data_11187 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the 7th PDZ domain of InaD-like protein ; _BMRB_accession_number 11187 _BMRB_flat_file_name bmr11187.str _Entry_type original _Submission_date 2010-07-21 _Accession_date 2010-07-23 _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 Inoue K. . . 2 Nagashima T. . . 3 Izumi K. . . 4 Hayashi F. . . 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" 682 "13C chemical shifts" 499 "15N chemical shifts" 121 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-07-20 original author . stop_ _Original_release_date 2011-07-20 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the 7th PDZ domain of InaD-like 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 Inoue K. . . 2 Nagashima T. . . 3 Izumi K. . . 4 Hayashi F. . . 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 'InaD-like protein' _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 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 124 _Mol_residue_sequence ; GSSGSSGDAFTDQKIRQRYA DLPGELHIIELEKDKNGLGL SLAGNKDRSRMSIFVVGINP EGPAAADGRMRIGDELLEIN NQILYGRSHQNASAIIKTAP SKVKLVFIRNEDAVNQMASG PSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ASP 9 ALA 10 PHE 11 THR 12 ASP 13 GLN 14 LYS 15 ILE 16 ARG 17 GLN 18 ARG 19 TYR 20 ALA 21 ASP 22 LEU 23 PRO 24 GLY 25 GLU 26 LEU 27 HIS 28 ILE 29 ILE 30 GLU 31 LEU 32 GLU 33 LYS 34 ASP 35 LYS 36 ASN 37 GLY 38 LEU 39 GLY 40 LEU 41 SER 42 LEU 43 ALA 44 GLY 45 ASN 46 LYS 47 ASP 48 ARG 49 SER 50 ARG 51 MET 52 SER 53 ILE 54 PHE 55 VAL 56 VAL 57 GLY 58 ILE 59 ASN 60 PRO 61 GLU 62 GLY 63 PRO 64 ALA 65 ALA 66 ALA 67 ASP 68 GLY 69 ARG 70 MET 71 ARG 72 ILE 73 GLY 74 ASP 75 GLU 76 LEU 77 LEU 78 GLU 79 ILE 80 ASN 81 ASN 82 GLN 83 ILE 84 LEU 85 TYR 86 GLY 87 ARG 88 SER 89 HIS 90 GLN 91 ASN 92 ALA 93 SER 94 ALA 95 ILE 96 ILE 97 LYS 98 THR 99 ALA 100 PRO 101 SER 102 LYS 103 VAL 104 LYS 105 LEU 106 VAL 107 PHE 108 ILE 109 ARG 110 ASN 111 GLU 112 ASP 113 ALA 114 VAL 115 ASN 116 GLN 117 MET 118 ALA 119 SER 120 GLY 121 PRO 122 SER 123 SER 124 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-23 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 2DAZ "Solution Structure Of The 7th Pdz Domain Of Inad-Like Protein" 100.00 124 100.00 100.00 1.42e-82 REF XP_003361134 "PREDICTED: inaD-like protein, partial [Sus scrofa]" 54.84 114 98.53 98.53 4.82e-39 REF XP_008592429 "PREDICTED: inaD-like protein, partial [Galeopterus variegatus]" 78.23 138 97.94 98.97 8.55e-61 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . plasmid P050302-33 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.28mM U-15N,13C-labeled {protein;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.28 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1C loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20031121 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.93191 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $VNMR $NMRPipe $NMRView $Kujira $CYANA stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name '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 7 7 GLY HA2 H 3.997 0.030 1 2 7 7 GLY HA3 H 3.997 0.030 1 3 7 7 GLY C C 174.309 0.300 1 4 7 7 GLY CA C 45.517 0.300 1 5 8 8 ASP H H 8.157 0.030 1 6 8 8 ASP HA H 4.576 0.030 1 7 8 8 ASP HB2 H 2.675 0.030 1 8 8 8 ASP HB3 H 2.675 0.030 1 9 8 8 ASP C C 177.819 0.300 1 10 8 8 ASP CA C 54.457 0.300 1 11 8 8 ASP CB C 41.184 0.300 1 12 8 8 ASP N N 120.977 0.300 1 13 9 9 ALA H H 8.155 0.030 1 14 9 9 ALA HA H 4.092 0.030 1 15 9 9 ALA HB H 1.119 0.030 1 16 9 9 ALA C C 177.837 0.300 1 17 9 9 ALA CA C 53.408 0.300 1 18 9 9 ALA CB C 18.744 0.300 1 19 9 9 ALA N N 122.955 0.300 1 20 10 10 PHE H H 8.274 0.030 1 21 10 10 PHE HA H 4.603 0.030 1 22 10 10 PHE HB2 H 2.887 0.030 2 23 10 10 PHE HB3 H 3.322 0.030 2 24 10 10 PHE HD1 H 7.221 0.030 1 25 10 10 PHE HD2 H 7.221 0.030 1 26 10 10 PHE HE1 H 7.291 0.030 1 27 10 10 PHE HE2 H 7.291 0.030 1 28 10 10 PHE HZ H 7.230 0.030 1 29 10 10 PHE C C 176.495 0.300 1 30 10 10 PHE CA C 58.050 0.300 1 31 10 10 PHE CB C 38.772 0.300 1 32 10 10 PHE CD1 C 131.557 0.300 1 33 10 10 PHE CD2 C 131.557 0.300 1 34 10 10 PHE CE1 C 131.441 0.300 1 35 10 10 PHE CE2 C 131.441 0.300 1 36 10 10 PHE CZ C 129.630 0.300 1 37 10 10 PHE N N 116.699 0.300 1 38 11 11 THR H H 7.417 0.030 1 39 11 11 THR HA H 4.237 0.030 1 40 11 11 THR HB H 4.456 0.030 1 41 11 11 THR HG2 H 1.315 0.030 1 42 11 11 THR C C 175.317 0.300 1 43 11 11 THR CA C 62.528 0.300 1 44 11 11 THR CB C 69.925 0.300 1 45 11 11 THR CG2 C 22.161 0.300 1 46 11 11 THR N N 112.454 0.300 1 47 12 12 ASP H H 8.633 0.030 1 48 12 12 ASP HA H 4.283 0.030 1 49 12 12 ASP HB2 H 2.598 0.030 2 50 12 12 ASP HB3 H 2.625 0.030 2 51 12 12 ASP C C 177.775 0.300 1 52 12 12 ASP CA C 57.419 0.300 1 53 12 12 ASP CB C 40.136 0.300 1 54 12 12 ASP N N 122.317 0.300 1 55 13 13 GLN H H 8.258 0.030 1 56 13 13 GLN HA H 3.929 0.030 1 57 13 13 GLN HB2 H 2.000 0.030 2 58 13 13 GLN HB3 H 2.091 0.030 2 59 13 13 GLN HE21 H 7.465 0.030 2 60 13 13 GLN HE22 H 6.858 0.030 2 61 13 13 GLN HG2 H 2.360 0.030 2 62 13 13 GLN HG3 H 2.417 0.030 2 63 13 13 GLN C C 178.509 0.300 1 64 13 13 GLN CA C 59.248 0.300 1 65 13 13 GLN CB C 28.263 0.300 1 66 13 13 GLN CG C 33.723 0.300 1 67 13 13 GLN N N 117.568 0.300 1 68 13 13 GLN NE2 N 111.985 0.300 1 69 14 14 LYS H H 7.608 0.030 1 70 14 14 LYS HA H 3.952 0.030 1 71 14 14 LYS HB2 H 1.648 0.030 2 72 14 14 LYS HB3 H 1.851 0.030 2 73 14 14 LYS HD2 H 1.585 0.030 1 74 14 14 LYS HD3 H 1.585 0.030 1 75 14 14 LYS HE2 H 2.875 0.030 2 76 14 14 LYS HE3 H 2.900 0.030 2 77 14 14 LYS HG2 H 1.294 0.030 2 78 14 14 LYS HG3 H 1.500 0.030 2 79 14 14 LYS C C 179.602 0.300 1 80 14 14 LYS CA C 58.566 0.300 1 81 14 14 LYS CB C 31.764 0.300 1 82 14 14 LYS CD C 28.554 0.300 1 83 14 14 LYS CE C 42.131 0.300 1 84 14 14 LYS CG C 25.148 0.300 1 85 14 14 LYS N N 119.091 0.300 1 86 15 15 ILE H H 7.981 0.030 1 87 15 15 ILE HA H 3.509 0.030 1 88 15 15 ILE HB H 1.925 0.030 1 89 15 15 ILE HD1 H 0.898 0.030 1 90 15 15 ILE HG12 H 1.779 0.030 2 91 15 15 ILE HG13 H 1.262 0.030 2 92 15 15 ILE HG2 H 0.998 0.030 1 93 15 15 ILE C C 177.279 0.300 1 94 15 15 ILE CA C 65.441 0.300 1 95 15 15 ILE CB C 38.353 0.300 1 96 15 15 ILE CD1 C 14.254 0.300 1 97 15 15 ILE CG1 C 29.263 0.300 1 98 15 15 ILE CG2 C 19.099 0.300 1 99 15 15 ILE N N 121.591 0.300 1 100 16 16 ARG H H 7.989 0.030 1 101 16 16 ARG HA H 3.803 0.030 1 102 16 16 ARG HB2 H 1.505 0.030 2 103 16 16 ARG HB3 H 1.829 0.030 2 104 16 16 ARG HD2 H 3.021 0.030 2 105 16 16 ARG HD3 H 3.196 0.030 2 106 16 16 ARG HE H 7.498 0.030 1 107 16 16 ARG HG2 H 1.712 0.030 2 108 16 16 ARG HG3 H 1.758 0.030 2 109 16 16 ARG C C 179.817 0.300 1 110 16 16 ARG CA C 60.064 0.300 1 111 16 16 ARG CB C 29.229 0.300 1 112 16 16 ARG CD C 43.046 0.300 1 113 16 16 ARG CG C 29.254 0.300 1 114 16 16 ARG N N 116.248 0.300 1 115 16 16 ARG NE N 85.303 0.300 1 116 17 17 GLN H H 7.758 0.030 1 117 17 17 GLN HA H 3.995 0.030 1 118 17 17 GLN HB2 H 2.014 0.030 2 119 17 17 GLN HB3 H 2.077 0.030 2 120 17 17 GLN HE21 H 6.782 0.030 2 121 17 17 GLN HE22 H 7.413 0.030 2 122 17 17 GLN HG2 H 2.332 0.030 2 123 17 17 GLN HG3 H 2.488 0.030 2 124 17 17 GLN C C 178.316 0.300 1 125 17 17 GLN CA C 58.376 0.300 1 126 17 17 GLN CB C 28.572 0.300 1 127 17 17 GLN CG C 33.908 0.300 1 128 17 17 GLN N N 116.709 0.300 1 129 17 17 GLN NE2 N 111.509 0.300 1 130 18 18 ARG H H 7.704 0.030 1 131 18 18 ARG HA H 3.788 0.030 1 132 18 18 ARG HB2 H 1.386 0.030 2 133 18 18 ARG HB3 H 1.616 0.030 2 134 18 18 ARG HD2 H 2.925 0.030 2 135 18 18 ARG HD3 H 3.068 0.030 2 136 18 18 ARG HG2 H 0.606 0.030 2 137 18 18 ARG HG3 H 1.190 0.030 2 138 18 18 ARG C C 177.510 0.300 1 139 18 18 ARG CA C 58.995 0.300 1 140 18 18 ARG CB C 29.815 0.300 1 141 18 18 ARG CD C 43.852 0.300 1 142 18 18 ARG CG C 27.175 0.300 1 143 18 18 ARG N N 120.567 0.300 1 144 19 19 TYR H H 6.778 0.030 1 145 19 19 TYR HA H 4.843 0.030 1 146 19 19 TYR HB2 H 2.272 0.030 2 147 19 19 TYR HB3 H 3.396 0.030 2 148 19 19 TYR HD1 H 6.947 0.030 1 149 19 19 TYR HD2 H 6.947 0.030 1 150 19 19 TYR HE1 H 6.695 0.030 1 151 19 19 TYR HE2 H 6.695 0.030 1 152 19 19 TYR C C 176.166 0.300 1 153 19 19 TYR CA C 56.877 0.300 1 154 19 19 TYR CB C 38.440 0.300 1 155 19 19 TYR CD1 C 133.594 0.300 1 156 19 19 TYR CD2 C 133.594 0.300 1 157 19 19 TYR CE1 C 117.078 0.300 1 158 19 19 TYR CE2 C 117.078 0.300 1 159 19 19 TYR N N 114.327 0.300 1 160 20 20 ALA H H 7.089 0.030 1 161 20 20 ALA HA H 4.114 0.030 1 162 20 20 ALA HB H 1.500 0.030 1 163 20 20 ALA C C 177.726 0.300 1 164 20 20 ALA CA C 55.018 0.300 1 165 20 20 ALA CB C 19.129 0.300 1 166 20 20 ALA N N 123.136 0.300 1 167 21 21 ASP H H 8.479 0.030 1 168 21 21 ASP HA H 4.632 0.030 1 169 21 21 ASP HB2 H 2.596 0.030 2 170 21 21 ASP HB3 H 2.752 0.030 2 171 21 21 ASP C C 176.415 0.300 1 172 21 21 ASP CA C 54.073 0.300 1 173 21 21 ASP CB C 40.450 0.300 1 174 21 21 ASP N N 113.108 0.300 1 175 22 22 LEU H H 7.648 0.030 1 176 22 22 LEU HA H 4.653 0.030 1 177 22 22 LEU HB2 H 1.782 0.030 2 178 22 22 LEU HB3 H 1.437 0.030 2 179 22 22 LEU HD1 H 0.892 0.030 1 180 22 22 LEU HD2 H 0.878 0.030 1 181 22 22 LEU HG H 1.777 0.030 1 182 22 22 LEU C C 174.963 0.300 1 183 22 22 LEU CA C 52.834 0.300 1 184 22 22 LEU CB C 41.727 0.300 1 185 22 22 LEU CD1 C 26.203 0.300 2 186 22 22 LEU CD2 C 23.158 0.300 2 187 22 22 LEU CG C 27.306 0.300 1 188 22 22 LEU N N 122.913 0.300 1 189 23 23 PRO HA H 4.522 0.030 1 190 23 23 PRO HB2 H 1.933 0.030 2 191 23 23 PRO HB3 H 2.236 0.030 2 192 23 23 PRO HD2 H 3.714 0.030 2 193 23 23 PRO HD3 H 3.912 0.030 2 194 23 23 PRO HG2 H 2.084 0.030 2 195 23 23 PRO HG3 H 2.171 0.030 2 196 23 23 PRO C C 175.955 0.300 1 197 23 23 PRO CA C 62.729 0.300 1 198 23 23 PRO CB C 31.769 0.300 1 199 23 23 PRO CD C 50.265 0.300 1 200 23 23 PRO CG C 27.281 0.300 1 201 24 24 GLY H H 8.168 0.030 1 202 24 24 GLY HA2 H 3.881 0.030 2 203 24 24 GLY HA3 H 4.445 0.030 2 204 24 24 GLY C C 173.122 0.300 1 205 24 24 GLY CA C 43.632 0.300 1 206 24 24 GLY N N 108.492 0.300 1 207 25 25 GLU H H 8.173 0.030 1 208 25 25 GLU HA H 4.546 0.030 1 209 25 25 GLU HB2 H 2.019 0.030 2 210 25 25 GLU HB3 H 2.069 0.030 2 211 25 25 GLU HG2 H 2.002 0.030 2 212 25 25 GLU HG3 H 2.262 0.030 2 213 25 25 GLU C C 174.887 0.300 1 214 25 25 GLU CA C 54.762 0.300 1 215 25 25 GLU CB C 32.728 0.300 1 216 25 25 GLU CG C 36.067 0.300 1 217 25 25 GLU N N 118.566 0.300 1 218 26 26 LEU H H 8.764 0.030 1 219 26 26 LEU HA H 4.606 0.030 1 220 26 26 LEU HB2 H 1.469 0.030 2 221 26 26 LEU HB3 H 1.571 0.030 2 222 26 26 LEU HD1 H 0.643 0.030 1 223 26 26 LEU HD2 H 0.764 0.030 1 224 26 26 LEU HG H 1.420 0.030 1 225 26 26 LEU C C 175.856 0.300 1 226 26 26 LEU CA C 54.638 0.300 1 227 26 26 LEU CB C 43.337 0.300 1 228 26 26 LEU CD1 C 25.408 0.300 2 229 26 26 LEU CD2 C 26.666 0.300 2 230 26 26 LEU CG C 27.327 0.300 1 231 26 26 LEU N N 130.900 0.300 1 232 27 27 HIS H H 9.037 0.030 1 233 27 27 HIS HA H 4.367 0.030 1 234 27 27 HIS HB2 H 0.747 0.030 2 235 27 27 HIS HB3 H 1.977 0.030 2 236 27 27 HIS HD2 H 6.605 0.030 1 237 27 27 HIS HE1 H 7.687 0.030 1 238 27 27 HIS C C 172.926 0.300 1 239 27 27 HIS CA C 55.321 0.300 1 240 27 27 HIS CB C 35.247 0.300 1 241 27 27 HIS CD2 C 117.647 0.300 1 242 27 27 HIS CE1 C 137.891 0.300 1 243 27 27 HIS N N 126.301 0.300 1 244 28 28 ILE H H 8.041 0.030 1 245 28 28 ILE HA H 4.888 0.030 1 246 28 28 ILE HB H 1.641 0.030 1 247 28 28 ILE HD1 H 0.815 0.030 1 248 28 28 ILE HG12 H 0.971 0.030 2 249 28 28 ILE HG13 H 1.420 0.030 2 250 28 28 ILE HG2 H 0.784 0.030 1 251 28 28 ILE C C 176.327 0.300 1 252 28 28 ILE CA C 61.026 0.300 1 253 28 28 ILE CB C 40.438 0.300 1 254 28 28 ILE CD1 C 14.521 0.300 1 255 28 28 ILE CG1 C 27.666 0.300 1 256 28 28 ILE CG2 C 17.542 0.300 1 257 28 28 ILE N N 120.665 0.300 1 258 29 29 ILE H H 9.061 0.030 1 259 29 29 ILE HA H 5.028 0.030 1 260 29 29 ILE HB H 2.022 0.030 1 261 29 29 ILE HD1 H 0.951 0.030 1 262 29 29 ILE HG12 H 1.211 0.030 2 263 29 29 ILE HG13 H 1.371 0.030 2 264 29 29 ILE HG2 H 1.005 0.030 1 265 29 29 ILE C C 173.067 0.300 1 266 29 29 ILE CA C 59.018 0.300 1 267 29 29 ILE CB C 42.889 0.300 1 268 29 29 ILE CD1 C 14.132 0.300 1 269 29 29 ILE CG1 C 26.026 0.300 1 270 29 29 ILE CG2 C 17.085 0.300 1 271 29 29 ILE N N 119.777 0.300 1 272 30 30 GLU H H 8.047 0.030 1 273 30 30 GLU HA H 5.446 0.030 1 274 30 30 GLU HB2 H 1.848 0.030 1 275 30 30 GLU HB3 H 1.848 0.030 1 276 30 30 GLU HG2 H 1.959 0.030 2 277 30 30 GLU HG3 H 2.126 0.030 2 278 30 30 GLU C C 175.189 0.300 1 279 30 30 GLU CA C 54.856 0.300 1 280 30 30 GLU CB C 33.166 0.300 1 281 30 30 GLU CG C 37.252 0.300 1 282 30 30 GLU N N 119.551 0.300 1 283 31 31 LEU H H 8.670 0.030 1 284 31 31 LEU HA H 4.740 0.030 1 285 31 31 LEU HB2 H 1.524 0.030 2 286 31 31 LEU HB3 H 1.269 0.030 2 287 31 31 LEU HD1 H 0.793 0.030 1 288 31 31 LEU HD2 H 0.918 0.030 1 289 31 31 LEU HG H 1.460 0.030 1 290 31 31 LEU C C 174.469 0.300 1 291 31 31 LEU CA C 53.137 0.300 1 292 31 31 LEU CB C 47.576 0.300 1 293 31 31 LEU CD1 C 26.573 0.300 2 294 31 31 LEU CD2 C 24.178 0.300 2 295 31 31 LEU CG C 26.982 0.300 1 296 31 31 LEU N N 122.475 0.300 1 297 32 32 GLU H H 8.489 0.030 1 298 32 32 GLU HA H 5.125 0.030 1 299 32 32 GLU HB2 H 1.775 0.030 2 300 32 32 GLU HB3 H 1.953 0.030 2 301 32 32 GLU HG2 H 2.177 0.030 1 302 32 32 GLU HG3 H 2.177 0.030 1 303 32 32 GLU C C 176.161 0.300 1 304 32 32 GLU CA C 54.501 0.300 1 305 32 32 GLU CB C 31.277 0.300 1 306 32 32 GLU CG C 36.549 0.300 1 307 32 32 GLU N N 121.455 0.300 1 308 33 33 LYS H H 8.825 0.030 1 309 33 33 LYS HA H 4.152 0.030 1 310 33 33 LYS HB2 H 1.783 0.030 2 311 33 33 LYS HB3 H 1.840 0.030 2 312 33 33 LYS HD2 H 1.529 0.030 2 313 33 33 LYS HD3 H 1.676 0.030 2 314 33 33 LYS HE2 H 2.863 0.030 1 315 33 33 LYS HE3 H 2.863 0.030 1 316 33 33 LYS HG2 H 1.186 0.030 2 317 33 33 LYS HG3 H 1.608 0.030 2 318 33 33 LYS C C 177.082 0.300 1 319 33 33 LYS CA C 57.270 0.300 1 320 33 33 LYS CB C 34.614 0.300 1 321 33 33 LYS CD C 30.155 0.300 1 322 33 33 LYS CE C 41.757 0.300 1 323 33 33 LYS CG C 25.760 0.300 1 324 33 33 LYS N N 122.464 0.300 1 325 34 34 ASP H H 8.379 0.030 1 326 34 34 ASP HA H 4.873 0.030 1 327 34 34 ASP HB2 H 2.710 0.030 2 328 34 34 ASP HB3 H 3.239 0.030 2 329 34 34 ASP C C 178.216 0.300 1 330 34 34 ASP CA C 52.274 0.300 1 331 34 34 ASP CB C 41.909 0.300 1 332 34 34 ASP N N 121.884 0.300 1 333 35 35 LYS H H 8.294 0.030 1 334 35 35 LYS HA H 4.110 0.030 1 335 35 35 LYS HB2 H 1.812 0.030 2 336 35 35 LYS HB3 H 1.883 0.030 2 337 35 35 LYS HD2 H 1.668 0.030 1 338 35 35 LYS HD3 H 1.668 0.030 1 339 35 35 LYS HE2 H 2.991 0.030 1 340 35 35 LYS HE3 H 2.991 0.030 1 341 35 35 LYS HG2 H 1.338 0.030 2 342 35 35 LYS HG3 H 1.406 0.030 2 343 35 35 LYS C C 177.026 0.300 1 344 35 35 LYS CA C 58.796 0.300 1 345 35 35 LYS CB C 31.589 0.300 1 346 35 35 LYS CD C 29.170 0.300 1 347 35 35 LYS CE C 42.020 0.300 1 348 35 35 LYS CG C 24.140 0.300 1 349 35 35 LYS N N 118.021 0.300 1 350 36 36 ASN H H 8.680 0.030 1 351 36 36 ASN HA H 4.900 0.030 1 352 36 36 ASN HB2 H 2.800 0.030 2 353 36 36 ASN HB3 H 2.904 0.030 2 354 36 36 ASN HD21 H 6.985 0.030 2 355 36 36 ASN HD22 H 7.991 0.030 2 356 36 36 ASN C C 175.408 0.300 1 357 36 36 ASN CA C 53.382 0.300 1 358 36 36 ASN CB C 39.729 0.300 1 359 36 36 ASN N N 116.217 0.300 1 360 36 36 ASN ND2 N 115.558 0.300 1 361 37 37 GLY H H 8.167 0.030 1 362 37 37 GLY HA2 H 3.584 0.030 2 363 37 37 GLY HA3 H 4.523 0.030 2 364 37 37 GLY C C 172.375 0.300 1 365 37 37 GLY CA C 45.669 0.300 1 366 37 37 GLY N N 109.700 0.300 1 367 38 38 LEU H H 9.214 0.030 1 368 38 38 LEU HA H 4.502 0.030 1 369 38 38 LEU HB2 H 1.503 0.030 2 370 38 38 LEU HB3 H 1.656 0.030 2 371 38 38 LEU HD1 H 0.856 0.030 1 372 38 38 LEU HD2 H 0.754 0.030 1 373 38 38 LEU HG H 1.553 0.030 1 374 38 38 LEU CA C 54.125 0.300 1 375 38 38 LEU CB C 44.256 0.300 1 376 38 38 LEU CD1 C 26.188 0.300 2 377 38 38 LEU CD2 C 23.879 0.300 2 378 38 38 LEU CG C 26.364 0.300 1 379 39 39 GLY HA2 H 4.049 0.030 1 380 39 39 GLY HA3 H 4.049 0.030 1 381 39 39 GLY C C 174.889 0.300 1 382 39 39 GLY CA C 46.994 0.300 1 383 40 40 LEU H H 7.643 0.030 1 384 40 40 LEU HA H 4.935 0.030 1 385 40 40 LEU HB2 H 1.167 0.030 2 386 40 40 LEU HB3 H 1.639 0.030 2 387 40 40 LEU HD1 H 0.646 0.030 1 388 40 40 LEU HD2 H 0.741 0.030 1 389 40 40 LEU HG H 1.374 0.030 1 390 40 40 LEU C C 176.064 0.300 1 391 40 40 LEU CA C 53.262 0.300 1 392 40 40 LEU CB C 45.912 0.300 1 393 40 40 LEU CD1 C 25.218 0.300 2 394 40 40 LEU CD2 C 24.136 0.300 2 395 40 40 LEU CG C 25.974 0.300 1 396 40 40 LEU N N 118.580 0.300 1 397 41 41 SER H H 8.594 0.030 1 398 41 41 SER HA H 4.820 0.030 1 399 41 41 SER HB2 H 3.389 0.030 2 400 41 41 SER HB3 H 3.705 0.030 2 401 41 41 SER C C 173.333 0.300 1 402 41 41 SER CA C 57.495 0.300 1 403 41 41 SER CB C 64.072 0.300 1 404 41 41 SER N N 118.596 0.300 1 405 42 42 LEU H H 8.887 0.030 1 406 42 42 LEU HA H 5.674 0.030 1 407 42 42 LEU HB2 H 1.862 0.030 2 408 42 42 LEU HB3 H 1.268 0.030 2 409 42 42 LEU HD1 H 0.775 0.030 1 410 42 42 LEU HD2 H 0.658 0.030 1 411 42 42 LEU HG H 1.543 0.030 1 412 42 42 LEU C C 175.121 0.300 1 413 42 42 LEU CA C 52.887 0.300 1 414 42 42 LEU CB C 45.312 0.300 1 415 42 42 LEU CD1 C 25.574 0.300 2 416 42 42 LEU CD2 C 24.147 0.300 2 417 42 42 LEU CG C 27.170 0.300 1 418 42 42 LEU N N 125.897 0.300 1 419 43 43 ALA H H 8.989 0.030 1 420 43 43 ALA HA H 3.624 0.030 1 421 43 43 ALA HB H 1.263 0.030 1 422 43 43 ALA C C 175.308 0.300 1 423 43 43 ALA CA C 50.819 0.300 1 424 43 43 ALA CB C 23.718 0.300 1 425 43 43 ALA N N 121.280 0.300 1 426 44 44 GLY H H 8.035 0.030 1 427 44 44 GLY HA2 H 3.786 0.030 2 428 44 44 GLY HA3 H 5.266 0.030 2 429 44 44 GLY C C 173.066 0.300 1 430 44 44 GLY CA C 43.812 0.300 1 431 44 44 GLY N N 105.536 0.300 1 432 45 45 ASN H H 9.010 0.030 1 433 45 45 ASN HA H 4.975 0.030 1 434 45 45 ASN HB2 H 2.426 0.030 2 435 45 45 ASN HB3 H 3.180 0.030 2 436 45 45 ASN HD21 H 7.333 0.030 2 437 45 45 ASN HD22 H 8.247 0.030 2 438 45 45 ASN C C 176.502 0.300 1 439 45 45 ASN CA C 52.714 0.300 1 440 45 45 ASN CB C 40.559 0.300 1 441 45 45 ASN N N 119.508 0.300 1 442 45 45 ASN ND2 N 114.784 0.300 1 443 46 46 LYS H H 8.871 0.030 1 444 46 46 LYS HA H 4.072 0.030 1 445 46 46 LYS HB2 H 1.657 0.030 2 446 46 46 LYS HB3 H 1.751 0.030 2 447 46 46 LYS HD2 H 1.619 0.030 1 448 46 46 LYS HD3 H 1.619 0.030 1 449 46 46 LYS HE2 H 2.953 0.030 1 450 46 46 LYS HE3 H 2.953 0.030 1 451 46 46 LYS HG2 H 1.263 0.030 2 452 46 46 LYS HG3 H 1.393 0.030 2 453 46 46 LYS C C 176.748 0.300 1 454 46 46 LYS CA C 58.809 0.300 1 455 46 46 LYS CB C 32.713 0.300 1 456 46 46 LYS CD C 29.562 0.300 1 457 46 46 LYS CE C 42.140 0.300 1 458 46 46 LYS CG C 24.929 0.300 1 459 46 46 LYS N N 126.224 0.300 1 460 47 47 ASP H H 9.188 0.030 1 461 47 47 ASP HA H 4.686 0.030 1 462 47 47 ASP HB2 H 2.578 0.030 2 463 47 47 ASP HB3 H 2.833 0.030 2 464 47 47 ASP C C 176.687 0.300 1 465 47 47 ASP CA C 52.830 0.300 1 466 47 47 ASP CB C 40.780 0.300 1 467 47 47 ASP N N 120.146 0.300 1 468 48 48 ARG H H 8.504 0.030 1 469 48 48 ARG HA H 4.289 0.030 1 470 48 48 ARG HB2 H 1.907 0.030 2 471 48 48 ARG HB3 H 2.044 0.030 2 472 48 48 ARG HD2 H 3.296 0.030 1 473 48 48 ARG HD3 H 3.296 0.030 1 474 48 48 ARG HG2 H 1.811 0.030 1 475 48 48 ARG HG3 H 1.811 0.030 1 476 48 48 ARG C C 177.020 0.300 1 477 48 48 ARG CA C 57.563 0.300 1 478 48 48 ARG CB C 29.553 0.300 1 479 48 48 ARG CD C 43.242 0.300 1 480 48 48 ARG CG C 27.292 0.300 1 481 48 48 ARG N N 123.411 0.300 1 482 49 49 SER H H 8.648 0.030 1 483 49 49 SER HA H 4.390 0.030 1 484 49 49 SER HB2 H 3.893 0.030 2 485 49 49 SER HB3 H 4.009 0.030 2 486 49 49 SER C C 173.945 0.300 1 487 49 49 SER CA C 59.527 0.300 1 488 49 49 SER CB C 63.827 0.300 1 489 49 49 SER N N 114.937 0.300 1 490 50 50 ARG H H 7.981 0.030 1 491 50 50 ARG HA H 4.527 0.030 1 492 50 50 ARG HB2 H 1.672 0.030 2 493 50 50 ARG HB3 H 1.785 0.030 2 494 50 50 ARG HD2 H 3.164 0.030 1 495 50 50 ARG HD3 H 3.164 0.030 1 496 50 50 ARG HG2 H 1.504 0.030 2 497 50 50 ARG HG3 H 1.549 0.030 2 498 50 50 ARG C C 174.965 0.300 1 499 50 50 ARG CA C 54.689 0.300 1 500 50 50 ARG CB C 32.247 0.300 1 501 50 50 ARG CD C 43.171 0.300 1 502 50 50 ARG CG C 26.991 0.300 1 503 50 50 ARG N N 123.046 0.300 1 504 51 51 MET H H 8.498 0.030 1 505 51 51 MET HA H 4.819 0.030 1 506 51 51 MET HB2 H 1.809 0.030 1 507 51 51 MET HB3 H 1.809 0.030 1 508 51 51 MET HE H 1.970 0.030 1 509 51 51 MET HG2 H 2.343 0.030 2 510 51 51 MET HG3 H 2.471 0.030 2 511 51 51 MET C C 175.484 0.300 1 512 51 51 MET CA C 54.263 0.300 1 513 51 51 MET CB C 32.019 0.300 1 514 51 51 MET CE C 17.015 0.300 1 515 51 51 MET CG C 31.964 0.300 1 516 51 51 MET N N 122.249 0.300 1 517 52 52 SER H H 8.087 0.030 1 518 52 52 SER HA H 4.548 0.030 1 519 52 52 SER HB2 H 2.922 0.030 2 520 52 52 SER HB3 H 2.825 0.030 2 521 52 52 SER C C 172.452 0.300 1 522 52 52 SER CA C 57.701 0.300 1 523 52 52 SER CB C 67.374 0.300 1 524 52 52 SER N N 118.461 0.300 1 525 53 53 ILE H H 8.260 0.030 1 526 53 53 ILE HA H 4.370 0.030 1 527 53 53 ILE HB H 1.937 0.030 1 528 53 53 ILE HD1 H 0.720 0.030 1 529 53 53 ILE HG12 H 0.669 0.030 2 530 53 53 ILE HG13 H 1.543 0.030 2 531 53 53 ILE HG2 H 0.790 0.030 1 532 53 53 ILE C C 173.774 0.300 1 533 53 53 ILE CA C 60.396 0.300 1 534 53 53 ILE CB C 38.747 0.300 1 535 53 53 ILE CD1 C 15.816 0.300 1 536 53 53 ILE CG1 C 27.151 0.300 1 537 53 53 ILE CG2 C 20.170 0.300 1 538 53 53 ILE N N 124.110 0.300 1 539 54 54 PHE H H 9.252 0.030 1 540 54 54 PHE HA H 5.481 0.030 1 541 54 54 PHE HB2 H 2.456 0.030 2 542 54 54 PHE HB3 H 2.780 0.030 2 543 54 54 PHE HD1 H 7.006 0.030 1 544 54 54 PHE HD2 H 7.006 0.030 1 545 54 54 PHE HE1 H 7.227 0.030 1 546 54 54 PHE HE2 H 7.227 0.030 1 547 54 54 PHE HZ H 7.230 0.030 1 548 54 54 PHE C C 176.016 0.300 1 549 54 54 PHE CA C 56.190 0.300 1 550 54 54 PHE CB C 42.967 0.300 1 551 54 54 PHE CD1 C 131.013 0.300 1 552 54 54 PHE CD2 C 131.013 0.300 1 553 54 54 PHE CE1 C 131.223 0.300 1 554 54 54 PHE CE2 C 131.223 0.300 1 555 54 54 PHE CZ C 129.637 0.300 1 556 54 54 PHE N N 123.523 0.300 1 557 55 55 VAL H H 8.857 0.030 1 558 55 55 VAL HA H 4.159 0.030 1 559 55 55 VAL HB H 2.205 0.030 1 560 55 55 VAL HG1 H 0.734 0.030 1 561 55 55 VAL HG2 H 0.748 0.030 1 562 55 55 VAL C C 175.222 0.300 1 563 55 55 VAL CA C 62.923 0.300 1 564 55 55 VAL CB C 31.620 0.300 1 565 55 55 VAL CG1 C 23.012 0.300 2 566 55 55 VAL CG2 C 21.532 0.300 2 567 55 55 VAL N N 119.747 0.300 1 568 56 56 VAL H H 8.755 0.030 1 569 56 56 VAL HA H 4.630 0.030 1 570 56 56 VAL HB H 2.158 0.030 1 571 56 56 VAL HG1 H 0.851 0.030 1 572 56 56 VAL HG2 H 0.651 0.030 1 573 56 56 VAL C C 175.422 0.300 1 574 56 56 VAL CA C 60.790 0.300 1 575 56 56 VAL CB C 33.285 0.300 1 576 56 56 VAL CG1 C 21.736 0.300 2 577 56 56 VAL CG2 C 19.933 0.300 2 578 56 56 VAL N N 123.214 0.300 1 579 57 57 GLY H H 7.679 0.030 1 580 57 57 GLY HA2 H 3.707 0.030 2 581 57 57 GLY HA3 H 4.157 0.030 2 582 57 57 GLY C C 170.488 0.300 1 583 57 57 GLY CA C 45.487 0.300 1 584 57 57 GLY N N 109.937 0.300 1 585 58 58 ILE H H 8.381 0.030 1 586 58 58 ILE HA H 4.408 0.030 1 587 58 58 ILE HB H 1.486 0.030 1 588 58 58 ILE HD1 H 0.441 0.030 1 589 58 58 ILE HG12 H 0.587 0.030 2 590 58 58 ILE HG13 H 1.176 0.030 2 591 58 58 ILE HG2 H 0.664 0.030 1 592 58 58 ILE C C 175.056 0.300 1 593 58 58 ILE CA C 60.342 0.300 1 594 58 58 ILE CB C 40.795 0.300 1 595 58 58 ILE CD1 C 13.102 0.300 1 596 58 58 ILE CG1 C 27.995 0.300 1 597 58 58 ILE CG2 C 17.715 0.300 1 598 58 58 ILE N N 122.556 0.300 1 599 59 59 ASN H H 8.398 0.030 1 600 59 59 ASN HA H 4.720 0.030 1 601 59 59 ASN HB2 H 2.711 0.030 2 602 59 59 ASN HB3 H 2.775 0.030 2 603 59 59 ASN HD21 H 7.066 0.030 2 604 59 59 ASN HD22 H 7.819 0.030 2 605 59 59 ASN C C 175.531 0.300 1 606 59 59 ASN CA C 51.635 0.300 1 607 59 59 ASN CB C 38.411 0.300 1 608 59 59 ASN N N 128.411 0.300 1 609 59 59 ASN ND2 N 112.888 0.300 1 610 60 60 PRO HA H 4.222 0.030 1 611 60 60 PRO HB2 H 1.999 0.030 2 612 60 60 PRO HB3 H 2.382 0.030 2 613 60 60 PRO HD2 H 3.835 0.030 2 614 60 60 PRO HD3 H 4.094 0.030 2 615 60 60 PRO HG2 H 2.070 0.030 1 616 60 60 PRO HG3 H 2.070 0.030 1 617 60 60 PRO C C 176.865 0.300 1 618 60 60 PRO CA C 64.812 0.300 1 619 60 60 PRO CB C 32.250 0.300 1 620 60 60 PRO CD C 51.301 0.300 1 621 60 60 PRO CG C 27.324 0.300 1 622 61 61 GLU H H 8.307 0.030 1 623 61 61 GLU HA H 4.456 0.030 1 624 61 61 GLU HB2 H 1.872 0.030 2 625 61 61 GLU HB3 H 2.205 0.030 2 626 61 61 GLU HG2 H 2.204 0.030 1 627 61 61 GLU HG3 H 2.204 0.030 1 628 61 61 GLU C C 176.680 0.300 1 629 61 61 GLU CA C 55.702 0.300 1 630 61 61 GLU CB C 29.796 0.300 1 631 61 61 GLU CG C 36.447 0.300 1 632 61 61 GLU N N 115.191 0.300 1 633 62 62 GLY H H 7.570 0.030 1 634 62 62 GLY HA2 H 3.761 0.030 2 635 62 62 GLY HA3 H 4.640 0.030 2 636 62 62 GLY C C 173.180 0.300 1 637 62 62 GLY CA C 45.547 0.300 1 638 62 62 GLY N N 106.708 0.300 1 639 63 63 PRO HA H 4.329 0.030 1 640 63 63 PRO HB2 H 1.801 0.030 2 641 63 63 PRO HB3 H 2.653 0.030 2 642 63 63 PRO HD2 H 3.159 0.030 2 643 63 63 PRO HD3 H 3.831 0.030 2 644 63 63 PRO HG2 H 2.108 0.030 2 645 63 63 PRO HG3 H 2.508 0.030 2 646 63 63 PRO C C 179.826 0.300 1 647 63 63 PRO CA C 65.115 0.300 1 648 63 63 PRO CB C 33.429 0.300 1 649 63 63 PRO CD C 50.205 0.300 1 650 63 63 PRO CG C 28.612 0.300 1 651 64 64 ALA H H 7.717 0.030 1 652 64 64 ALA HA H 4.114 0.030 1 653 64 64 ALA HB H 1.302 0.030 1 654 64 64 ALA C C 181.269 0.300 1 655 64 64 ALA CA C 55.186 0.300 1 656 64 64 ALA CB C 18.127 0.300 1 657 64 64 ALA N N 119.777 0.300 1 658 65 65 ALA H H 8.592 0.030 1 659 65 65 ALA HA H 3.984 0.030 1 660 65 65 ALA HB H 1.457 0.030 1 661 65 65 ALA C C 179.382 0.300 1 662 65 65 ALA CA C 54.672 0.300 1 663 65 65 ALA CB C 19.386 0.300 1 664 65 65 ALA N N 125.682 0.300 1 665 66 66 ALA H H 7.773 0.030 1 666 66 66 ALA HA H 3.999 0.030 1 667 66 66 ALA HB H 1.426 0.030 1 668 66 66 ALA C C 179.447 0.300 1 669 66 66 ALA CA C 54.697 0.300 1 670 66 66 ALA CB C 17.984 0.300 1 671 66 66 ALA N N 120.679 0.300 1 672 67 67 ASP H H 7.741 0.030 1 673 67 67 ASP HA H 4.384 0.030 1 674 67 67 ASP HB2 H 2.560 0.030 2 675 67 67 ASP HB3 H 2.791 0.030 2 676 67 67 ASP C C 177.827 0.300 1 677 67 67 ASP CA C 56.708 0.300 1 678 67 67 ASP CB C 44.543 0.300 1 679 67 67 ASP N N 116.507 0.300 1 680 68 68 GLY H H 7.389 0.030 1 681 68 68 GLY HA2 H 3.902 0.030 2 682 68 68 GLY HA3 H 4.077 0.030 2 683 68 68 GLY C C 175.025 0.300 1 684 68 68 GLY CA C 46.407 0.300 1 685 68 68 GLY N N 102.836 0.300 1 686 69 69 ARG H H 7.901 0.030 1 687 69 69 ARG HA H 4.271 0.030 1 688 69 69 ARG HB2 H 1.903 0.030 2 689 69 69 ARG HB3 H 2.037 0.030 2 690 69 69 ARG HD2 H 3.186 0.030 2 691 69 69 ARG HD3 H 3.417 0.030 2 692 69 69 ARG HE H 9.053 0.030 1 693 69 69 ARG HG2 H 1.743 0.030 2 694 69 69 ARG HG3 H 1.791 0.030 2 695 69 69 ARG C C 177.789 0.300 1 696 69 69 ARG CA C 59.172 0.300 1 697 69 69 ARG CB C 32.079 0.300 1 698 69 69 ARG CD C 43.791 0.300 1 699 69 69 ARG CG C 27.901 0.300 1 700 69 69 ARG N N 119.229 0.300 1 701 69 69 ARG NE N 86.120 0.300 1 702 70 70 MET H H 8.935 0.030 1 703 70 70 MET HA H 3.739 0.030 1 704 70 70 MET HB2 H 1.460 0.030 2 705 70 70 MET HB3 H 1.533 0.030 2 706 70 70 MET HE H 1.216 0.030 1 707 70 70 MET HG2 H 1.654 0.030 2 708 70 70 MET HG3 H 2.524 0.030 2 709 70 70 MET C C 174.518 0.300 1 710 70 70 MET CA C 57.053 0.300 1 711 70 70 MET CB C 34.462 0.300 1 712 70 70 MET CE C 16.684 0.300 1 713 70 70 MET CG C 32.945 0.300 1 714 70 70 MET N N 118.766 0.300 1 715 71 71 ARG H H 8.948 0.030 1 716 71 71 ARG HA H 4.389 0.030 1 717 71 71 ARG HB2 H 1.496 0.030 2 718 71 71 ARG HB3 H 1.707 0.030 2 719 71 71 ARG HD2 H 2.954 0.030 2 720 71 71 ARG HD3 H 3.105 0.030 2 721 71 71 ARG HG2 H 1.478 0.030 2 722 71 71 ARG HG3 H 1.551 0.030 2 723 71 71 ARG C C 175.174 0.300 1 724 71 71 ARG CA C 54.059 0.300 1 725 71 71 ARG CB C 35.146 0.300 1 726 71 71 ARG CD C 43.867 0.300 1 727 71 71 ARG CG C 26.506 0.300 1 728 71 71 ARG N N 121.058 0.300 1 729 72 72 ILE H H 8.191 0.030 1 730 72 72 ILE HA H 3.527 0.030 1 731 72 72 ILE HB H 1.608 0.030 1 732 72 72 ILE HD1 H 0.788 0.030 1 733 72 72 ILE HG12 H 0.858 0.030 2 734 72 72 ILE HG13 H 1.474 0.030 2 735 72 72 ILE HG2 H 0.834 0.030 1 736 72 72 ILE C C 178.279 0.300 1 737 72 72 ILE CA C 62.880 0.300 1 738 72 72 ILE CB C 37.213 0.300 1 739 72 72 ILE CD1 C 12.624 0.300 1 740 72 72 ILE CG1 C 28.344 0.300 1 741 72 72 ILE CG2 C 17.553 0.300 1 742 72 72 ILE N N 120.347 0.300 1 743 73 73 GLY H H 9.613 0.030 1 744 73 73 GLY HA2 H 3.492 0.030 2 745 73 73 GLY HA3 H 4.359 0.030 2 746 73 73 GLY C C 173.620 0.300 1 747 73 73 GLY CA C 44.395 0.300 1 748 73 73 GLY N N 117.614 0.300 1 749 74 74 ASP H H 7.775 0.030 1 750 74 74 ASP HA H 4.671 0.030 1 751 74 74 ASP HB2 H 1.909 0.030 2 752 74 74 ASP HB3 H 2.298 0.030 2 753 74 74 ASP C C 174.535 0.300 1 754 74 74 ASP CA C 56.447 0.300 1 755 74 74 ASP CB C 41.055 0.300 1 756 74 74 ASP N N 122.679 0.300 1 757 75 75 GLU H H 8.592 0.030 1 758 75 75 GLU HA H 5.391 0.030 1 759 75 75 GLU HB2 H 1.896 0.030 2 760 75 75 GLU HB3 H 2.271 0.030 2 761 75 75 GLU HG2 H 1.798 0.030 2 762 75 75 GLU HG3 H 1.894 0.030 2 763 75 75 GLU C C 176.671 0.300 1 764 75 75 GLU CA C 53.828 0.300 1 765 75 75 GLU CB C 31.067 0.300 1 766 75 75 GLU CG C 35.179 0.300 1 767 75 75 GLU N N 121.913 0.300 1 768 76 76 LEU H H 8.749 0.030 1 769 76 76 LEU HA H 4.240 0.030 1 770 76 76 LEU HB2 H 1.159 0.030 2 771 76 76 LEU HB3 H 1.579 0.030 2 772 76 76 LEU HD1 H 0.709 0.030 1 773 76 76 LEU HD2 H 0.666 0.030 1 774 76 76 LEU HG H 1.527 0.030 1 775 76 76 LEU C C 175.017 0.300 1 776 76 76 LEU CA C 55.762 0.300 1 777 76 76 LEU CB C 42.702 0.300 1 778 76 76 LEU CD1 C 26.218 0.300 2 779 76 76 LEU CD2 C 23.859 0.300 2 780 76 76 LEU CG C 27.466 0.300 1 781 76 76 LEU N N 125.649 0.300 1 782 77 77 LEU H H 8.887 0.030 1 783 77 77 LEU HA H 4.658 0.030 1 784 77 77 LEU HB2 H 1.020 0.030 2 785 77 77 LEU HB3 H 1.070 0.030 2 786 77 77 LEU HD1 H -0.198 0.030 1 787 77 77 LEU HD2 H 0.454 0.030 1 788 77 77 LEU HG H 1.422 0.030 1 789 77 77 LEU C C 177.686 0.300 1 790 77 77 LEU CA C 55.512 0.300 1 791 77 77 LEU CB C 44.332 0.300 1 792 77 77 LEU CD1 C 24.839 0.300 2 793 77 77 LEU CD2 C 22.474 0.300 2 794 77 77 LEU CG C 26.165 0.300 1 795 77 77 LEU N N 118.639 0.300 1 796 78 78 GLU H H 7.802 0.030 1 797 78 78 GLU HA H 5.245 0.030 1 798 78 78 GLU HB2 H 1.805 0.030 2 799 78 78 GLU HB3 H 1.908 0.030 2 800 78 78 GLU HG2 H 2.179 0.030 2 801 78 78 GLU HG3 H 2.511 0.030 2 802 78 78 GLU C C 174.977 0.300 1 803 78 78 GLU CA C 55.561 0.300 1 804 78 78 GLU CB C 34.000 0.300 1 805 78 78 GLU CG C 36.149 0.300 1 806 78 78 GLU N N 115.422 0.300 1 807 79 79 ILE H H 8.296 0.030 1 808 79 79 ILE HA H 4.971 0.030 1 809 79 79 ILE HB H 1.541 0.030 1 810 79 79 ILE HD1 H 0.786 0.030 1 811 79 79 ILE HG12 H 0.997 0.030 2 812 79 79 ILE HG13 H 1.549 0.030 2 813 79 79 ILE HG2 H 0.742 0.030 1 814 79 79 ILE C C 175.593 0.300 1 815 79 79 ILE CA C 59.507 0.300 1 816 79 79 ILE CB C 41.895 0.300 1 817 79 79 ILE CD1 C 14.897 0.300 1 818 79 79 ILE CG1 C 27.149 0.300 1 819 79 79 ILE CG2 C 17.462 0.300 1 820 79 79 ILE N N 119.303 0.300 1 821 80 80 ASN H H 9.835 0.030 1 822 80 80 ASN HA H 4.444 0.030 1 823 80 80 ASN HB2 H 2.536 0.030 2 824 80 80 ASN HB3 H 3.157 0.030 2 825 80 80 ASN HD21 H 7.007 0.030 2 826 80 80 ASN HD22 H 8.086 0.030 2 827 80 80 ASN C C 174.126 0.300 1 828 80 80 ASN CA C 54.500 0.300 1 829 80 80 ASN CB C 37.003 0.300 1 830 80 80 ASN N N 126.047 0.300 1 831 80 80 ASN ND2 N 111.103 0.300 1 832 81 81 ASN H H 9.205 0.030 1 833 81 81 ASN HA H 4.028 0.030 1 834 81 81 ASN HB2 H 2.343 0.030 2 835 81 81 ASN HB3 H 2.838 0.030 2 836 81 81 ASN HD21 H 6.902 0.030 2 837 81 81 ASN HD22 H 7.369 0.030 2 838 81 81 ASN C C 173.247 0.300 1 839 81 81 ASN CA C 54.215 0.300 1 840 81 81 ASN CB C 36.677 0.300 1 841 81 81 ASN ND2 N 113.673 0.300 1 842 82 82 GLN H H 8.111 0.030 1 843 82 82 GLN HA H 4.461 0.030 1 844 82 82 GLN HB2 H 1.965 0.030 2 845 82 82 GLN HB3 H 2.229 0.030 2 846 82 82 GLN HE21 H 6.878 0.030 2 847 82 82 GLN HE22 H 7.314 0.030 2 848 82 82 GLN HG2 H 2.290 0.030 1 849 82 82 GLN HG3 H 2.290 0.030 1 850 82 82 GLN C C 175.174 0.300 1 851 82 82 GLN CA C 54.443 0.300 1 852 82 82 GLN CB C 29.327 0.300 1 853 82 82 GLN CG C 33.844 0.300 1 854 82 82 GLN NE2 N 112.352 0.300 1 855 83 83 ILE H H 8.758 0.030 1 856 83 83 ILE HA H 3.971 0.030 1 857 83 83 ILE HB H 1.926 0.030 1 858 83 83 ILE HD1 H 0.897 0.030 1 859 83 83 ILE HG12 H 1.283 0.030 2 860 83 83 ILE HG13 H 1.724 0.030 2 861 83 83 ILE HG2 H 1.217 0.030 1 862 83 83 ILE C C 176.918 0.300 1 863 83 83 ILE CA C 63.519 0.300 1 864 83 83 ILE CB C 38.054 0.300 1 865 83 83 ILE CD1 C 13.030 0.300 1 866 83 83 ILE CG1 C 28.012 0.300 1 867 83 83 ILE CG2 C 18.103 0.300 1 868 83 83 ILE N N 124.726 0.300 1 869 84 84 LEU H H 8.498 0.030 1 870 84 84 LEU HA H 4.199 0.030 1 871 84 84 LEU HB2 H 1.383 0.030 2 872 84 84 LEU HB3 H 1.538 0.030 2 873 84 84 LEU HD1 H 0.688 0.030 1 874 84 84 LEU HD2 H 0.662 0.030 1 875 84 84 LEU HG H 1.608 0.030 1 876 84 84 LEU C C 175.719 0.300 1 877 84 84 LEU CA C 54.380 0.300 1 878 84 84 LEU CB C 42.156 0.300 1 879 84 84 LEU CD1 C 25.269 0.300 2 880 84 84 LEU CD2 C 22.643 0.300 2 881 84 84 LEU CG C 27.070 0.300 1 882 84 84 LEU N N 128.126 0.300 1 883 85 85 TYR H H 7.499 0.030 1 884 85 85 TYR HA H 4.396 0.030 1 885 85 85 TYR HB2 H 2.959 0.030 2 886 85 85 TYR HB3 H 3.189 0.030 2 887 85 85 TYR HD1 H 7.226 0.030 1 888 85 85 TYR HD2 H 7.226 0.030 1 889 85 85 TYR HE1 H 6.947 0.030 1 890 85 85 TYR HE2 H 6.947 0.030 1 891 85 85 TYR C C 176.388 0.300 1 892 85 85 TYR CA C 59.895 0.300 1 893 85 85 TYR CB C 38.597 0.300 1 894 85 85 TYR CD1 C 133.221 0.300 1 895 85 85 TYR CD2 C 133.221 0.300 1 896 85 85 TYR CE1 C 118.158 0.300 1 897 85 85 TYR CE2 C 118.158 0.300 1 898 85 85 TYR N N 120.338 0.300 1 899 86 86 GLY H H 9.037 0.030 1 900 86 86 GLY HA2 H 3.345 0.030 2 901 86 86 GLY HA3 H 4.145 0.030 2 902 86 86 GLY C C 173.796 0.300 1 903 86 86 GLY CA C 45.037 0.300 1 904 86 86 GLY N N 117.938 0.300 1 905 87 87 ARG H H 8.406 0.030 1 906 87 87 ARG HA H 4.616 0.030 1 907 87 87 ARG HB2 H 1.961 0.030 1 908 87 87 ARG HB3 H 1.961 0.030 1 909 87 87 ARG HD2 H 3.079 0.030 2 910 87 87 ARG HD3 H 3.132 0.030 2 911 87 87 ARG HG2 H 1.569 0.030 1 912 87 87 ARG HG3 H 1.569 0.030 1 913 87 87 ARG C C 174.754 0.300 1 914 87 87 ARG CA C 54.401 0.300 1 915 87 87 ARG CB C 31.577 0.300 1 916 87 87 ARG CD C 43.477 0.300 1 917 87 87 ARG CG C 27.485 0.300 1 918 87 87 ARG N N 120.512 0.300 1 919 88 88 SER H H 8.174 0.030 1 920 88 88 SER HA H 4.744 0.030 1 921 88 88 SER HB2 H 3.921 0.030 2 922 88 88 SER HB3 H 4.265 0.030 2 923 88 88 SER C C 177.024 0.300 1 924 88 88 SER CA C 57.250 0.300 1 925 88 88 SER CB C 66.273 0.300 1 926 88 88 SER N N 112.721 0.300 1 927 89 89 HIS H H 9.232 0.030 1 928 89 89 HIS HA H 4.198 0.030 1 929 89 89 HIS HB2 H 2.904 0.030 2 930 89 89 HIS HB3 H 3.043 0.030 2 931 89 89 HIS HD2 H 7.229 0.030 1 932 89 89 HIS HE1 H 7.763 0.030 1 933 89 89 HIS C C 177.085 0.300 1 934 89 89 HIS CA C 59.131 0.300 1 935 89 89 HIS CB C 29.911 0.300 1 936 89 89 HIS CD2 C 119.385 0.300 1 937 89 89 HIS CE1 C 138.766 0.300 1 938 89 89 HIS N N 119.757 0.300 1 939 90 90 GLN H H 8.044 0.030 1 940 90 90 GLN HA H 3.988 0.030 1 941 90 90 GLN HB2 H 1.791 0.030 2 942 90 90 GLN HB3 H 1.884 0.030 2 943 90 90 GLN HE21 H 6.571 0.030 2 944 90 90 GLN HE22 H 7.426 0.030 2 945 90 90 GLN HG2 H 2.057 0.030 2 946 90 90 GLN HG3 H 2.440 0.030 2 947 90 90 GLN C C 179.271 0.300 1 948 90 90 GLN CA C 59.791 0.300 1 949 90 90 GLN CB C 27.091 0.300 1 950 90 90 GLN CG C 33.815 0.300 1 951 90 90 GLN N N 121.964 0.300 1 952 90 90 GLN NE2 N 110.250 0.300 1 953 91 91 ASN H H 7.827 0.030 1 954 91 91 ASN HA H 4.462 0.030 1 955 91 91 ASN HB2 H 2.826 0.030 2 956 91 91 ASN HB3 H 2.943 0.030 2 957 91 91 ASN HD21 H 7.140 0.030 2 958 91 91 ASN HD22 H 7.653 0.030 2 959 91 91 ASN C C 177.198 0.300 1 960 91 91 ASN CA C 55.977 0.300 1 961 91 91 ASN CB C 38.899 0.300 1 962 91 91 ASN N N 119.759 0.300 1 963 91 91 ASN ND2 N 112.579 0.300 1 964 92 92 ALA H H 7.956 0.030 1 965 92 92 ALA HA H 3.895 0.030 1 966 92 92 ALA HB H 1.450 0.030 1 967 92 92 ALA C C 178.564 0.300 1 968 92 92 ALA CA C 55.305 0.300 1 969 92 92 ALA CB C 18.799 0.300 1 970 92 92 ALA N N 121.224 0.300 1 971 93 93 SER H H 8.450 0.030 1 972 93 93 SER HA H 4.036 0.030 1 973 93 93 SER HB2 H 3.985 0.030 1 974 93 93 SER HB3 H 3.985 0.030 1 975 93 93 SER C C 176.554 0.300 1 976 93 93 SER CA C 62.619 0.300 1 977 93 93 SER CB C 62.569 0.300 1 978 93 93 SER N N 113.655 0.300 1 979 94 94 ALA H H 7.634 0.030 1 980 94 94 ALA HA H 4.173 0.030 1 981 94 94 ALA HB H 1.543 0.030 1 982 94 94 ALA C C 179.996 0.300 1 983 94 94 ALA CA C 55.260 0.300 1 984 94 94 ALA CB C 18.019 0.300 1 985 94 94 ALA N N 124.669 0.300 1 986 95 95 ILE H H 7.805 0.030 1 987 95 95 ILE HA H 3.691 0.030 1 988 95 95 ILE HB H 1.901 0.030 1 989 95 95 ILE HD1 H 0.701 0.030 1 990 95 95 ILE HG12 H 1.128 0.030 2 991 95 95 ILE HG13 H 1.712 0.030 2 992 95 95 ILE HG2 H 0.816 0.030 1 993 95 95 ILE C C 178.935 0.300 1 994 95 95 ILE CA C 64.390 0.300 1 995 95 95 ILE CB C 37.807 0.300 1 996 95 95 ILE CD1 C 13.529 0.300 1 997 95 95 ILE CG1 C 29.174 0.300 1 998 95 95 ILE CG2 C 17.165 0.300 1 999 95 95 ILE N N 120.084 0.300 1 1000 96 96 ILE H H 8.133 0.030 1 1001 96 96 ILE HA H 3.369 0.030 1 1002 96 96 ILE HB H 1.983 0.030 1 1003 96 96 ILE HD1 H 0.795 0.030 1 1004 96 96 ILE HG12 H 0.718 0.030 2 1005 96 96 ILE HG13 H 1.975 0.030 2 1006 96 96 ILE HG2 H 0.945 0.030 1 1007 96 96 ILE C C 177.995 0.300 1 1008 96 96 ILE CA C 66.311 0.300 1 1009 96 96 ILE CB C 38.219 0.300 1 1010 96 96 ILE CD1 C 13.401 0.300 1 1011 96 96 ILE CG1 C 30.937 0.300 1 1012 96 96 ILE CG2 C 18.072 0.300 1 1013 96 96 ILE N N 119.342 0.300 1 1014 97 97 LYS H H 7.928 0.030 1 1015 97 97 LYS HA H 4.047 0.030 1 1016 97 97 LYS HB2 H 2.027 0.030 1 1017 97 97 LYS HB3 H 2.027 0.030 1 1018 97 97 LYS HD2 H 1.723 0.030 1 1019 97 97 LYS HD3 H 1.723 0.030 1 1020 97 97 LYS HE2 H 3.009 0.030 1 1021 97 97 LYS HE3 H 3.009 0.030 1 1022 97 97 LYS HG2 H 1.486 0.030 2 1023 97 97 LYS HG3 H 1.599 0.030 2 1024 97 97 LYS C C 177.928 0.300 1 1025 97 97 LYS CA C 59.779 0.300 1 1026 97 97 LYS CB C 32.550 0.300 1 1027 97 97 LYS CD C 29.200 0.300 1 1028 97 97 LYS CE C 42.157 0.300 1 1029 97 97 LYS CG C 25.232 0.300 1 1030 97 97 LYS N N 119.347 0.300 1 1031 98 98 THR H H 7.510 0.030 1 1032 98 98 THR HA H 4.282 0.030 1 1033 98 98 THR HB H 4.427 0.030 1 1034 98 98 THR HG2 H 1.273 0.030 1 1035 98 98 THR C C 174.529 0.300 1 1036 98 98 THR CA C 61.875 0.300 1 1037 98 98 THR CB C 69.502 0.300 1 1038 98 98 THR CG2 C 21.940 0.300 1 1039 98 98 THR N N 106.349 0.300 1 1040 99 99 ALA H H 7.289 0.030 1 1041 99 99 ALA HA H 4.486 0.030 1 1042 99 99 ALA HB H 1.440 0.030 1 1043 99 99 ALA C C 175.152 0.300 1 1044 99 99 ALA CA C 51.291 0.300 1 1045 99 99 ALA CB C 17.675 0.300 1 1046 99 99 ALA N N 125.703 0.300 1 1047 100 100 PRO HA H 4.572 0.030 1 1048 100 100 PRO HB2 H 2.169 0.030 2 1049 100 100 PRO HB3 H 2.402 0.030 2 1050 100 100 PRO HD2 H 3.471 0.030 2 1051 100 100 PRO HD3 H 3.832 0.030 2 1052 100 100 PRO HG2 H 2.062 0.030 1 1053 100 100 PRO HG3 H 2.062 0.030 1 1054 100 100 PRO C C 173.948 0.300 1 1055 100 100 PRO CA C 62.755 0.300 1 1056 100 100 PRO CB C 31.969 0.300 1 1057 100 100 PRO CD C 50.342 0.300 1 1058 100 100 PRO CG C 27.152 0.300 1 1059 101 101 SER H H 8.011 0.030 1 1060 101 101 SER HA H 3.936 0.030 1 1061 101 101 SER HB2 H 3.923 0.030 1 1062 101 101 SER HB3 H 3.923 0.030 1 1063 101 101 SER C C 173.812 0.300 1 1064 101 101 SER CA C 62.096 0.300 1 1065 101 101 SER CB C 63.204 0.300 1 1066 101 101 SER N N 110.006 0.300 1 1067 102 102 LYS H H 7.459 0.030 1 1068 102 102 LYS HA H 4.672 0.030 1 1069 102 102 LYS HB2 H 1.679 0.030 1 1070 102 102 LYS HB3 H 1.679 0.030 1 1071 102 102 LYS HD2 H 1.593 0.030 2 1072 102 102 LYS HD3 H 1.630 0.030 2 1073 102 102 LYS HE2 H 2.904 0.030 1 1074 102 102 LYS HE3 H 2.904 0.030 1 1075 102 102 LYS HG2 H 1.206 0.030 2 1076 102 102 LYS HG3 H 1.298 0.030 2 1077 102 102 LYS C C 175.494 0.300 1 1078 102 102 LYS CA C 55.823 0.300 1 1079 102 102 LYS CB C 32.402 0.300 1 1080 102 102 LYS CD C 29.008 0.300 1 1081 102 102 LYS CE C 41.765 0.300 1 1082 102 102 LYS CG C 25.062 0.300 1 1083 102 102 LYS N N 118.115 0.300 1 1084 103 103 VAL H H 9.140 0.030 1 1085 103 103 VAL HA H 4.477 0.030 1 1086 103 103 VAL HB H 2.005 0.030 1 1087 103 103 VAL HG1 H 0.823 0.030 1 1088 103 103 VAL HG2 H 0.948 0.030 1 1089 103 103 VAL C C 173.821 0.300 1 1090 103 103 VAL CA C 60.695 0.300 1 1091 103 103 VAL CB C 34.130 0.300 1 1092 103 103 VAL CG1 C 22.867 0.300 2 1093 103 103 VAL CG2 C 22.008 0.300 2 1094 103 103 VAL N N 125.945 0.300 1 1095 104 104 LYS H H 8.675 0.030 1 1096 104 104 LYS HA H 5.000 0.030 1 1097 104 104 LYS HB2 H 1.812 0.030 1 1098 104 104 LYS HB3 H 1.812 0.030 1 1099 104 104 LYS HD2 H 1.639 0.030 1 1100 104 104 LYS HD3 H 1.639 0.030 1 1101 104 104 LYS HE2 H 2.781 0.030 2 1102 104 104 LYS HE3 H 2.857 0.030 2 1103 104 104 LYS HG2 H 1.126 0.030 2 1104 104 104 LYS HG3 H 1.347 0.030 2 1105 104 104 LYS C C 175.607 0.300 1 1106 104 104 LYS CA C 55.302 0.300 1 1107 104 104 LYS CB C 34.022 0.300 1 1108 104 104 LYS CD C 29.883 0.300 1 1109 104 104 LYS CE C 42.107 0.300 1 1110 104 104 LYS CG C 25.095 0.300 1 1111 104 104 LYS N N 128.171 0.300 1 1112 105 105 LEU H H 9.596 0.030 1 1113 105 105 LEU HA H 5.155 0.030 1 1114 105 105 LEU HB2 H 1.711 0.030 2 1115 105 105 LEU HB3 H 1.417 0.030 2 1116 105 105 LEU HD1 H 0.852 0.030 1 1117 105 105 LEU HD2 H 0.803 0.030 1 1118 105 105 LEU HG H 1.612 0.030 1 1119 105 105 LEU C C 174.170 0.300 1 1120 105 105 LEU CA C 54.301 0.300 1 1121 105 105 LEU CB C 46.019 0.300 1 1122 105 105 LEU CD1 C 26.566 0.300 2 1123 105 105 LEU CD2 C 25.931 0.300 2 1124 105 105 LEU CG C 27.262 0.300 1 1125 105 105 LEU N N 128.706 0.300 1 1126 106 106 VAL H H 8.495 0.030 1 1127 106 106 VAL HA H 5.074 0.030 1 1128 106 106 VAL HB H 1.893 0.030 1 1129 106 106 VAL HG1 H 0.789 0.030 1 1130 106 106 VAL HG2 H 1.073 0.030 1 1131 106 106 VAL C C 175.736 0.300 1 1132 106 106 VAL CA C 60.374 0.300 1 1133 106 106 VAL CB C 33.511 0.300 1 1134 106 106 VAL CG1 C 21.426 0.300 2 1135 106 106 VAL CG2 C 21.639 0.300 2 1136 106 106 VAL N N 121.464 0.300 1 1137 107 107 PHE H H 9.192 0.030 1 1138 107 107 PHE HA H 5.596 0.030 1 1139 107 107 PHE HB2 H 2.664 0.030 2 1140 107 107 PHE HB3 H 2.967 0.030 2 1141 107 107 PHE HD1 H 6.637 0.030 1 1142 107 107 PHE HD2 H 6.637 0.030 1 1143 107 107 PHE HE1 H 6.869 0.030 1 1144 107 107 PHE HE2 H 6.869 0.030 1 1145 107 107 PHE HZ H 6.594 0.030 1 1146 107 107 PHE C C 170.707 0.300 1 1147 107 107 PHE CA C 55.049 0.300 1 1148 107 107 PHE CB C 43.244 0.300 1 1149 107 107 PHE CD1 C 131.069 0.300 1 1150 107 107 PHE CD2 C 131.069 0.300 1 1151 107 107 PHE CE1 C 132.107 0.300 1 1152 107 107 PHE CE2 C 132.107 0.300 1 1153 107 107 PHE CZ C 129.158 0.300 1 1154 107 107 PHE N N 124.669 0.300 1 1155 108 108 ILE H H 9.582 0.030 1 1156 108 108 ILE HA H 5.420 0.030 1 1157 108 108 ILE HB H 1.446 0.030 1 1158 108 108 ILE HD1 H 0.604 0.030 1 1159 108 108 ILE HG12 H 0.958 0.030 2 1160 108 108 ILE HG13 H 1.197 0.030 2 1161 108 108 ILE HG2 H 1.018 0.030 1 1162 108 108 ILE C C 173.760 0.300 1 1163 108 108 ILE CA C 57.741 0.300 1 1164 108 108 ILE CB C 43.531 0.300 1 1165 108 108 ILE CD1 C 15.750 0.300 1 1166 108 108 ILE CG1 C 29.458 0.300 1 1167 108 108 ILE CG2 C 17.139 0.300 1 1168 108 108 ILE N N 118.778 0.300 1 1169 109 109 ARG H H 9.360 0.030 1 1170 109 109 ARG HA H 4.868 0.030 1 1171 109 109 ARG HB2 H 1.891 0.030 2 1172 109 109 ARG HB3 H 2.182 0.030 2 1173 109 109 ARG HD2 H 3.171 0.030 2 1174 109 109 ARG HD3 H 3.297 0.030 2 1175 109 109 ARG HE H 9.597 0.030 1 1176 109 109 ARG HG2 H 1.615 0.030 2 1177 109 109 ARG HG3 H 1.643 0.030 2 1178 109 109 ARG C C 173.991 0.300 1 1179 109 109 ARG CA C 55.582 0.300 1 1180 109 109 ARG CB C 33.140 0.300 1 1181 109 109 ARG CD C 43.164 0.300 1 1182 109 109 ARG CG C 25.499 0.300 1 1183 109 109 ARG N N 132.624 0.300 1 1184 109 109 ARG NE N 84.179 0.300 1 1185 110 110 ASN H H 9.121 0.030 1 1186 110 110 ASN HA H 5.159 0.030 1 1187 110 110 ASN HB2 H 2.770 0.030 2 1188 110 110 ASN HB3 H 2.959 0.030 2 1189 110 110 ASN HD21 H 7.291 0.030 2 1190 110 110 ASN HD22 H 7.888 0.030 2 1191 110 110 ASN C C 176.115 0.300 1 1192 110 110 ASN CA C 51.960 0.300 1 1193 110 110 ASN CB C 41.222 0.300 1 1194 110 110 ASN N N 128.808 0.300 1 1195 110 110 ASN ND2 N 113.693 0.300 1 1196 111 111 GLU H H 9.431 0.030 1 1197 111 111 GLU HA H 4.150 0.030 1 1198 111 111 GLU HB2 H 2.100 0.030 1 1199 111 111 GLU HB3 H 2.100 0.030 1 1200 111 111 GLU HG2 H 2.354 0.030 1 1201 111 111 GLU HG3 H 2.354 0.030 1 1202 111 111 GLU C C 177.045 0.300 1 1203 111 111 GLU CA C 59.311 0.300 1 1204 111 111 GLU CB C 29.522 0.300 1 1205 111 111 GLU CG C 36.192 0.300 1 1206 111 111 GLU N N 127.972 0.300 1 1207 112 112 ASP H H 8.244 0.030 1 1208 112 112 ASP HA H 4.612 0.030 1 1209 112 112 ASP HB2 H 2.620 0.030 1 1210 112 112 ASP HB3 H 2.620 0.030 1 1211 112 112 ASP C C 177.316 0.300 1 1212 112 112 ASP CA C 55.143 0.300 1 1213 112 112 ASP CB C 41.695 0.300 1 1214 112 112 ASP N N 117.194 0.300 1 1215 113 113 ALA H H 7.876 0.030 1 1216 113 113 ALA HA H 3.865 0.030 1 1217 113 113 ALA HB H 1.631 0.030 1 1218 113 113 ALA C C 179.530 0.300 1 1219 113 113 ALA CA C 55.361 0.300 1 1220 113 113 ALA CB C 20.367 0.300 1 1221 113 113 ALA N N 122.830 0.300 1 1222 114 114 VAL H H 7.342 0.030 1 1223 114 114 VAL HA H 3.863 0.030 1 1224 114 114 VAL HB H 2.137 0.030 1 1225 114 114 VAL HG1 H 0.931 0.030 1 1226 114 114 VAL HG2 H 0.934 0.030 1 1227 114 114 VAL C C 177.131 0.300 1 1228 114 114 VAL CA C 64.294 0.300 1 1229 114 114 VAL CB C 31.390 0.300 1 1230 114 114 VAL CG1 C 20.827 0.300 2 1231 114 114 VAL CG2 C 19.963 0.300 2 1232 114 114 VAL N N 111.472 0.300 1 1233 115 115 ASN H H 7.742 0.030 1 1234 115 115 ASN HA H 4.691 0.030 1 1235 115 115 ASN HB2 H 2.777 0.030 2 1236 115 115 ASN HB3 H 2.882 0.030 2 1237 115 115 ASN HD21 H 7.019 0.030 2 1238 115 115 ASN HD22 H 7.906 0.030 2 1239 115 115 ASN C C 175.396 0.300 1 1240 115 115 ASN CA C 54.020 0.300 1 1241 115 115 ASN CB C 38.970 0.300 1 1242 115 115 ASN N N 117.180 0.300 1 1243 115 115 ASN ND2 N 115.064 0.300 1 1244 116 116 GLN H H 7.737 0.030 1 1245 116 116 GLN HA H 4.356 0.030 1 1246 116 116 GLN HB2 H 1.860 0.030 2 1247 116 116 GLN HB3 H 2.417 0.030 2 1248 116 116 GLN HE21 H 6.817 0.030 2 1249 116 116 GLN HE22 H 7.514 0.030 2 1250 116 116 GLN HG2 H 2.414 0.030 1 1251 116 116 GLN HG3 H 2.414 0.030 1 1252 116 116 GLN C C 175.411 0.300 1 1253 116 116 GLN CA C 55.663 0.300 1 1254 116 116 GLN CB C 30.096 0.300 1 1255 116 116 GLN CG C 33.213 0.300 1 1256 116 116 GLN N N 118.000 0.300 1 1257 116 116 GLN NE2 N 111.838 0.300 1 1258 117 117 MET H H 7.178 0.030 1 1259 117 117 MET HA H 4.194 0.030 1 1260 117 117 MET HB2 H 1.364 0.030 2 1261 117 117 MET HB3 H 1.708 0.030 2 1262 117 117 MET HE H 1.963 0.030 1 1263 117 117 MET HG2 H 1.975 0.030 2 1264 117 117 MET HG3 H 2.215 0.030 2 1265 117 117 MET C C 175.618 0.300 1 1266 117 117 MET CA C 56.074 0.300 1 1267 117 117 MET CB C 33.469 0.300 1 1268 117 117 MET CE C 16.809 0.300 1 1269 117 117 MET CG C 30.452 0.300 1 1270 117 117 MET N N 117.890 0.300 1 1271 118 118 ALA H H 8.457 0.030 1 1272 118 118 ALA HA H 4.242 0.030 1 1273 118 118 ALA HB H 1.224 0.030 1 1274 118 118 ALA C C 176.375 0.300 1 1275 118 118 ALA CA C 51.982 0.300 1 1276 118 118 ALA CB C 18.746 0.300 1 1277 118 118 ALA N N 125.453 0.300 1 1278 119 119 SER H H 7.974 0.030 1 1279 119 119 SER HA H 4.402 0.030 1 1280 119 119 SER HB2 H 3.786 0.030 2 1281 119 119 SER HB3 H 3.865 0.030 2 1282 119 119 SER C C 174.622 0.300 1 1283 119 119 SER CA C 57.950 0.300 1 1284 119 119 SER CB C 64.159 0.300 1 1285 119 119 SER N N 113.792 0.300 1 1286 120 120 GLY H H 8.228 0.030 1 1287 120 120 GLY HA2 H 4.061 0.030 2 1288 120 120 GLY HA3 H 4.138 0.030 2 1289 120 120 GLY C C 171.822 0.300 1 1290 120 120 GLY CA C 44.807 0.300 1 1291 120 120 GLY N N 109.809 0.300 1 1292 121 121 PRO HA H 4.514 0.030 1 1293 121 121 PRO HB2 H 1.989 0.030 2 1294 121 121 PRO HB3 H 2.265 0.030 2 1295 121 121 PRO HD2 H 3.631 0.030 1 1296 121 121 PRO HD3 H 3.631 0.030 1 1297 121 121 PRO HG2 H 2.015 0.030 1 1298 121 121 PRO HG3 H 2.015 0.030 1 1299 121 121 PRO CA C 63.218 0.300 1 1300 121 121 PRO CB C 32.420 0.300 1 1301 121 121 PRO CD C 49.796 0.300 1 1302 121 121 PRO CG C 27.066 0.300 1 stop_ save_