 12 PHE CA C 56.644 0.300 1 61 12 12 PHE CB C 40.609 0.300 1 62 12 12 PHE CD1 C 131.706 0.300 1 63 12 12 PHE CD2 C 131.706 0.300 1 64 12 12 PHE CE1 C 131.507 0.300 1 65 12 12 PHE CE2 C 131.507 0.300 1 66 12 12 PHE CZ C 128.786 0.300 1 67 12 12 PHE N N 120.763 0.300 1 68 13 13 ASN H H 9.004 0.030 1 69 13 13 ASN HA H 5.366 0.030 1 70 13 13 ASN HB2 H 2.810 0.030 2 71 13 13 ASN HB3 H 2.666 0.030 2 72 13 13 ASN HD21 H 7.564 0.030 2 73 13 13 ASN HD22 H 6.776 0.030 2 74 13 13 ASN C C 172.158 0.300 1 75 13 13 ASN CA C 50.988 0.300 1 76 13 13 ASN CB C 39.942 0.300 1 77 13 13 ASN N N 119.973 0.300 1 78 13 13 ASN ND2 N 112.812 0.300 1 79 14 14 PRO HA H 4.945 0.030 1 80 14 14 PRO HB2 H 1.920 0.030 2 81 14 14 PRO HB3 H 1.820 0.030 2 82 14 14 PRO HD2 H 3.981 0.030 2 83 14 14 PRO HD3 H 3.490 0.030 2 84 14 14 PRO HG2 H 1.919 0.030 2 85 14 14 PRO HG3 H 1.678 0.030 2 86 14 14 PRO C C 174.901 0.300 1 87 14 14 PRO CA C 63.096 0.300 1 88 14 14 PRO CB C 32.739 0.300 1 89 14 14 PRO CD C 50.705 0.300 1 90 14 14 PRO CG C 27.299 0.300 1 91 15 15 ARG H H 8.908 0.030 1 92 15 15 ARG HA H 4.626 0.030 1 93 15 15 ARG HB2 H 1.697 0.030 2 94 15 15 ARG HB3 H 1.332 0.030 2 95 15 15 ARG HD2 H 3.279 0.030 2 96 15 15 ARG HD3 H 2.986 0.030 2 97 15 15 ARG HE H 6.808 0.030 1 98 15 15 ARG HG2 H 1.668 0.030 2 99 15 15 ARG HG3 H 1.464 0.030 2 100 15 15 ARG C C 174.432 0.300 1 101 15 15 ARG CA C 54.827 0.300 1 102 15 15 ARG CB C 32.439 0.300 1 103 15 15 ARG CD C 43.288 0.300 1 104 15 15 ARG CG C 27.938 0.300 1 105 15 15 ARG N N 118.947 0.300 1 106 15 15 ARG NE N 82.667 0.300 1 107 16 16 GLU H H 8.838 0.030 1 108 16 16 GLU HA H 4.876 0.030 1 109 16 16 GLU HB2 H 2.095 0.030 2 110 16 16 GLU HB3 H 1.730 0.030 2 111 16 16 GLU HG2 H 1.860 0.030 2 112 16 16 GLU HG3 H 1.760 0.030 2 113 16 16 GLU C C 175.767 0.300 1 114 16 16 GLU CA C 55.621 0.300 1 115 16 16 GLU CB C 31.093 0.300 1 116 16 16 GLU CG C 38.652 0.300 1 117 16 16 GLU N N 125.316 0.300 1 118 17 17 CYS H H 9.327 0.030 1 119 17 17 CYS HA H 4.804 0.030 1 120 17 17 CYS HB2 H 2.431 0.030 1 121 17 17 CYS HB3 H 2.431 0.030 1 122 17 17 CYS C C 172.973 0.300 1 123 17 17 CYS CA C 57.930 0.300 1 124 17 17 CYS CB C 30.105 0.300 1 125 17 17 CYS N N 127.909 0.300 1 126 18 18 LYS H H 9.022 0.030 1 127 18 18 LYS HA H 4.769 0.030 1 128 18 18 LYS HB2 H 1.787 0.030 2 129 18 18 LYS HB3 H 1.701 0.030 2 130 18 18 LYS HD2 H 1.626 0.030 1 131 18 18 LYS HD3 H 1.626 0.030 1 132 18 18 LYS HE2 H 2.878 0.030 1 133 18 18 LYS HE3 H 2.878 0.030 1 134 18 18 LYS HG2 H 1.328 0.030 1 135 18 18 LYS HG3 H 1.328 0.030 1 136 18 18 LYS C C 174.586 0.300 1 137 18 18 LYS CA C 55.956 0.300 1 138 18 18 LYS CB C 32.203 0.300 1 139 18 18 LYS CD C 29.372 0.300 1 140 18 18 LYS CE C 42.063 0.300 1 141 18 18 LYS CG C 25.197 0.300 1 142 18 18 LYS N N 127.039 0.300 1 143 19 19 LEU H H 8.784 0.030 1 144 19 19 LEU HA H 4.852 0.030 1 145 19 19 LEU HB2 H 1.473 0.030 1 146 19 19 LEU HB3 H 1.473 0.030 1 147 19 19 LEU HD1 H 0.494 0.030 1 148 19 19 LEU HD2 H 0.472 0.030 1 149 19 19 LEU HG H 1.462 0.030 1 150 19 19 LEU C C 176.862 0.300 1 151 19 19 LEU CA C 55.391 0.300 1 152 19 19 LEU CB C 44.442 0.300 1 153 19 19 LEU CD1 C 25.341 0.300 2 154 19 19 LEU CD2 C 27.147 0.300 2 155 19 19 LEU CG C 30.038 0.300 1 156 19 19 LEU N N 126.311 0.300 1 157 20 20 SER H H 8.215 0.030 1 158 20 20 SER HA H 5.461 0.030 1 159 20 20 SER HB2 H 3.842 0.030 2 160 20 20 SER HB3 H 3.790 0.030 2 161 20 20 SER C C 171.960 0.300 1 162 20 20 SER CA C 57.525 0.300 1 163 20 20 SER CB C 65.794 0.300 1 164 20 20 SER N N 115.113 0.300 1 165 21 21 LYS H H 9.001 0.030 1 166 21 21 LYS HA H 4.887 0.030 1 167 21 21 LYS HB2 H 1.492 0.030 2 168 21 21 LYS HB3 H 1.204 0.030 2 169 21 21 LYS HD2 H 0.644 0.030 2 170 21 21 LYS HD3 H -0.567 0.030 2 171 21 21 LYS HE2 H 2.565 0.030 2 172 21 21 LYS HE3 H 2.402 0.030 2 173 21 21 LYS HG2 H 0.883 0.030 2 174 21 21 LYS HG3 H 0.800 0.030 2 175 21 21 LYS C C 174.133 0.300 1 176 21 21 LYS CA C 53.840 0.300 1 177 21 21 LYS CB C 36.553 0.300 1 178 21 21 LYS CD C 28.082 0.300 1 179 21 21 LYS CE C 42.730 0.300 1 180 21 21 LYS CG C 21.695 0.300 1 181 21 21 LYS N N 120.938 0.300 1 182 22 22 GLN H H 8.201 0.030 1 183 22 22 GLN HA H 4.448 0.030 1 184 22 22 GLN HB2 H 2.125 0.030 2 185 22 22 GLN HB3 H 1.656 0.030 2 186 22 22 GLN HE21 H 7.535 0.030 2 187 22 22 GLN HE22 H 6.846 0.030 2 188 22 22 GLN HG2 H 2.350 0.030 1 189 22 22 GLN HG3 H 2.350 0.030 1 190 22 22 GLN C C 176.372 0.300 1 191 22 22 GLN CA C 53.658 0.300 1 192 22 22 GLN CB C 30.473 0.300 1 193 22 22 GLN CG C 33.901 0.300 1 194 22 22 GLN N N 116.816 0.300 1 195 22 22 GLN NE2 N 112.924 0.300 1 196 23 23 GLU H H 8.624 0.030 1 197 23 23 GLU HA H 4.056 0.030 1 198 23 23 GLU HB2 H 2.021 0.030 2 199 23 23 GLU HB3 H 1.851 0.030 2 200 23 23 GLU HG2 H 2.338 0.030 2 201 23 23 GLU HG3 H 2.140 0.030 2 202 23 23 GLU C C 177.778 0.300 1 203 23 23 GLU CA C 58.001 0.300 1 204 23 23 GLU CB C 29.237 0.300 1 205 23 23 GLU CG C 35.045 0.300 1 206 23 23 GLU N N 122.364 0.300 1 207 24 24 GLY H H 8.962 0.030 1 208 24 24 GLY HA2 H 4.139 0.030 2 209 24 24 GLY HA3 H 3.711 0.030 2 210 24 24 GLY C C 173.857 0.300 1 211 24 24 GLY CA C 45.288 0.300 1 212 24 24 GLY N N 113.942 0.300 1 213 25 25 GLN H H 7.643 0.030 1 214 25 25 GLN HA H 4.488 0.030 1 215 25 25 GLN HB2 H 2.187 0.030 2 216 25 25 GLN HB3 H 1.921 0.030 2 217 25 25 GLN HE21 H 7.722 0.030 2 218 25 25 GLN HE22 H 6.750 0.030 2 219 25 25 GLN HG2 H 2.457 0.030 2 220 25 25 GLN HG3 H 2.356 0.030 2 221 25 25 GLN C C 174.727 0.300 1 222 25 25 GLN CA C 54.052 0.300 1 223 25 25 GLN CB C 30.843 0.300 1 224 25 25 GLN CG C 33.727 0.300 1 225 25 25 GLN N N 119.538 0.300 1 226 25 25 GLN NE2 N 111.937 0.300 1 227 26 26 ASN H H 8.625 0.030 1 228 26 26 ASN HA H 4.862 0.030 1 229 26 26 ASN HB2 H 2.914 0.030 2 230 26 26 ASN HB3 H 2.752 0.030 2 231 26 26 ASN HD21 H 7.716 0.030 2 232 26 26 ASN HD22 H 7.071 0.030 2 233 26 26 ASN C C 176.261 0.300 1 234 26 26 ASN CA C 51.812 0.300 1 235 26 26 ASN CB C 40.403 0.300 1 236 26 26 ASN N N 120.047 0.300 1 237 26 26 ASN ND2 N 114.968 0.300 1 238 27 27 TYR HA H 4.152 0.030 1 239 27 27 TYR HB2 H 3.070 0.030 2 240 27 27 TYR HB3 H 2.701 0.030 2 241 27 27 TYR HD1 H 6.934 0.030 1 242 27 27 TYR HD2 H 6.934 0.030 1 243 27 27 TYR HE1 H 6.506 0.030 1 244 27 27 TYR HE2 H 6.506 0.030 1 245 27 27 TYR C C 176.731 0.300 1 246 27 27 TYR CA C 62.462 0.300 1 247 27 27 TYR CB C 40.240 0.300 1 248 27 27 TYR CD1 C 132.460 0.300 1 249 27 27 TYR CD2 C 132.460 0.300 1 250 27 27 TYR CE1 C 118.930 0.300 1 251 27 27 TYR CE2 C 118.930 0.300 1 252 27 27 TYR N N 121.761 0.300 1 253 28 28 GLY H H 8.285 0.030 1 254 28 28 GLY HA2 H 4.490 0.030 2 255 28 28 GLY HA3 H 3.759 0.030 2 256 28 28 GLY C C 172.198 0.300 1 257 28 28 GLY CA C 46.139 0.300 1 258 28 28 GLY N N 103.567 0.300 1 259 29 29 PHE H H 6.878 0.030 1 260 29 29 PHE HA H 5.179 0.030 1 261 29 29 PHE HB2 H 2.820 0.030 2 262 29 29 PHE HB3 H 2.617 0.030 2 263 29 29 PHE HD1 H 6.816 0.030 1 264 29 29 PHE HD2 H 6.816 0.030 1 265 29 29 PHE HE1 H 6.700 0.030 1 266 29 29 PHE HE2 H 6.700 0.030 1 267 29 29 PHE HZ H 6.705 0.030 1 268 29 29 PHE C C 172.840 0.300 1 269 29 29 PHE CA C 55.262 0.300 1 270 29 29 PHE CB C 41.779 0.300 1 271 29 29 PHE CD1 C 132.211 0.300 1 272 29 29 PHE CD2 C 132.211 0.300 1 273 29 29 PHE CE1 C 130.160 0.300 1 274 29 29 PHE CE2 C 130.160 0.300 1 275 29 29 PHE CZ C 127.966 0.300 1 276 29 29 PHE N N 111.027 0.300 1 277 30 30 PHE H H 8.806 0.030 1 278 30 30 PHE HA H 4.923 0.030 1 279 30 30 PHE HB2 H 3.029 0.030 2 280 30 30 PHE HB3 H 2.722 0.030 2 281 30 30 PHE HD1 H 7.249 0.030 1 282 30 30 PHE HD2 H 7.249 0.030 1 283 30 30 PHE HE1 H 7.354 0.030 1 284 30 30 PHE HE2 H 7.354 0.030 1 285 30 30 PHE HZ H 7.292 0.030 1 286 30 30 PHE C C 174.501 0.300 1 287 30 30 PHE CA C 55.356 0.300 1 288 30 30 PHE CB C 41.681 0.300 1 289 30 30 PHE CD1 C 131.357 0.300 1 290 30 30 PHE CD2 C 131.357 0.300 1 291 30 30 PHE CE1 C 131.454 0.300 1 292 30 30 PHE CE2 C 131.454 0.300 1 293 30 30 PHE CZ C 129.897 0.300 1 294 30 30 PHE N N 118.710 0.300 1 295 31 31 LEU H H 8.441 0.030 1 296 31 31 LEU HA H 5.447 0.030 1 297 31 31 LEU HB2 H 1.670 0.030 2 298 31 31 LEU HB3 H 1.611 0.030 2 299 31 31 LEU HD1 H 0.800 0.030 1 300 31 31 LEU HD2 H 0.797 0.030 1 301 31 31 LEU HG H 1.685 0.030 1 302 31 31 LEU C C 177.306 0.300 1 303 31 31 LEU CA C 53.610 0.300 1 304 31 31 LEU CB C 43.696 0.300 1 305 31 31 LEU CD1 C 26.020 0.300 2 306 31 31 LEU CD2 C 25.636 0.300 2 307 31 31 LEU CG C 27.457 0.300 1 308 31 31 LEU N N 123.765 0.300 1 309 32 32 ARG H H 9.381 0.030 1 310 32 32 ARG HA H 4.840 0.030 1 311 32 32 ARG HB2 H 1.739 0.030 2 312 32 32 ARG HB3 H 1.563 0.030 2 313 32 32 ARG HD2 H 3.239 0.030 2 314 32 32 ARG HD3 H 3.128 0.030 2 315 32 32 ARG HG2 H 1.549 0.030 2 316 32 32 ARG HG3 H 1.431 0.030 2 317 32 32 ARG C C 175.155 0.300 1 318 32 32 ARG CA C 54.210 0.300 1 319 32 32 ARG CB C 35.087 0.300 1 320 32 32 ARG CD C 43.579 0.300 1 321 32 32 ARG CG C 26.805 0.300 1 322 32 32 ARG N N 123.160 0.300 1 323 33 33 ILE H H 7.891 0.030 1 324 33 33 ILE HA H 4.495 0.030 1 325 33 33 ILE HB H 1.639 0.030 1 326 33 33 ILE HD1 H 0.775 0.030 1 327 33 33 ILE HG12 H 1.267 0.030 2 328 33 33 ILE HG13 H 0.766 0.030 2 329 33 33 ILE HG2 H 0.762 0.030 1 330 33 33 ILE C C 175.850 0.300 1 331 33 33 ILE CA C 59.641 0.300 1 332 33 33 ILE CB C 39.538 0.300 1 333 33 33 ILE CD1 C 12.910 0.300 1 334 33 33 ILE CG1 C 26.320 0.300 1 335 33 33 ILE CG2 C 17.622 0.300 1 336 33 33 ILE N N 118.924 0.300 1 337 34 34 GLU H H 8.971 0.030 1 338 34 34 GLU HA H 4.578 0.030 1 339 34 34 GLU HB2 H 1.924 0.030 2 340 34 34 GLU HB3 H 1.563 0.030 2 341 34 34 GLU HG2 H 2.253 0.030 2 342 34 34 GLU HG3 H 1.934 0.030 2 343 34 34 GLU C C 175.766 0.300 1 344 34 34 GLU CA C 54.263 0.300 1 345 34 34 GLU CB C 32.128 0.300 1 346 34 34 GLU CG C 36.812 0.300 1 347 34 34 GLU N N 125.447 0.300 1 348 35 35 LYS H H 8.504 0.030 1 349 35 35 LYS HA H 4.026 0.030 1 350 35 35 LYS HB2 H 1.763 0.030 2 351 35 35 LYS HB3 H 1.691 0.030 2 352 35 35 LYS HD2 H 1.741 0.030 1 353 35 35 LYS HD3 H 1.741 0.030 1 354 35 35 LYS HE2 H 2.990 0.030 1 355 35 35 LYS HE3 H 2.990 0.030 1 356 35 35 LYS HG2 H 1.412 0.030 2 357 35 35 LYS HG3 H 1.379 0.030 2 358 35 35 LYS C C 177.701 0.300 1 359 35 35 LYS CA C 57.591 0.300 1 360 35 35 LYS CB C 32.491 0.300 1 361 35 35 LYS CD C 29.530 0.300 1 362 35 35 LYS CE C 42.034 0.300 1 363 35 35 LYS CG C 24.512 0.300 1 364 35 35 LYS N N 122.893 0.300 1 365 36 36 ASP H H 9.020 0.030 1 366 36 36 ASP HA H 4.385 0.030 1 367 36 36 ASP HB2 H 2.898 0.030 2 368 36 36 ASP HB3 H 2.742 0.030 2 369 36 36 ASP C C 174.554 0.300 1 370 36 36 ASP CA C 55.868 0.300 1 371 36 36 ASP CB C 39.826 0.300 1 372 36 36 ASP N N 121.412 0.300 1 373 37 37 THR H H 7.464 0.030 1 374 37 37 THR HA H 4.454 0.030 1 375 37 37 THR HB H 3.920 0.030 1 376 37 37 THR HG2 H 1.128 0.030 1 377 37 37 THR C C 172.012 0.300 1 378 37 37 THR CA C 61.686 0.300 1 379 37 37 THR CB C 70.927 0.300 1 380 37 37 THR CG2 C 21.491 0.300 1 381 37 37 THR N N 113.147 0.300 1 382 38 38 ASP H H 8.931 0.030 1 383 38 38 ASP HA H 4.852 0.030 1 384 38 38 ASP HB2 H 2.864 0.030 2 385 38 38 ASP HB3 H 2.726 0.030 2 386 38 38 ASP CA C 54.826 0.300 1 387 38 38 ASP CB C 43.332 0.300 1 388 38 38 ASP N N 120.401 0.300 1 389 39 39 GLY H H 8.068 0.030 1 390 39 39 GLY HA2 H 3.774 0.030 2 391 39 39 GLY HA3 H 3.555 0.030 2 392 39 39 GLY C C 172.578 0.300 1 393 39 39 GLY CA C 43.967 0.300 1 394 39 39 GLY N N 107.925 0.300 1 395 40 40 HIS H H 9.111 0.030 1 396 40 40 HIS HA H 4.650 0.030 1 397 40 40 HIS HB2 H 3.009 0.030 2 398 40 40 HIS HB3 H 2.654 0.030 2 399 40 40 HIS HD2 H 7.067 0.030 1 400 40 40 HIS HE1 H 7.523 0.030 1 401 40 40 HIS C C 174.330 0.300 1 402 40 40 HIS CA C 55.886 0.300 1 403 40 40 HIS CB C 30.507 0.300 1 404 40 40 HIS CD2 C 119.480 0.300 1 405 40 40 HIS CE1 C 137.852 0.300 1 406 40 40 HIS N N 119.179 0.300 1 407 41 41 LEU H H 8.254 0.030 1 408 41 41 LEU HA H 4.626 0.030 1 409 41 41 LEU HB2 H 1.461 0.030 2 410 41 41 LEU HB3 H 1.179 0.030 2 411 41 41 LEU HD1 H 0.636 0.030 1 412 41 41 LEU HD2 H 0.533 0.030 1 413 41 41 LEU HG H 1.360 0.030 1 414 41 41 LEU C C 176.035 0.300 1 415 41 41 LEU CA C 55.621 0.300 1 416 41 41 LEU CB C 45.091 0.300 1 417 41 41 LEU CD1 C 25.951 0.300 2 418 41 41 LEU CD2 C 25.118 0.300 2 419 41 41 LEU CG C 27.959 0.300 1 420 41 41 LEU N N 124.808 0.300 1 421 42 42 ILE H H 8.685 0.030 1 422 42 42 ILE HA H 4.578 0.030 1 423 42 42 ILE HB H 2.000 0.030 1 424 42 42 ILE HD1 H 0.337 0.030 1 425 42 42 ILE HG12 H 1.293 0.030 2 426 42 42 ILE HG13 H 1.018 0.030 2 427 42 42 ILE HG2 H 0.647 0.030 1 428 42 42 ILE C C 175.369 0.300 1 429 42 42 ILE CA C 59.852 0.300 1 430 42 42 ILE CB C 36.778 0.300 1 431 42 42 ILE CD1 C 13.131 0.300 1 432 42 42 ILE CG1 C 27.135 0.300 1 433 42 42 ILE CG2 C 18.663 0.300 1 434 42 42 ILE N N 121.814 0.300 1 435 43 43 ARG H H 8.787 0.030 1 436 43 43 ARG HA H 4.852 0.030 1 437 43 43 ARG HB2 H 2.061 0.030 2 438 43 43 ARG HB3 H 1.616 0.030 2 439 43 43 ARG HD2 H 3.696 0.030 2 440 43 43 ARG HD3 H 3.120 0.030 2 441 43 43 ARG HE H 8.310 0.030 1 442 43 43 ARG HG2 H 1.620 0.030 2 443 43 43 ARG HG3 H 1.319 0.030 2 444 43 43 ARG C C 174.029 0.300 1 445 43 43 ARG CA C 52.730 0.300 1 446 43 43 ARG CB C 36.983 0.300 1 447 43 43 ARG CD C 44.161 0.300 1 448 43 43 ARG CG C 32.244 0.300 1 449 43 43 ARG N N 125.771 0.300 1 450 43 43 ARG NE N 86.343 0.300 1 451 44 44 VAL H H 8.661 0.030 1 452 44 44 VAL HA H 3.276 0.030 1 453 44 44 VAL HB H 2.425 0.030 1 454 44 44 VAL HG1 H 0.803 0.030 1 455 44 44 VAL HG2 H 0.907 0.030 1 456 44 44 VAL C C 173.227 0.300 1 457 44 44 VAL CA C 63.161 0.300 1 458 44 44 VAL CB C 29.054 0.300 1 459 44 44 VAL CG1 C 22.847 0.300 2 460 44 44 VAL CG2 C 21.315 0.300 2 461 44 44 VAL N N 117.026 0.300 1 462 45 45 ILE H H 8.464 0.030 1 463 45 45 ILE HA H 4.579 0.030 1 464 45 45 ILE HB H 1.770 0.030 1 465 45 45 ILE HD1 H 0.498 0.030 1 466 45 45 ILE HG12 H 1.352 0.030 2 467 45 45 ILE HG13 H 0.830 0.030 2 468 45 45 ILE HG2 H 0.676 0.030 1 469 45 45 ILE C C 178.108 0.300 1 470 45 45 ILE CA C 59.888 0.300 1 471 45 45 ILE CB C 36.998 0.300 1 472 45 45 ILE CD1 C 12.825 0.300 1 473 45 45 ILE CG1 C 28.069 0.300 1 474 45 45 ILE CG2 C 17.459 0.300 1 475 45 45 ILE N N 122.767 0.300 1 476 46 46 GLU H H 9.015 0.030 1 477 46 46 GLU HA H 4.206 0.030 1 478 46 46 GLU HB2 H 1.973 0.030 1 479 46 46 GLU HB3 H 1.973 0.030 1 480 46 46 GLU HG2 H 2.294 0.030 2 481 46 46 GLU HG3 H 2.207 0.030 2 482 46 46 GLU C C 177.746 0.300 1 483 46 46 GLU CA C 56.130 0.300 1 484 46 46 GLU CB C 30.581 0.300 1 485 46 46 GLU CG C 36.370 0.300 1 486 46 46 GLU N N 131.076 0.300 1 487 47 47 GLU H H 9.213 0.030 1 488 47 47 GLU HA H 4.194 0.030 1 489 47 47 GLU HB2 H 2.020 0.030 1 490 47 47 GLU HB3 H 2.020 0.030 1 491 47 47 GLU HG2 H 2.440 0.030 2 492 47 47 GLU HG3 H 2.295 0.030 2 493 47 47 GLU C C 178.088 0.300 1 494 47 47 GLU CA C 58.212 0.300 1 495 47 47 GLU CB C 29.390 0.300 1 496 47 47 GLU CG C 36.360 0.300 1 497 47 47 GLU N N 129.592 0.300 1 498 48 48 GLY H H 9.586 0.030 1 499 48 48 GLY HA2 H 4.141 0.030 2 500 48 48 GLY HA3 H 3.757 0.030 2 501 48 48 GLY C C 173.790 0.300 1 502 48 48 GLY CA C 45.764 0.300 1 503 48 48 GLY N N 114.819 0.300 1 504 49 49 SER H H 7.580 0.030 1 505 49 49 SER HA H 4.728 0.030 1 506 49 49 SER HB2 H 3.892 0.030 1 507 49 49 SER HB3 H 3.892 0.030 1 508 49 49 SER C C 173.542 0.300 1 509 49 49 SER CA C 57.560 0.300 1 510 49 49 SER CB C 64.529 0.300 1 511 49 49 SER N N 114.688 0.300 1 512 50 50 PRO HA H 4.431 0.030 1 513 50 50 PRO HB2 H 3.035 0.030 2 514 50 50 PRO HB3 H 2.321 0.030 2 515 50 50 PRO HD2 H 4.044 0.030 2 516 50 50 PRO HD3 H 3.947 0.030 2 517 50 50 PRO HG2 H 2.311 0.030 2 518 50 50 PRO HG3 H 2.219 0.030 2 519 50 50 PRO C C 179.377 0.300 1 520 50 50 PRO CA C 66.059 0.300 1 521 50 50 PRO CB C 32.598 0.300 1 522 50 50 PRO CD C 50.745 0.300 1 523 50 50 PRO CG C 28.769 0.300 1 524 51 51 ALA H H 8.264 0.030 1 525 51 51 ALA HA H 3.817 0.030 1 526 51 51 ALA HB H 1.447 0.030 1 527 51 51 ALA C C 177.508 0.300 1 528 51 51 ALA CA C 55.392 0.300 1 529 51 51 ALA CB C 20.474 0.300 1 530 51 51 ALA N N 117.604 0.300 1 531 52 52 GLU H H 7.794 0.030 1 532 52 52 GLU HA H 3.881 0.030 1 533 52 52 GLU HB2 H 2.309 0.030 2 534 52 52 GLU HB3 H 2.114 0.030 2 535 52 52 GLU HG2 H 2.278 0.030 2 536 52 52 GLU HG3 H 2.140 0.030 2 537 52 52 GLU C C 181.401 0.300 1 538 52 52 GLU CA C 59.454 0.300 1 539 52 52 GLU CB C 30.247 0.300 1 540 52 52 GLU CG C 37.257 0.300 1 541 52 52 GLU N N 119.474 0.300 1 542 53 53 LYS H H 8.557 0.030 1 543 53 53 LYS HA H 4.020 0.030 1 544 53 53 LYS HB2 H 1.933 0.030 1 545 53 53 LYS HB3 H 1.933 0.030 1 546 53 53 LYS HD2 H 2.963 0.030 2 547 53 53 LYS HE2 H 2.951 0.030 2 548 53 53 LYS HG2 H 1.570 0.030 2 549 53 53 LYS HG3 H 1.498 0.030 2 550 53 53 LYS C C 177.939 0.300 1 551 53 53 LYS CA C 59.012 0.300 1 552 53 53 LYS CB C 32.438 0.300 1 553 53 53 LYS CD C 29.195 0.300 1 554 53 53 LYS CE C 41.969 0.300 1 555 53 53 LYS CG C 25.549 0.300 1 556 53 53 LYS N N 120.057 0.300 1 557 54 54 ALA H H 7.764 0.030 1 558 54 54 ALA HA H 4.400 0.030 1 559 54 54 ALA HB H 1.400 0.030 1 560 54 54 ALA C C 177.658 0.300 1 561 54 54 ALA CA C 52.412 0.300 1 562 54 54 ALA CB C 20.739 0.300 1 563 54 54 ALA N N 117.678 0.300 1 564 55 55 GLY H H 7.583 0.030 1 565 55 55 GLY HA2 H 4.266 0.030 2 566 55 55 GLY HA3 H 3.775 0.030 2 567 55 55 GLY C C 175.232 0.300 1 568 55 55 GLY CA C 45.368 0.300 1 569 55 55 GLY N N 103.265 0.300 1 570 56 56 LEU H H 7.280 0.030 1 571 56 56 LEU HA H 3.984 0.030 1 572 56 56 LEU HB2 H 1.404 0.030 2 573 56 56 LEU HB3 H 1.014 0.030 2 574 56 56 LEU HD1 H 0.634 0.030 1 575 56 56 LEU HD2 H 0.239 0.030 1 576 56 56 LEU HG H 1.439 0.030 1 577 56 56 LEU C C 174.708 0.300 1 578 56 56 LEU CA C 55.603 0.300 1 579 56 56 LEU CB C 42.752 0.300 1 580 56 56 LEU CD1 C 24.416 0.300 2 581 56 56 LEU CD2 C 25.905 0.300 2 582 56 56 LEU CG C 26.874 0.300 1 583 56 56 LEU N N 119.211 0.300 1 584 57 57 LEU H H 8.693 0.030 1 585 57 57 LEU HA H 4.499 0.030 1 586 57 57 LEU HB2 H 1.858 0.030 2 587 57 57 LEU HB3 H 1.208 0.030 2 588 57 57 LEU HD1 H 0.860 0.030 1 589 57 57 LEU HD2 H 0.825 0.030 1 590 57 57 LEU HG H 1.535 0.030 1 591 57 57 LEU C C 176.124 0.300 1 592 57 57 LEU CA C 52.959 0.300 1 593 57 57 LEU CB C 45.122 0.300 1 594 57 57 LEU CD1 C 25.404 0.300 2 595 57 57 LEU CD2 C 23.014 0.300 2 596 57 57 LEU CG C 26.284 0.300 1 597 57 57 LEU N N 121.969 0.300 1 598 58 58 ASP H H 8.334 0.030 1 599 58 58 ASP HA H 4.139 0.030 1 600 58 58 ASP HB2 H 2.617 0.030 2 601 58 58 ASP HB3 H 2.571 0.030 2 602 58 58 ASP C C 178.636 0.300 1 603 58 58 ASP CA C 56.079 0.300 1 604 58 58 ASP CB C 42.135 0.300 1 605 58 58 ASP N N 120.401 0.300 1 606 59 59 GLY H H 9.378 0.030 1 607 59 59 GLY HA2 H 4.317 0.030 2 608 59 59 GLY HA3 H 3.260 0.030 2 609 59 59 GLY C C 173.359 0.300 1 610 59 59 GLY CA C 45.517 0.300 1 611 59 59 GLY N N 116.622 0.300 1 612 60 60 ASP H H 8.009 0.030 1 613 60 60 ASP HA H 4.638 0.030 1 614 60 60 ASP HB2 H 2.630 0.030 2 615 60 60 ASP HB3 H 2.070 0.030 2 616 60 60 ASP C C 175.555 0.300 1 617 60 60 ASP CA C 55.286 0.300 1 618 60 60 ASP CB C 42.381 0.300 1 619 60 60 ASP N N 121.370 0.300 1 620 61 61 ARG H H 8.648 0.030 1 621 61 61 ARG HA H 5.179 0.030 1 622 61 61 ARG HB2 H 1.542 0.030 2 623 61 61 ARG HB3 H 1.104 0.030 2 624 61 61 ARG HD2 H 2.879 0.030 2 625 61 61 ARG HD3 H 2.391 0.030 2 626 61 61 ARG HE H 6.252 0.030 1 627 61 61 ARG HG2 H 0.836 0.030 2 628 61 61 ARG HG3 H -0.005 0.030 2 629 61 61 ARG C C 177.381 0.300 1 630 61 61 ARG CA C 53.704 0.300 1 631 61 61 ARG CB C 34.017 0.300 1 632 61 61 ARG CD C 43.637 0.300 1 633 61 61 ARG CG C 29.277 0.300 1 634 61 61 ARG N N 116.958 0.300 1 635 61 61 ARG NE N 86.215 0.300 1 636 62 62 VAL H H 8.247 0.030 1 637 62 62 VAL HA H 3.806 0.030 1 638 62 62 VAL HB H 1.800 0.030 1 639 62 62 VAL HG1 H 0.734 0.030 1 640 62 62 VAL HG2 H 0.585 0.030 1 641 62 62 VAL C C 174.748 0.300 1 642 62 62 VAL CA C 63.149 0.300 1 643 62 62 VAL CB C 32.574 0.300 1 644 62 62 VAL CG1 C 22.862 0.300 2 645 62 62 VAL CG2 C 22.759 0.300 2 646 62 62 VAL N N 118.546 0.300 1 647 63 63 LEU H H 9.262 0.030 1 648 63 63 LEU HA H 4.412 0.030 1 649 63 63 LEU HB2 H 1.788 0.030 2 650 63 63 LEU HB3 H 1.640 0.030 2 651 63 63 LEU HD1 H 0.991 0.030 1 652 63 63 LEU HD2 H 1.021 0.030 1 653 63 63 LEU HG H 1.792 0.030 1 654 63 63 LEU C C 177.649 0.300 1 655 63 63 LEU CA C 56.044 0.300 1 656 63 63 LEU CB C 43.339 0.300 1 657 63 63 LEU CD1 C 26.357 0.300 2 658 63 63 LEU CD2 C 23.709 0.300 2 659 63 63 LEU CG C 27.650 0.300 1 660 63 63 LEU N N 125.413 0.300 1 661 64 64 ARG H H 7.806 0.030 1 662 64 64 ARG HA H 5.704 0.030 1 663 64 64 ARG HB2 H 1.840 0.030 2 664 64 64 ARG HB3 H 1.156 0.030 2 665 64 64 ARG HD2 H 3.100 0.030 2 666 64 64 ARG HD3 H 2.939 0.030 2 667 64 64 ARG HE H 7.963 0.030 1 668 64 64 ARG HG2 H 1.655 0.030 2 669 64 64 ARG HG3 H 1.544 0.030 2 670 64 64 ARG C C 175.091 0.300 1 671 64 64 ARG CA C 54.148 0.300 1 672 64 64 ARG CB C 35.742 0.300 1 673 64 64 ARG CD C 43.659 0.300 1 674 64 64 ARG CG C 29.525 0.300 1 675 64 64 ARG N N 112.961 0.300 1 676 64 64 ARG NE N 85.787 0.300 1 677 65 65 ILE H H 8.327 0.030 1 678 65 65 ILE HA H 4.384 0.030 1 679 65 65 ILE HB H 1.424 0.030 1 680 65 65 ILE HD1 H 0.575 0.030 1 681 65 65 ILE HG12 H 1.291 0.030 2 682 65 65 ILE HG13 H 0.634 0.030 2 683 65 65 ILE HG2 H 0.726 0.030 1 684 65 65 ILE C C 175.722 0.300 1 685 65 65 ILE CA C 60.501 0.300 1 686 65 65 ILE CB C 39.547 0.300 1 687 65 65 ILE CD1 C 16.747 0.300 1 688 65 65 ILE CG1 C 27.119 0.300 1 689 65 65 ILE CG2 C 15.962 0.300 1 690 65 65 ILE N N 119.175 0.300 1 691 66 66 ASN H H 9.911 0.030 1 692 66 66 ASN HA H 4.428 0.030 1 693 66 66 ASN HB2 H 3.043 0.030 1 694 66 66 ASN HB3 H 3.043 0.030 1 695 66 66 ASN HD21 H 7.805 0.030 2 696 66 66 ASN HD22 H 7.580 0.030 2 697 66 66 ASN C C 175.349 0.300 1 698 66 66 ASN CA C 54.157 0.300 1 699 66 66 ASN CB C 37.024 0.300 1 700 66 66 ASN N N 128.952 0.300 1 701 66 66 ASN ND2 N 114.699 0.300 1 702 67 67 GLY H H 9.230 0.030 1 703 67 67 GLY HA2 H 4.322 0.030 2 704 67 67 GLY HA3 H 3.508 0.030 2 705 67 67 GLY C C 174.393 0.300 1 706 67 67 GLY CA C 45.341 0.300 1 707 67 67 GLY N N 103.238 0.300 1 708 68 68 VAL H H 8.063 0.030 1 709 68 68 VAL HA H 4.015 0.030 1 710 68 68 VAL HB H 2.150 0.030 1 711 68 68 VAL HG1 H 0.992 0.030 1 712 68 68 VAL HG2 H 0.866 0.030 1 713 68 68 VAL C C 175.833 0.300 1 714 68 68 VAL CA C 62.603 0.300 1 715 68 68 VAL CB C 32.574 0.300 1 716 68 68 VAL CG1 C 21.530 0.300 2 717 68 68 VAL CG2 C 20.706 0.300 2 718 68 68 VAL N N 125.696 0.300 1 719 69 69 PHE H H 9.301 0.030 1 720 69 69 PHE HA H 4.947 0.030 1 721 69 69 PHE HB2 H 3.180 0.030 2 722 69 69 PHE HB3 H 3.026 0.030 2 723 69 69 PHE HD1 H 7.297 0.030 1 724 69 69 PHE HD2 H 7.297 0.030 1 725 69 69 PHE HE1 H 7.252 0.030 1 726 69 69 PHE HE2 H 7.252 0.030 1 727 69 69 PHE HZ H 7.452 0.030 1 728 69 69 PHE C C 177.120 0.300 1 729 69 69 PHE CA C 59.200 0.300 1 730 69 69 PHE CB C 39.320 0.300 1 731 69 69 PHE CD1 C 132.911 0.300 1 732 69 69 PHE CD2 C 132.911 0.300 1 733 69 69 PHE CE1 C 131.043 0.300 1 734 69 69 PHE CE2 C 131.043 0.300 1 735 69 69 PHE CZ C 131.425 0.300 1 736 69 69 PHE N N 128.641 0.300 1 737 70 70 VAL H H 8.312 0.030 1 738 70 70 VAL HA H 4.517 0.030 1 739 70 70 VAL HB H 2.266 0.030 1 740 70 70 VAL HG1 H 0.717 0.030 1 741 70 70 VAL HG2 H 0.304 0.030 1 742 70 70 VAL CA C 60.734 0.300 1 743 70 70 VAL CB C 32.976 0.300 1 744 70 70 VAL CG1 C 20.630 0.300 2 745 70 70 VAL CG2 C 17.967 0.300 2 746 70 70 VAL N N 118.381 0.300 1 747 71 71 ASP H H 5.373 0.030 1 748 71 71 ASP HA H 4.413 0.030 1 749 71 71 ASP HB2 H 2.286 0.030 2 750 71 71 ASP HB3 H 2.188 0.030 2 751 71 71 ASP C C 174.896 0.300 1 752 71 71 ASP CA C 58.334 0.300 1 753 71 71 ASP CB C 46.097 0.300 1 754 71 71 ASP N N 119.008 0.300 1 755 72 72 LYS H H 7.874 0.030 1 756 72 72 LYS HA H 4.522 0.030 1 757 72 72 LYS HB2 H 2.125 0.030 2 758 72 72 LYS HB3 H 1.754 0.030 2 759 72 72 LYS HD2 H 1.735 0.030 2 760 72 72 LYS HD3 H 1.687 0.030 2 761 72 72 LYS HE2 H 3.106 0.030 2 762 72 72 LYS HE3 H 3.065 0.030 2 763 72 72 LYS HG2 H 1.630 0.030 2 764 72 72 LYS HG3 H 1.475 0.030 2 765 72 72 LYS C C 177.209 0.300 1 766 72 72 LYS CA C 54.122 0.300 1 767 72 72 LYS CB C 31.640 0.300 1 768 72 72 LYS CD C 28.288 0.300 1 769 72 72 LYS CE C 42.249 0.300 1 770 72 72 LYS CG C 24.580 0.300 1 771 72 72 LYS N N 110.259 0.300 1 772 73 73 GLU H H 7.421 0.030 1 773 73 73 GLU HA H 4.401 0.030 1 774 73 73 GLU HB2 H 2.039 0.030 2 775 73 73 GLU HB3 H 1.781 0.030 2 776 73 73 GLU HG2 H 2.330 0.030 2 777 73 73 GLU HG3 H 2.222 0.030 2 778 73 73 GLU C C 176.728 0.300 1 779 73 73 GLU CA C 54.950 0.300 1 780 73 73 GLU CB C 30.390 0.300 1 781 73 73 GLU CG C 36.047 0.300 1 782 73 73 GLU N N 120.043 0.300 1 783 74 74 GLU H H 9.360 0.030 1 784 74 74 GLU HA H 4.403 0.030 1 785 74 74 GLU HB2 H 2.333 0.030 2 786 74 74 GLU HB3 H 2.087 0.030 2 787 74 74 GLU HG2 H 2.502 0.030 2 788 74 74 GLU HG3 H 2.479 0.030 2 789 74 74 GLU C C 178.234 0.300 1 790 74 74 GLU CA C 56.516 0.300 1 791 74 74 GLU CB C 30.390 0.300 1 792 74 74 GLU CG C 36.633 0.300 1 793 74 74 GLU N N 122.193 0.300 1 794 75 75 HIS H H 9.553 0.030 1 795 75 75 HIS HA H 4.080 0.030 1 796 75 75 HIS HB2 H 3.381 0.030 2 797 75 75 HIS HB3 H 3.301 0.030 2 798 75 75 HIS HD2 H 7.028 0.030 1 799 75 75 HIS HE1 H 7.688 0.030 1 800 75 75 HIS C C 175.985 0.300 1 801 75 75 HIS CA C 61.016 0.300 1 802 75 75 HIS CB C 29.468 0.300 1 803 75 75 HIS CD2 C 124.901 0.300 1 804 75 75 HIS CE1 C 137.924 0.300 1 805 75 75 HIS N N 123.587 0.300 1 806 76 76 ALA H H 9.129 0.030 1 807 76 76 ALA HA H 3.826 0.030 1 808 76 76 ALA HB H 1.458 0.030 1 809 76 76 ALA C C 180.475 0.300 1 810 76 76 ALA CA C 55.392 0.300 1 811 76 76 ALA CB C 18.182 0.300 1 812 76 76 ALA N N 117.795 0.300 1 813 77 77 GLN H H 7.099 0.030 1 814 77 77 GLN HA H 4.198 0.030 1 815 77 77 GLN HB2 H 2.236 0.030 2 816 77 77 GLN HB3 H 2.089 0.030 2 817 77 77 GLN HE21 H 7.431 0.030 2 818 77 77 GLN HE22 H 6.814 0.030 2 819 77 77 GLN HG2 H 2.491 0.030 2 820 77 77 GLN HG3 H 2.301 0.030 2 821 77 77 GLN C C 177.860 0.300 1 822 77 77 GLN CA C 57.790 0.300 1 823 77 77 GLN CB C 28.536 0.300 1 824 77 77 GLN CG C 33.725 0.300 1 825 77 77 GLN N N 115.764 0.300 1 826 77 77 GLN NE2 N 111.433 0.300 1 827 78 78 VAL H H 7.430 0.030 1 828 78 78 VAL HA H 3.241 0.030 1 829 78 78 VAL HB H 1.705 0.030 1 830 78 78 VAL HG1 H 0.427 0.030 1 831 78 78 VAL HG2 H 0.124 0.030 1 832 78 78 VAL C C 177.042 0.300 1 833 78 78 VAL CA C 67.299 0.300 1 834 78 78 VAL CB C 30.819 0.300 1 835 78 78 VAL CG1 C 21.726 0.300 2 836 78 78 VAL CG2 C 22.467 0.300 2 837 78 78 VAL N N 121.143 0.300 1 838 79 79 VAL H H 7.773 0.030 1 839 79 79 VAL HA H 3.315 0.030 1 840 79 79 VAL HB H 1.831 0.030 1 841 79 79 VAL HG1 H 0.587 0.030 1 842 79 79 VAL HG2 H 0.848 0.030 1 843 79 79 VAL C C 179.179 0.300 1 844 79 79 VAL CA C 66.694 0.300 1 845 79 79 VAL CB C 31.841 0.300 1 846 79 79 VAL CG1 C 22.364 0.300 2 847 79 79 VAL CG2 C 21.233 0.300 2 848 79 79 VAL N N 117.473 0.300 1 849 80 80 GLU H H 7.410 0.030 1 850 80 80 GLU HA H 4.258 0.030 1 851 80 80 GLU HB2 H 2.094 0.030 2 852 80 80 GLU HB3 H 1.986 0.030 2 853 80 80 GLU HG2 H 2.364 0.030 2 854 80 80 GLU HG3 H 2.201 0.030 2 855 80 80 GLU C C 178.018 0.300 1 856 80 80 GLU CA C 58.566 0.300 1 857 80 80 GLU CB C 29.072 0.300 1 858 80 80 GLU CG C 35.403 0.300 1 859 80 80 GLU N N 120.451 0.300 1 860 81 81 LEU H H 8.070 0.030 1 861 81 81 LEU HA H 3.976 0.030 1 862 81 81 LEU HB2 H 2.015 0.030 2 863 81 81 LEU HB3 H 1.233 0.030 2 864 81 81 LEU HD1 H 0.782 0.030 1 865 81 81 LEU HD2 H 0.828 0.030 1 866 81 81 LEU HG H 1.846 0.030 1 867 81 81 LEU C C 180.658 0.300 1 868 81 81 LEU CA C 58.061 0.300 1 869 81 81 LEU CB C 42.115 0.300 1 870 81 81 LEU CD1 C 25.784 0.300 2 871 81 81 LEU CD2 C 22.515 0.300 2 872 81 81 LEU CG C 26.800 0.300 1 873 81 81 LEU N N 119.943 0.300 1 874 82 82 VAL H H 7.609 0.030 1 875 82 82 VAL HA H 3.474 0.030 1 876 82 82 VAL HB H 2.242 0.030 1 877 82 82 VAL HG1 H 0.982 0.030 1 878 82 82 VAL HG2 H 0.960 0.030 1 879 82 82 VAL C C 178.927 0.300 1 880 82 82 VAL CA C 67.398 0.300 1 881 82 82 VAL CB C 31.306 0.300 1 882 82 82 VAL CG1 C 23.130 0.300 2 883 82 82 VAL CG2 C 21.718 0.300 2 884 82 82 VAL N N 118.150 0.300 1 885 83 83 ARG H H 8.186 0.030 1 886 83 83 ARG HA H 3.994 0.030 1 887 83 83 ARG HB2 H 2.007 0.030 2 888 83 83 ARG HB3 H 1.928 0.030 2 889 83 83 ARG HD2 H 3.297 0.030 2 890 83 83 ARG HD3 H 3.098 0.030 2 891 83 83 ARG HG2 H 1.736 0.030 2 892 83 83 ARG HG3 H 1.560 0.030 2 893 83 83 ARG C C 179.999 0.300 1 894 83 83 ARG CA C 60.205 0.300 1 895 83 83 ARG CB C 30.103 0.300 1 896 83 83 ARG CD C 43.006 0.300 1 897 83 83 ARG CG C 27.135 0.300 1 898 83 83 ARG N N 122.902 0.300 1 899 84 84 LYS H H 8.772 0.030 1 900 84 84 LYS HA H 4.047 0.030 1 901 84 84 LYS HB2 H 1.897 0.030 1 902 84 84 LYS HB3 H 1.897 0.030 1 903 84 84 LYS HD2 H 1.658 0.030 1 904 84 84 LYS HD3 H 1.658 0.030 1 905 84 84 LYS HE2 H 2.980 0.030 1 906 84 84 LYS HE3 H 2.980 0.030 1 907 84 84 LYS HG2 H 1.627 0.030 2 908 84 84 LYS HG3 H 1.505 0.030 2 909 84 84 LYS C C 176.934 0.300 1 910 84 84 LYS CA C 58.142 0.300 1 911 84 84 LYS CB C 32.492 0.300 1 912 84 84 LYS CD C 29.206 0.300 1 913 84 84 LYS CE C 42.134 0.300 1 914 84 84 LYS CG C 25.613 0.300 1 915 84 84 LYS N N 117.548 0.300 1 916 85 85 SER H H 7.333 0.030 1 917 85 85 SER HA H 4.235 0.030 1 918 85 85 SER HB2 H 4.141 0.030 2 919 85 85 SER HB3 H 4.013 0.030 2 920 85 85 SER C C 175.588 0.300 1 921 85 85 SER CA C 59.535 0.300 1 922 85 85 SER CB C 63.571 0.300 1 923 85 85 SER N N 113.544 0.300 1 924 86 86 GLY H H 7.459 0.030 1 925 86 86 GLY HA2 H 4.176 0.030 2 926 86 86 GLY HA3 H 3.762 0.030 2 927 86 86 GLY C C 176.407 0.300 1 928 86 86 GLY CA C 46.109 0.300 1 929 86 86 GLY N N 104.331 0.300 1 930 87 87 ASN HA H 4.650 0.030 1 931 87 87 ASN HB2 H 3.664 0.030 2 932 87 87 ASN HB3 H 2.654 0.030 2 933 87 87 ASN HD21 H 7.577 0.030 2 934 87 87 ASN HD22 H 7.236 0.030 2 935 87 87 ASN C C 173.653 0.300 1 936 87 87 ASN CA C 54.492 0.300 1 937 87 87 ASN CB C 38.425 0.300 1 938 87 87 ASN N N 118.401 0.300 1 939 87 87 ASN ND2 N 113.475 0.300 1 940 88 88 SER H H 7.435 0.030 1 941 88 88 SER HA H 5.438 0.030 1 942 88 88 SER HB2 H 3.889 0.030 1 943 88 88 SER HB3 H 3.889 0.030 1 944 88 88 SER C C 172.867 0.300 1 945 88 88 SER CA C 58.160 0.300 1 946 88 88 SER CB C 65.861 0.300 1 947 88 88 SER N N 113.765 0.300 1 948 89 89 VAL H H 8.452 0.030 1 949 89 89 VAL HA H 4.519 0.030 1 950 89 89 VAL HB H 2.172 0.030 1 951 89 89 VAL HG1 H 0.900 0.030 1 952 89 89 VAL HG2 H 0.398 0.030 1 953 89 89 VAL C C 171.391 0.300 1 954 89 89 VAL CA C 61.333 0.300 1 955 89 89 VAL CB C 33.897 0.300 1 956 89 89 VAL CG1 C 22.640 0.300 2 957 89 89 VAL CG2 C 19.679 0.300 2 958 89 89 VAL N N 120.001 0.300 1 959 90 90 THR H H 8.348 0.030 1 960 90 90 THR HA H 5.042 0.030 1 961 90 90 THR HB H 4.088 0.030 1 962 90 90 THR HG2 H 0.991 0.030 1 963 90 90 THR C C 173.926 0.300 1 964 90 90 THR CA C 61.403 0.300 1 965 90 90 THR CB C 69.553 0.300 1 966 90 90 THR CG2 C 22.441 0.300 1 967 90 90 THR N N 123.477 0.300 1 968 91 91 LEU H H 9.195 0.030 1 969 91 91 LEU HA H 5.161 0.030 1 970 91 91 LEU HB2 H 1.501 0.030 2 971 91 91 LEU HB3 H 1.096 0.030 2 972 91 91 LEU HD1 H 0.405 0.030 1 973 91 91 LEU HD2 H 0.659 0.030 1 974 91 91 LEU HG H 1.442 0.030 1 975 91 91 LEU C C 174.564 0.300 1 976 91 91 LEU CA C 52.590 0.300 1 977 91 91 LEU CB C 44.998 0.300 1 978 91 91 LEU CD1 C 26.454 0.300 2 979 91 91 LEU CD2 C 25.071 0.300 2 980 91 91 LEU CG C 26.785 0.300 1 981 91 91 LEU N N 128.419 0.300 1 982 92 92 LEU H H 8.644 0.030 1 983 92 92 LEU HA H 5.335 0.030 1 984 92 92 LEU HB2 H 1.831 0.030 2 985 92 92 LEU HB3 H 1.525 0.030 2 986 92 92 LEU HD1 H 0.963 0.030 1 987 92 92 LEU HD2 H 0.843 0.030 1 988 92 92 LEU HG H 1.324 0.030 1 989 92 92 LEU C C 176.451 0.300 1 990 92 92 LEU CA C 54.220 0.300 1 991 92 92 LEU CB C 44.323 0.300 1 992 92 92 LEU CD1 C 26.471 0.300 2 993 92 92 LEU CD2 C 23.289 0.300 2 994 92 92 LEU CG C 27.814 0.300 1 995 92 92 LEU N N 125.894 0.300 1 996 93 93 VAL H H 9.249 0.030 1 997 93 93 VAL HA H 5.573 0.030 1 998 93 93 VAL HB H 1.880 0.030 1 999 93 93 VAL HG1 H 0.613 0.030 1 1000 93 93 VAL HG2 H 0.812 0.030 1 1001 93 93 VAL C C 173.550 0.300 1 1002 93 93 VAL CA C 58.340 0.300 1 1003 93 93 VAL CB C 36.159 0.300 1 1004 93 93 VAL CG1 C 21.789 0.300 2 1005 93 93 VAL CG2 C 18.069 0.300 2 1006 93 93 VAL N N 120.660 0.300 1 1007 94 94 LEU H H 8.634 0.030 1 1008 94 94 LEU HA H 4.911 0.030 1 1009 94 94 LEU HB2 H 1.821 0.030 2 1010 94 94 LEU HB3 H 1.274 0.030 2 1011 94 94 LEU HD1 H 0.951 0.030 1 1012 94 94 LEU HD2 H 0.705 0.030 1 1013 94 94 LEU HG H 2.012 0.030 1 1014 94 94 LEU C C 174.172 0.300 1 1015 94 94 LEU CA C 52.659 0.300 1 1016 94 94 LEU CB C 47.910 0.300 1 1017 94 94 LEU CD1 C 23.673 0.300 2 1018 94 94 LEU CD2 C 26.201 0.300 2 1019 94 94 LEU CG C 26.770 0.300 1 1020 94 94 LEU N N 120.304 0.300 1 1021 95 95 ASP H H 8.210 0.030 1 1022 95 95 ASP HA H 5.190 0.030 1 1023 95 95 ASP HB2 H 2.918 0.030 2 1024 95 95 ASP HB3 H 2.563 0.030 2 1025 95 95 ASP C C 175.887 0.300 1 1026 95 95 ASP CA C 53.899 0.300 1 1027 95 95 ASP CB C 41.188 0.300 1 1028 95 95 ASP N N 122.184 0.300 1 1029 96 96 GLY H H 8.478 0.030 1 1030 96 96 GLY HA2 H 4.002 0.030 2 1031 96 96 GLY HA3 H 3.757 0.030 2 1032 96 96 GLY C C 175.497 0.300 1 1033 96 96 GLY CA C 49.944 0.300 1 1034 96 96 GLY N N 108.610 0.300 1 1035 97 97 ASP H H 8.401 0.030 1 1036 97 97 ASP HA H 4.454 0.030 1 1037 97 97 ASP HB2 H 2.745 0.030 2 1038 97 97 ASP HB3 H 2.673 0.030 2 1039 97 97 ASP C C 179.612 0.300 1 1040 97 97 ASP CA C 57.913 0.300 1 1041 97 97 ASP CB C 41.145 0.300 1 1042 97 97 ASP N N 120.034 0.300 1 1043 98 98 SER H H 8.152 0.030 1 1044 98 98 SER HA H 4.218 0.030 1 1045 98 98 SER HB2 H 3.973 0.030 2 1046 98 98 SER HB3 H 3.726 0.030 2 1047 98 98 SER C C 175.061 0.300 1 1048 98 98 SER CA C 62.180 0.300 1 1049 98 98 SER CB C 62.179 0.300 1 1050 98 98 SER N N 117.174 0.300 1 1051 99 99 TYR H H 9.051 0.030 1 1052 99 99 TYR HA H 3.692 0.030 1 1053 99 99 TYR HB2 H 3.146 0.030 2 1054 99 99 TYR HB3 H 2.631 0.030 2 1055 99 99 TYR HD1 H 6.655 0.030 1 1056 99 99 TYR HD2 H 6.655 0.030 1 1057 99 99 TYR HE1 H 6.524 0.030 1 1058 99 99 TYR HE2 H 6.524 0.030 1 1059 99 99 TYR C C 176.460 0.300 1 1060 99 99 TYR CA C 62.814 0.300 1 1061 99 99 TYR CB C 38.829 0.300 1 1062 99 99 TYR CD1 C 131.949 0.300 1 1063 99 99 TYR CD2 C 131.949 0.300 1 1064 99 99 TYR CE1 C 118.932 0.300 1 1065 99 99 TYR CE2 C 118.932 0.300 1 1066 99 99 TYR N N 123.539 0.300 1 1067 100 100 GLU H H 8.520 0.030 1 1068 100 100 GLU HA H 3.952 0.030 1 1069 100 100 GLU HB2 H 2.252 0.030 2 1070 100 100 GLU HB3 H 2.091 0.030 2 1071 100 100 GLU HG2 H 2.832 0.030 2 1072 100 100 GLU HG3 H 2.372 0.030 2 1073 100 100 GLU C C 180.151 0.300 1 1074 100 100 GLU CA C 60.099 0.300 1 1075 100 100 GLU CB C 29.435 0.300 1 1076 100 100 GLU CG C 37.335 0.300 1 1077 100 100 GLU N N 117.082 0.300 1 1078 101 101 LYS H H 7.740 0.030 1 1079 101 101 LYS HA H 3.984 0.030 1 1080 101 101 LYS HB2 H 2.026 0.030 1 1081 101 101 LYS HB3 H 2.026 0.030 1 1082 101 101 LYS HD2 H 1.688 0.030 1 1083 101 101 LYS HD3 H 1.688 0.030 1 1084 101 101 LYS HE2 H 2.951 0.030 1 1085 101 101 LYS HE3 H 2.951 0.030 1 1086 101 101 LYS HG2 H 1.652 0.030 2 1087 101 101 LYS HG3 H 1.458 0.030 2 1088 101 101 LYS C C 178.377 0.300 1 1089 101 101 LYS CA C 59.888 0.300 1 1090 101 101 LYS CB C 32.821 0.300 1 1091 101 101 LYS CD C 29.442 0.300 1 1092 101 101 LYS CE C 42.134 0.300 1 1093 101 101 LYS CG C 25.871 0.300 1 1094 101 101 LYS N N 119.851 0.300 1 1095 102 102 ALA H H 8.538 0.030 1 1096 102 102 ALA HA H 3.632 0.030 1 1097 102 102 ALA HB H 0.852 0.030 1 1098 102 102 ALA C C 179.870 0.300 1 1099 102 102 ALA CA C 55.285 0.300 1 1100 102 102 ALA CB C 17.163 0.300 1 1101 102 102 ALA N N 124.176 0.300 1 1102 103 103 VAL H H 8.147 0.030 1 1103 103 103 VAL HA H 3.658 0.030 1 1104 103 103 VAL HB H 1.940 0.030 1 1105 103 103 VAL HG1 H 0.636 0.030 1 1106 103 103 VAL HG2 H 0.831 0.030 1 1107 103 103 VAL C C 181.113 0.300 1 1108 103 103 VAL CA C 66.090 0.300 1 1109 103 103 VAL CB C 31.822 0.300 1 1110 103 103 VAL CG1 C 22.602 0.300 2 1111 103 103 VAL CG2 C 21.165 0.300 2 1112 103 103 VAL N N 117.841 0.300 1 1113 104 104 LYS H H 7.903 0.030 1 1114 104 104 LYS HA H 4.065 0.030 1 1115 104 104 LYS HB2 H 1.932 0.030 1 1116 104 104 LYS HB3 H 1.932 0.030 1 1117 104 104 LYS HD2 H 1.668 0.030 2 1118 104 104 LYS HE2 H 2.975 0.030 2 1119 104 104 LYS HG2 H 1.554 0.030 2 1120 104 104 LYS HG3 H 1.488 0.030 2 1121 104 104 LYS C C 177.715 0.300 1 1122 104 104 LYS CA C 59.094 0.300 1 1123 104 104 LYS CB C 32.285 0.300 1 1124 104 104 LYS CD C 29.277 0.300 1 1125 104 104 LYS CE C 42.052 0.300 1 1126 104 104 LYS CG C 25.147 0.300 1 1127 104 104 LYS N N 121.515 0.300 1 1128 105 105 ASN H H 7.747 0.030 1 1129 105 105 ASN HA H 4.721 0.030 1 1130 105 105 ASN HB2 H 2.975 0.030 2 1131 105 105 ASN HB3 H 2.630 0.030 2 1132 105 105 ASN HD21 H 7.722 0.030 2 1133 105 105 ASN HD22 H 7.150 0.030 2 1134 105 105 ASN C C 173.320 0.300 1 1135 105 105 ASN CA C 53.399 0.300 1 1136 105 105 ASN CB C 39.249 0.300 1 1137 105 105 ASN N N 114.941 0.300 1 1138 105 105 ASN ND2 N 113.179 0.300 1 1139 106 106 GLN H H 7.850 0.030 1 1140 106 106 GLN HA H 3.902 0.030 1 1141 106 106 GLN HB2 H 2.244 0.030 2 1142 106 106 GLN HB3 H 2.184 0.030 2 1143 106 106 GLN HE21 H 7.529 0.030 2 1144 106 106 GLN HE22 H 6.771 0.030 2 1145 106 106 GLN HG2 H 2.250 0.030 1 1146 106 106 GLN HG3 H 2.250 0.030 1 1147 106 106 GLN C C 175.168 0.300 1 1148 106 106 GLN CA C 56.978 0.300 1 1149 106 106 GLN CB C 25.770 0.300 1 1150 106 106 GLN CG C 34.469 0.300 1 1151 106 106 GLN N N 114.989 0.300 1 1152 106 106 GLN NE2 N 112.562 0.300 1 1153 107 107 VAL H H 8.005 0.030 1 1154 107 107 VAL HA H 3.664 0.030 1 1155 107 107 VAL HB H 1.573 0.030 1 1156 107 107 VAL HG1 H 0.887 0.030 1 1157 107 107 VAL HG2 H 0.617 0.030 1 1158 107 107 VAL C C 175.468 0.300 1 1159 107 107 VAL CA C 62.726 0.300 1 1160 107 107 VAL CB C 32.535 0.300 1 1161 107 107 VAL CG1 C 22.725 0.300 2 1162 107 107 VAL CG2 C 20.624 0.300 2 1163 107 107 VAL N N 120.216 0.300 1 1164 108 108 ASP H H 8.484 0.030 1 1165 108 108 ASP HA H 4.467 0.030 1 1166 108 108 ASP HB2 H 2.818 0.030 2 1167 108 108 ASP HB3 H 2.521 0.030 2 1168 108 108 ASP C C 177.179 0.300 1 1169 108 108 ASP CA C 53.417 0.300 1 1170 108 108 ASP CB C 40.030 0.300 1 1171 108 108 ASP N N 125.414 0.300 1 1172 109 109 LEU H H 8.470 0.030 1 1173 109 109 LEU HA H 3.846 0.030 1 1174 109 109 LEU HB2 H 2.032 0.030 2 1175 109 109 LEU HB3 H 1.620 0.030 2 1176 109 109 LEU HD1 H 0.729 0.030 1 1177 109 109 LEU HD2 H 0.470 0.030 1 1178 109 109 LEU HG H 1.665 0.030 1 1179 109 109 LEU C C 178.145 0.300 1 1180 109 109 LEU CA C 56.573 0.300 1 1181 109 109 LEU CB C 42.011 0.300 1 1182 109 109 LEU CD1 C 26.770 0.300 2 1183 109 109 LEU CD2 C 22.910 0.300 2 1184 109 109 LEU CG C 26.795 0.300 1 1185 109 109 LEU N N 127.577 0.300 1 1186 110 110 LYS H H 8.062 0.030 1 1187 110 110 LYS HA H 3.022 0.030 1 1188 110 110 LYS HB2 H 1.253 0.030 2 1189 110 110 LYS HB3 H 1.179 0.030 2 1190 110 110 LYS HD2 H 1.384 0.030 1 1191 110 110 LYS HD3 H 1.384 0.030 1 1192 110 110 LYS HE2 H 2.820 0.030 2 1193 110 110 LYS HG2 H 0.516 0.030 2 1194 110 110 LYS HG3 H 0.381 0.030 2 1195 110 110 LYS C C 177.248 0.300 1 1196 110 110 LYS CA C 58.742 0.300 1 1197 110 110 LYS CB C 31.667 0.300 1 1198 110 110 LYS CD C 29.034 0.300 1 1199 110 110 LYS CE C 41.557 0.300 1 1200 110 110 LYS CG C 24.365 0.300 1 1201 110 110 LYS N N 118.873 0.300 1 1202 111 111 GLU H H 7.113 0.030 1 1203 111 111 GLU HA H 4.117 0.030 1 1204 111 111 GLU HB2 H 2.167 0.030 2 1205 111 111 GLU HB3 H 1.782 0.030 2 1206 111 111 GLU HG2 H 2.206 0.030 2 1207 111 111 GLU HG3 H 2.032 0.030 2 1208 111 111 GLU C C 176.519 0.300 1 1209 111 111 GLU CA C 55.621 0.300 1 1210 111 111 GLU CB C 29.943 0.300 1 1211 111 111 GLU CG C 36.060 0.300 1 1212 111 111 GLU N N 114.282 0.300 1 1213 112 112 LEU H H 6.848 0.030 1 1214 112 112 LEU HA H 4.293 0.030 1 1215 112 112 LEU HB2 H 1.677 0.030 2 1216 112 112 LEU HB3 H 1.331 0.030 2 1217 112 112 LEU HD1 H 0.784 0.030 1 1218 112 112 LEU HD2 H 0.814 0.030 1 1219 112 112 LEU HG H 1.671 0.030 1 1220 112 112 LEU C C 175.674 0.300 1 1221 112 112 LEU CA C 55.197 0.300 1 1222 112 112 LEU CB C 41.681 0.300 1 1223 112 112 LEU CD1 C 26.415 0.300 2 1224 112 112 LEU CD2 C 23.916 0.300 2 1225 112 112 LEU CG C 26.951 0.300 1 1226 112 112 LEU N N 118.934 0.300 1 1227 113 113 ASP H H 8.466 0.030 1 1228 113 113 ASP HA H 4.593 0.030 1 1229 113 113 ASP HB2 H 2.651 0.030 2 1230 113 113 ASP HB3 H 2.528 0.030 2 1231 113 113 ASP C C 174.511 0.300 1 1232 113 113 ASP CA C 53.558 0.300 1 1233 113 113 ASP CB C 42.448 0.300 1 1234 113 113 ASP N N 122.148 0.300 1 1235 114 114 GLN H H 8.119 0.030 1 1236 114 114 GLN HA H 4.097 0.030 1 1237 114 114 GLN HB2 H 1.984 0.030 2 1238 114 114 GLN HB3 H 1.924 0.030 2 1239 114 114 GLN HE21 H 7.616 0.030 2 1240 114 114 GLN HE22 H 6.771 0.030 2 1241 114 114 GLN HG2 H 2.240 0.030 1 1242 114 114 GLN HG3 H 2.240 0.030 1 1243 114 114 GLN C C 180.341 0.300 1 1244 114 114 GLN CA C 57.454 0.300 1 1245 114 114 GLN CB C 30.395 0.300 1 1246 114 114 GLN CG C 34.315 0.300 1 1247 114 114 GLN N N 123.906 0.300 1 1248 114 114 GLN NE2 N 112.963 0.300 1 stop_ save_