data_11398 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of PDZ domain in protein XP_110852 ; _BMRB_accession_number 11398 _BMRB_flat_file_name bmr11398.str _Entry_type original _Submission_date 2010-09-09 _Accession_date 2010-09-09 _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 He F. . . 2 Hanaki K. . . 3 Muto Y. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Shirouzu M. . . 7 Terada T. . . 8 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" 694 "13C chemical shifts" 501 "15N chemical shifts" 131 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-09-08 original author . stop_ _Original_release_date 2011-09-08 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of PDZ domain in protein XP_110852' _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 He F. . . 2 Hanaki K. . . 3 Muto Y. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Shirouzu M. . . 7 Terada T. . . 8 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 'HYPOTHETICAL PROTEIN (RIKEN cDNA 2810455B10)' _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 127 _Mol_residue_sequence ; GSSGSSGLKGEPDCYALSLE SSEQLTLEIPLNDSGSAGLG VSLKGNKSRETGTDLGIFIK SIIHGGAAFKDGRLRMNDQL IAVNGETLLGKSNHEAMETL RRSMSMEGNIRGMIQLVILR RSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 LEU 9 LYS 10 GLY 11 GLU 12 PRO 13 ASP 14 CYS 15 TYR 16 ALA 17 LEU 18 SER 19 LEU 20 GLU 21 SER 22 SER 23 GLU 24 GLN 25 LEU 26 THR 27 LEU 28 GLU 29 ILE 30 PRO 31 LEU 32 ASN 33 ASP 34 SER 35 GLY 36 SER 37 ALA 38 GLY 39 LEU 40 GLY 41 VAL 42 SER 43 LEU 44 LYS 45 GLY 46 ASN 47 LYS 48 SER 49 ARG 50 GLU 51 THR 52 GLY 53 THR 54 ASP 55 LEU 56 GLY 57 ILE 58 PHE 59 ILE 60 LYS 61 SER 62 ILE 63 ILE 64 HIS 65 GLY 66 GLY 67 ALA 68 ALA 69 PHE 70 LYS 71 ASP 72 GLY 73 ARG 74 LEU 75 ARG 76 MET 77 ASN 78 ASP 79 GLN 80 LEU 81 ILE 82 ALA 83 VAL 84 ASN 85 GLY 86 GLU 87 THR 88 LEU 89 LEU 90 GLY 91 LYS 92 SER 93 ASN 94 HIS 95 GLU 96 ALA 97 MET 98 GLU 99 THR 100 LEU 101 ARG 102 ARG 103 SER 104 MET 105 SER 106 MET 107 GLU 108 GLY 109 ASN 110 ILE 111 ARG 112 GLY 113 MET 114 ILE 115 GLN 116 LEU 117 VAL 118 ILE 119 LEU 120 ARG 121 ARG 122 SER 123 GLY 124 PRO 125 SER 126 SER 127 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 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 1WG6 "Solution Structure Of Pdz Domain In Protein Xp_110852" 100.00 127 100.00 100.00 1.55e-82 GB EDL98917 "similar to amyotrophic lateral sclerosis 2 (juvenile) chromosome region, candidate 19 isoform b [Rattus norvegicus]" 89.76 426 100.00 100.00 2.21e-71 GB EGW06143 "Partitioning defective 3-like B [Cricetulus griseus]" 89.76 354 97.37 99.12 5.18e-71 GB ERE85499 "putative partitioning defective 3 [Cricetulus griseus]" 89.76 511 97.37 99.12 3.33e-69 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 'house 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' 'E. coli' Escherichia coli . plasmid P030407-A03 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 0.8mM {U-15,13C;} 20mM phosphate buffer {NA;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.8 mM '[U-13C; U-15N]' 'phosphate buffer NA' 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20020425 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 0.863 loop_ _Vendor _Address _Electronic_address 'Kobayashi N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 1.0.8 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 Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 6.0 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XWINNMR $NMRPipe $NMRView $Kujira $CYANA stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name '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 4.519 0.030 1 2 6 6 SER HB2 H 3.997 0.030 1 3 6 6 SER HB3 H 3.997 0.030 1 4 6 6 SER C C 175.048 0.300 1 5 6 6 SER CA C 58.778 0.300 1 6 6 6 SER CB C 63.969 0.300 1 7 7 7 GLY H H 8.421 0.030 1 8 7 7 GLY HA2 H 3.992 0.030 1 9 7 7 GLY HA3 H 3.992 0.030 1 10 7 7 GLY C C 174.099 0.300 1 11 7 7 GLY CA C 45.430 0.300 1 12 7 7 GLY N N 110.619 0.300 1 13 8 8 LEU H H 8.112 0.030 1 14 8 8 LEU HA H 4.342 0.030 1 15 8 8 LEU HB2 H 1.679 0.030 2 16 8 8 LEU HB3 H 1.620 0.030 2 17 8 8 LEU HD1 H 0.944 0.030 1 18 8 8 LEU HD2 H 0.872 0.030 1 19 8 8 LEU HG H 1.551 0.030 1 20 8 8 LEU C C 177.483 0.300 1 21 8 8 LEU CA C 55.238 0.300 1 22 8 8 LEU CB C 42.483 0.300 1 23 8 8 LEU CD1 C 25.116 0.300 2 24 8 8 LEU CD2 C 23.387 0.300 2 25 8 8 LEU CG C 27.010 0.300 1 26 8 8 LEU N N 121.728 0.300 1 27 9 9 LYS H H 8.402 0.030 1 28 9 9 LYS HA H 4.361 0.030 1 29 9 9 LYS HB2 H 1.802 0.030 2 30 9 9 LYS HB3 H 1.890 0.030 2 31 9 9 LYS HD2 H 1.706 0.030 1 32 9 9 LYS HD3 H 1.706 0.030 1 33 9 9 LYS HE2 H 3.000 0.030 1 34 9 9 LYS HE3 H 3.000 0.030 1 35 9 9 LYS HG2 H 1.487 0.030 2 36 9 9 LYS HG3 H 1.447 0.030 2 37 9 9 LYS C C 176.895 0.300 1 38 9 9 LYS CA C 56.450 0.300 1 39 9 9 LYS CB C 32.990 0.300 1 40 9 9 LYS CD C 29.106 0.300 1 41 9 9 LYS CE C 42.123 0.300 1 42 9 9 LYS CG C 24.767 0.300 1 43 9 9 LYS N N 122.050 0.300 1 44 10 10 GLY H H 8.355 0.030 1 45 10 10 GLY HA2 H 3.955 0.030 2 46 10 10 GLY HA3 H 3.888 0.030 2 47 10 10 GLY C C 173.708 0.300 1 48 10 10 GLY CA C 45.094 0.300 1 49 10 10 GLY N N 110.029 0.300 1 50 11 11 GLU H H 8.229 0.030 1 51 11 11 GLU HA H 4.634 0.030 1 52 11 11 GLU HB2 H 2.091 0.030 2 53 11 11 GLU HB3 H 1.920 0.030 2 54 11 11 GLU HG2 H 2.298 0.030 2 55 11 11 GLU HG3 H 2.274 0.030 2 56 11 11 GLU C C 174.736 0.300 1 57 11 11 GLU CA C 54.456 0.300 1 58 11 11 GLU CB C 29.763 0.300 1 59 11 11 GLU CG C 35.994 0.300 1 60 11 11 GLU N N 121.537 0.300 1 61 12 12 PRO HA H 4.420 0.030 1 62 12 12 PRO HB2 H 1.932 0.030 2 63 12 12 PRO HB3 H 2.294 0.030 2 64 12 12 PRO HD2 H 3.816 0.030 2 65 12 12 PRO HD3 H 3.719 0.030 2 66 12 12 PRO HG2 H 2.020 0.030 1 67 12 12 PRO HG3 H 2.020 0.030 1 68 12 12 PRO C C 176.664 0.300 1 69 12 12 PRO CA C 63.367 0.300 1 70 12 12 PRO CB C 32.201 0.300 1 71 12 12 PRO CD C 50.645 0.300 1 72 12 12 PRO CG C 27.466 0.300 1 73 13 13 ASP H H 8.426 0.030 1 74 13 13 ASP HA H 4.590 0.030 1 75 13 13 ASP HB2 H 2.688 0.030 1 76 13 13 ASP HB3 H 2.688 0.030 1 77 13 13 ASP C C 176.381 0.300 1 78 13 13 ASP CA C 54.409 0.300 1 79 13 13 ASP CB C 41.196 0.300 1 80 13 13 ASP N N 120.101 0.300 1 81 14 14 CYS H H 8.207 0.030 1 82 14 14 CYS HA H 4.430 0.030 1 83 14 14 CYS HB2 H 2.852 0.030 2 84 14 14 CYS HB3 H 2.893 0.030 2 85 14 14 CYS C C 174.607 0.300 1 86 14 14 CYS CA C 58.895 0.300 1 87 14 14 CYS CB C 27.915 0.300 1 88 14 14 CYS N N 118.680 0.300 1 89 15 15 TYR H H 8.240 0.030 1 90 15 15 TYR HA H 4.554 0.030 1 91 15 15 TYR HB2 H 3.120 0.030 2 92 15 15 TYR HB3 H 2.982 0.030 2 93 15 15 TYR HD1 H 7.138 0.030 1 94 15 15 TYR HD2 H 7.138 0.030 1 95 15 15 TYR HE1 H 6.824 0.030 1 96 15 15 TYR HE2 H 6.824 0.030 1 97 15 15 TYR C C 175.820 0.300 1 98 15 15 TYR CA C 58.393 0.300 1 99 15 15 TYR CB C 38.498 0.300 1 100 15 15 TYR CD1 C 133.220 0.300 3 101 15 15 TYR CD2 C 133.220 0.300 3 102 15 15 TYR CE1 C 118.339 0.300 3 103 15 15 TYR CE2 C 118.339 0.300 3 104 15 15 TYR N N 122.482 0.300 1 105 16 16 ALA H H 8.099 0.030 1 106 16 16 ALA HA H 4.267 0.030 1 107 16 16 ALA HB H 1.404 0.030 1 108 16 16 ALA C C 177.760 0.300 1 109 16 16 ALA CA C 52.937 0.300 1 110 16 16 ALA CB C 19.275 0.300 1 111 16 16 ALA N N 124.309 0.300 1 112 17 17 LEU H H 8.055 0.030 1 113 17 17 LEU HA H 4.341 0.030 1 114 17 17 LEU HB2 H 1.683 0.030 2 115 17 17 LEU HB3 H 1.633 0.030 2 116 17 17 LEU HD1 H 0.886 0.030 1 117 17 17 LEU HD2 H 0.930 0.030 1 118 17 17 LEU HG H 1.667 0.030 1 119 17 17 LEU C C 177.489 0.300 1 120 17 17 LEU CA C 55.451 0.300 1 121 17 17 LEU CB C 42.518 0.300 1 122 17 17 LEU CD1 C 24.476 0.300 2 123 17 17 LEU CD2 C 23.671 0.300 2 124 17 17 LEU CG C 27.257 0.300 1 125 17 17 LEU N N 120.312 0.300 1 126 18 18 SER H H 8.202 0.030 1 127 18 18 SER HA H 4.492 0.030 1 128 18 18 SER HB2 H 3.920 0.030 2 129 18 18 SER HB3 H 4.030 0.030 2 130 18 18 SER C C 174.931 0.300 1 131 18 18 SER CA C 58.354 0.300 1 132 18 18 SER CB C 63.748 0.300 1 133 18 18 SER N N 115.989 0.300 1 134 19 19 LEU H H 8.251 0.030 1 135 19 19 LEU HA H 4.352 0.030 1 136 19 19 LEU HB2 H 1.700 0.030 2 137 19 19 LEU HB3 H 1.637 0.030 2 138 19 19 LEU HD1 H 0.883 0.030 1 139 19 19 LEU HD2 H 0.902 0.030 1 140 19 19 LEU HG H 1.649 0.030 1 141 19 19 LEU C C 177.644 0.300 1 142 19 19 LEU CA C 55.592 0.300 1 143 19 19 LEU CB C 42.318 0.300 1 144 19 19 LEU CD1 C 25.363 0.300 2 145 19 19 LEU CD2 C 24.000 0.300 2 146 19 19 LEU CG C 26.927 0.300 1 147 19 19 LEU N N 124.116 0.300 1 148 20 20 GLU H H 8.314 0.030 1 149 20 20 GLU HA H 4.358 0.030 1 150 20 20 GLU HB2 H 2.012 0.030 2 151 20 20 GLU HB3 H 2.121 0.030 2 152 20 20 GLU HG2 H 2.322 0.030 1 153 20 20 GLU HG3 H 2.322 0.030 1 154 20 20 GLU C C 176.559 0.300 1 155 20 20 GLU CA C 57.153 0.300 1 156 20 20 GLU CB C 30.355 0.300 1 157 20 20 GLU CG C 36.339 0.300 1 158 20 20 GLU N N 120.311 0.300 1 159 21 21 SER H H 8.344 0.030 1 160 21 21 SER HA H 4.594 0.030 1 161 21 21 SER HB2 H 3.950 0.030 1 162 21 21 SER HB3 H 3.950 0.030 1 163 21 21 SER C C 173.960 0.300 1 164 21 21 SER CA C 58.239 0.300 1 165 21 21 SER CB C 64.046 0.300 1 166 21 21 SER N N 116.181 0.300 1 167 22 22 SER H H 8.152 0.030 1 168 22 22 SER HA H 5.079 0.030 1 169 22 22 SER HB2 H 3.725 0.030 2 170 22 22 SER HB3 H 3.810 0.030 2 171 22 22 SER C C 172.832 0.300 1 172 22 22 SER CA C 57.940 0.300 1 173 22 22 SER CB C 65.690 0.300 1 174 22 22 SER N N 116.693 0.300 1 175 23 23 GLU H H 8.756 0.030 1 176 23 23 GLU HA H 4.628 0.030 1 177 23 23 GLU HB2 H 1.906 0.030 2 178 23 23 GLU HB3 H 2.002 0.030 2 179 23 23 GLU HG2 H 2.199 0.030 2 180 23 23 GLU HG3 H 2.167 0.030 2 181 23 23 GLU C C 174.013 0.300 1 182 23 23 GLU CA C 55.190 0.300 1 183 23 23 GLU CB C 32.982 0.300 1 184 23 23 GLU CG C 36.037 0.300 1 185 23 23 GLU N N 121.182 0.300 1 186 24 24 GLN H H 8.588 0.030 1 187 24 24 GLN HA H 5.544 0.030 1 188 24 24 GLN HB2 H 1.868 0.030 2 189 24 24 GLN HB3 H 1.920 0.030 2 190 24 24 GLN HE21 H 6.691 0.030 2 191 24 24 GLN HE22 H 7.144 0.030 2 192 24 24 GLN HG2 H 2.058 0.030 2 193 24 24 GLN HG3 H 2.191 0.030 2 194 24 24 GLN C C 175.681 0.300 1 195 24 24 GLN CA C 54.354 0.300 1 196 24 24 GLN CB C 31.144 0.300 1 197 24 24 GLN CG C 34.944 0.300 1 198 24 24 GLN N N 123.682 0.300 1 199 24 24 GLN NE2 N 110.613 0.300 1 200 25 25 LEU H H 8.750 0.030 1 201 25 25 LEU HA H 4.850 0.030 1 202 25 25 LEU HB2 H 1.439 0.030 1 203 25 25 LEU HB3 H 1.439 0.030 1 204 25 25 LEU HD1 H 0.869 0.030 1 205 25 25 LEU HD2 H 0.784 0.030 1 206 25 25 LEU HG H 1.497 0.030 1 207 25 25 LEU C C 174.910 0.300 1 208 25 25 LEU CA C 54.471 0.300 1 209 25 25 LEU CB C 45.281 0.300 1 210 25 25 LEU CD1 C 24.870 0.300 2 211 25 25 LEU CD2 C 25.120 0.300 2 212 25 25 LEU CG C 27.915 0.300 1 213 25 25 LEU N N 126.131 0.300 1 214 26 26 THR H H 8.558 0.030 1 215 26 26 THR HA H 5.019 0.030 1 216 26 26 THR HB H 3.996 0.030 1 217 26 26 THR HG2 H 1.070 0.030 1 218 26 26 THR C C 173.815 0.300 1 219 26 26 THR CA C 62.245 0.300 1 220 26 26 THR CB C 69.600 0.300 1 221 26 26 THR CG2 C 21.172 0.300 1 222 26 26 THR N N 118.207 0.300 1 223 27 27 LEU H H 9.408 0.030 1 224 27 27 LEU HA H 4.615 0.030 1 225 27 27 LEU HB2 H 1.663 0.030 2 226 27 27 LEU HB3 H 1.316 0.030 2 227 27 27 LEU HD1 H 0.756 0.030 1 228 27 27 LEU HD2 H 0.717 0.030 1 229 27 27 LEU HG H 1.484 0.030 1 230 27 27 LEU C C 174.468 0.300 1 231 27 27 LEU CA C 53.972 0.300 1 232 27 27 LEU CB C 45.278 0.300 1 233 27 27 LEU CD1 C 24.520 0.300 2 234 27 27 LEU CD2 C 26.729 0.300 2 235 27 27 LEU CG C 27.048 0.300 1 236 27 27 LEU N N 127.279 0.300 1 237 28 28 GLU H H 8.304 0.030 1 238 28 28 GLU HA H 5.067 0.030 1 239 28 28 GLU HB2 H 1.949 0.030 2 240 28 28 GLU HB3 H 2.002 0.030 2 241 28 28 GLU HG2 H 2.073 0.030 2 242 28 28 GLU HG3 H 2.229 0.030 2 243 28 28 GLU C C 175.299 0.300 1 244 28 28 GLU CA C 55.426 0.300 1 245 28 28 GLU CB C 29.776 0.300 1 246 28 28 GLU CG C 36.910 0.300 1 247 28 28 GLU N N 122.644 0.300 1 248 29 29 ILE H H 8.896 0.030 1 249 29 29 ILE HA H 4.599 0.030 1 250 29 29 ILE HB H 1.694 0.030 1 251 29 29 ILE HD1 H 0.755 0.030 1 252 29 29 ILE HG12 H 1.026 0.030 2 253 29 29 ILE HG13 H 1.395 0.030 2 254 29 29 ILE HG2 H 0.763 0.030 1 255 29 29 ILE C C 173.648 0.300 1 256 29 29 ILE CA C 58.053 0.300 1 257 29 29 ILE CB C 41.003 0.300 1 258 29 29 ILE CD1 C 14.257 0.300 1 259 29 29 ILE CG1 C 27.562 0.300 1 260 29 29 ILE CG2 C 16.409 0.300 1 261 29 29 ILE N N 126.450 0.300 1 262 30 30 PRO HA H 4.805 0.030 1 263 30 30 PRO HB2 H 2.383 0.030 2 264 30 30 PRO HB3 H 2.002 0.030 2 265 30 30 PRO HD2 H 3.882 0.030 2 266 30 30 PRO HD3 H 4.059 0.030 2 267 30 30 PRO HG2 H 2.011 0.030 2 268 30 30 PRO HG3 H 2.241 0.030 2 269 30 30 PRO CA C 63.234 0.300 1 270 30 30 PRO CB C 32.548 0.300 1 271 30 30 PRO CD C 51.946 0.300 1 272 30 30 PRO CG C 27.613 0.300 1 273 31 31 LEU H H 8.219 0.030 1 274 31 31 LEU HA H 4.483 0.030 1 275 31 31 LEU HB2 H 1.420 0.030 2 276 31 31 LEU HB3 H 1.546 0.030 2 277 31 31 LEU HD1 H 0.769 0.030 1 278 31 31 LEU HD2 H 0.704 0.030 1 279 31 31 LEU HG H 1.548 0.030 1 280 31 31 LEU CA C 53.988 0.300 1 281 31 31 LEU CB C 43.246 0.300 1 282 31 31 LEU CD1 C 25.827 0.300 2 283 31 31 LEU CD2 C 23.365 0.300 2 284 31 31 LEU CG C 26.886 0.300 1 285 31 31 LEU N N 122.004 0.300 1 286 32 32 ASN H H 8.383 0.030 1 287 32 32 ASN HA H 4.691 0.030 1 288 32 32 ASN HB2 H 2.890 0.030 1 289 32 32 ASN HB3 H 2.890 0.030 1 290 32 32 ASN HD21 H 6.941 0.030 2 291 32 32 ASN HD22 H 7.709 0.030 2 292 32 32 ASN C C 175.223 0.300 1 293 32 32 ASN CA C 54.084 0.300 1 294 32 32 ASN CB C 38.788 0.300 1 295 32 32 ASN N N 118.299 0.300 1 296 32 32 ASN ND2 N 112.845 0.300 1 297 33 33 ASP H H 8.520 0.030 1 298 33 33 ASP HA H 4.706 0.030 1 299 33 33 ASP HB2 H 2.777 0.030 2 300 33 33 ASP HB3 H 2.704 0.030 2 301 33 33 ASP C C 176.225 0.300 1 302 33 33 ASP CA C 54.667 0.300 1 303 33 33 ASP CB C 41.136 0.300 1 304 33 33 ASP N N 119.758 0.300 1 305 34 34 SER H H 8.207 0.030 1 306 34 34 SER HA H 4.470 0.030 1 307 34 34 SER HB2 H 4.024 0.030 2 308 34 34 SER HB3 H 3.916 0.030 2 309 34 34 SER C C 176.251 0.300 1 310 34 34 SER CA C 59.111 0.300 1 311 34 34 SER CB C 64.052 0.300 1 312 34 34 SER N N 114.545 0.300 1 313 35 35 GLY H H 8.490 0.030 1 314 35 35 GLY HA2 H 4.103 0.030 1 315 35 35 GLY HA3 H 4.103 0.030 1 316 35 35 GLY CA C 45.529 0.300 1 317 35 35 GLY N N 110.430 0.300 1 318 36 36 SER H H 8.554 0.030 1 319 36 36 SER HA H 4.402 0.030 1 320 36 36 SER HB2 H 3.918 0.030 2 321 36 36 SER HB3 H 4.087 0.030 2 322 36 36 SER C C 175.021 0.300 1 323 36 36 SER CA C 59.417 0.300 1 324 36 36 SER CB C 63.431 0.300 1 325 37 37 ALA H H 8.349 0.030 1 326 37 37 ALA HA H 4.374 0.030 1 327 37 37 ALA HB H 1.467 0.030 1 328 37 37 ALA C C 178.841 0.300 1 329 37 37 ALA CA C 53.261 0.300 1 330 37 37 ALA CB C 19.324 0.300 1 331 37 37 ALA N N 124.440 0.300 1 332 38 38 GLY H H 8.019 0.030 1 333 38 38 GLY HA2 H 3.896 0.030 2 334 38 38 GLY HA3 H 4.088 0.030 2 335 38 38 GLY C C 174.613 0.300 1 336 38 38 GLY CA C 45.726 0.300 1 337 38 38 GLY N N 106.045 0.300 1 338 39 39 LEU H H 8.740 0.030 1 339 39 39 LEU HA H 4.132 0.030 1 340 39 39 LEU HB2 H 1.822 0.030 2 341 39 39 LEU HB3 H 1.578 0.030 2 342 39 39 LEU HD1 H 0.843 0.030 1 343 39 39 LEU HD2 H 0.914 0.030 1 344 39 39 LEU HG H 1.701 0.030 1 345 39 39 LEU C C 177.022 0.300 1 346 39 39 LEU CA C 56.827 0.300 1 347 39 39 LEU CB C 43.272 0.300 1 348 39 39 LEU CD1 C 25.521 0.300 2 349 39 39 LEU CD2 C 24.120 0.300 2 350 39 39 LEU CG C 27.171 0.300 1 351 39 39 LEU N N 123.475 0.300 1 352 40 40 GLY H H 8.472 0.030 1 353 40 40 GLY HA2 H 4.030 0.030 1 354 40 40 GLY HA3 H 4.030 0.030 1 355 40 40 GLY C C 175.451 0.300 1 356 40 40 GLY CA C 47.819 0.300 1 357 40 40 GLY N N 106.371 0.300 1 358 41 41 VAL H H 7.917 0.030 1 359 41 41 VAL HA H 5.136 0.030 1 360 41 41 VAL HB H 2.202 0.030 1 361 41 41 VAL HG1 H 0.675 0.030 1 362 41 41 VAL HG2 H 0.833 0.030 1 363 41 41 VAL C C 174.363 0.300 1 364 41 41 VAL CA C 58.803 0.300 1 365 41 41 VAL CB C 35.724 0.300 1 366 41 41 VAL CG1 C 18.993 0.300 2 367 41 41 VAL CG2 C 23.016 0.300 2 368 41 41 VAL N N 112.386 0.300 1 369 42 42 SER H H 8.640 0.030 1 370 42 42 SER HA H 4.980 0.030 1 371 42 42 SER HB2 H 3.862 0.030 1 372 42 42 SER HB3 H 3.862 0.030 1 373 42 42 SER C C 174.171 0.300 1 374 42 42 SER CA C 56.827 0.300 1 375 42 42 SER CB C 65.051 0.300 1 376 42 42 SER N N 116.994 0.300 1 377 43 43 LEU H H 9.027 0.030 1 378 43 43 LEU HA H 5.283 0.030 1 379 43 43 LEU HB2 H 1.818 0.030 2 380 43 43 LEU HB3 H 1.319 0.030 2 381 43 43 LEU HD1 H 0.834 0.030 1 382 43 43 LEU HD2 H 0.721 0.030 1 383 43 43 LEU HG H 1.576 0.030 1 384 43 43 LEU C C 175.583 0.300 1 385 43 43 LEU CA C 53.758 0.300 1 386 43 43 LEU CB C 45.408 0.300 1 387 43 43 LEU CD1 C 26.236 0.300 2 388 43 43 LEU CD2 C 24.738 0.300 2 389 43 43 LEU CG C 27.044 0.300 1 390 43 43 LEU N N 125.829 0.300 1 391 44 44 LYS H H 9.174 0.030 1 392 44 44 LYS HA H 4.800 0.030 1 393 44 44 LYS HB2 H 1.884 0.030 2 394 44 44 LYS HB3 H 1.736 0.030 2 395 44 44 LYS HD2 H 1.737 0.030 2 396 44 44 LYS HD3 H 1.539 0.030 2 397 44 44 LYS HE2 H 2.919 0.030 1 398 44 44 LYS HE3 H 2.919 0.030 1 399 44 44 LYS HG2 H 1.331 0.030 2 400 44 44 LYS HG3 H 1.367 0.030 2 401 44 44 LYS C C 174.204 0.300 1 402 44 44 LYS CA C 54.588 0.300 1 403 44 44 LYS CB C 36.576 0.300 1 404 44 44 LYS CD C 29.823 0.300 1 405 44 44 LYS CE C 42.493 0.300 1 406 44 44 LYS CG C 24.358 0.300 1 407 44 44 LYS N N 118.566 0.300 1 408 45 45 GLY H H 8.903 0.030 1 409 45 45 GLY HA2 H 3.518 0.030 2 410 45 45 GLY HA3 H 5.216 0.030 2 411 45 45 GLY C C 173.373 0.300 1 412 45 45 GLY CA C 44.645 0.300 1 413 45 45 GLY N N 111.201 0.300 1 414 46 46 ASN H H 8.696 0.030 1 415 46 46 ASN HA H 5.219 0.030 1 416 46 46 ASN HB2 H 2.599 0.030 2 417 46 46 ASN HB3 H 2.440 0.030 2 418 46 46 ASN HD21 H 5.942 0.030 2 419 46 46 ASN HD22 H 6.278 0.030 2 420 46 46 ASN C C 175.556 0.300 1 421 46 46 ASN CA C 51.678 0.300 1 422 46 46 ASN CB C 41.050 0.300 1 423 46 46 ASN N N 122.629 0.300 1 424 46 46 ASN ND2 N 109.069 0.300 1 425 47 47 LYS H H 8.834 0.030 1 426 47 47 LYS HA H 5.040 0.030 1 427 47 47 LYS HB2 H 1.589 0.030 2 428 47 47 LYS HB3 H 1.589 0.030 2 429 47 47 LYS HD2 H 1.681 0.030 1 430 47 47 LYS HD3 H 1.681 0.030 1 431 47 47 LYS HE2 H 3.034 0.030 1 432 47 47 LYS HE3 H 3.034 0.030 1 433 47 47 LYS HG2 H 1.431 0.030 2 434 47 47 LYS HG3 H 1.291 0.030 2 435 47 47 LYS C C 175.504 0.300 1 436 47 47 LYS CA C 55.308 0.300 1 437 47 47 LYS CB C 36.641 0.300 1 438 47 47 LYS CD C 29.611 0.300 1 439 47 47 LYS CE C 42.002 0.300 1 440 47 47 LYS CG C 24.528 0.300 1 441 47 47 LYS N N 123.897 0.300 1 442 48 48 SER H H 8.869 0.030 1 443 48 48 SER HA H 4.551 0.030 1 444 48 48 SER HB2 H 4.061 0.030 2 445 48 48 SER HB3 H 4.007 0.030 2 446 48 48 SER C C 176.948 0.300 1 447 48 48 SER CA C 57.427 0.300 1 448 48 48 SER CB C 63.652 0.300 1 449 48 48 SER N N 117.155 0.300 1 450 49 49 ARG H H 9.266 0.030 1 451 49 49 ARG HA H 4.143 0.030 1 452 49 49 ARG HB2 H 1.911 0.030 1 453 49 49 ARG HB3 H 1.911 0.030 1 454 49 49 ARG HD2 H 3.252 0.030 2 455 49 49 ARG HD3 H 3.355 0.030 2 456 49 49 ARG HG2 H 1.709 0.030 2 457 49 49 ARG HG3 H 1.753 0.030 2 458 49 49 ARG C C 177.479 0.300 1 459 49 49 ARG CA C 58.564 0.300 1 460 49 49 ARG CB C 30.188 0.300 1 461 49 49 ARG CD C 43.406 0.300 1 462 49 49 ARG CG C 27.391 0.300 1 463 49 49 ARG N N 129.772 0.300 1 464 50 50 GLU H H 8.554 0.030 1 465 50 50 GLU HA H 4.229 0.030 1 466 50 50 GLU HB2 H 2.087 0.030 1 467 50 50 GLU HB3 H 2.087 0.030 1 468 50 50 GLU HG2 H 2.305 0.030 2 469 50 50 GLU HG3 H 2.372 0.030 2 470 50 50 GLU C C 178.216 0.300 1 471 50 50 GLU CA C 59.376 0.300 1 472 50 50 GLU CB C 30.315 0.300 1 473 50 50 GLU CG C 36.890 0.300 1 474 50 50 GLU N N 117.593 0.300 1 475 51 51 THR H H 7.734 0.030 1 476 51 51 THR HA H 4.570 0.030 1 477 51 51 THR HB H 4.476 0.030 1 478 51 51 THR HG2 H 1.213 0.030 1 479 51 51 THR C C 176.243 0.300 1 480 51 51 THR CA C 61.450 0.300 1 481 51 51 THR CB C 70.863 0.300 1 482 51 51 THR CG2 C 21.658 0.300 1 483 51 51 THR N N 104.688 0.300 1 484 52 52 GLY H H 7.940 0.030 1 485 52 52 GLY HA2 H 4.192 0.030 2 486 52 52 GLY HA3 H 3.923 0.030 2 487 52 52 GLY C C 173.907 0.300 1 488 52 52 GLY CA C 46.228 0.300 1 489 52 52 GLY N N 111.250 0.300 1 490 53 53 THR H H 7.631 0.030 1 491 53 53 THR HA H 4.290 0.030 1 492 53 53 THR HB H 4.060 0.030 1 493 53 53 THR HG2 H 1.260 0.030 1 494 53 53 THR C C 173.994 0.300 1 495 53 53 THR CA C 62.191 0.300 1 496 53 53 THR CB C 70.254 0.300 1 497 53 53 THR CG2 C 21.822 0.300 1 498 53 53 THR N N 114.001 0.300 1 499 54 54 ASP H H 8.798 0.030 1 500 54 54 ASP HA H 4.668 0.030 1 501 54 54 ASP HB2 H 2.822 0.030 2 502 54 54 ASP HB3 H 2.706 0.030 2 503 54 54 ASP C C 176.954 0.300 1 504 54 54 ASP CA C 56.192 0.300 1 505 54 54 ASP CB C 39.812 0.300 1 506 54 54 ASP N N 126.181 0.300 1 507 55 55 LEU H H 8.794 0.030 1 508 55 55 LEU HA H 4.647 0.030 1 509 55 55 LEU HB2 H 1.382 0.030 2 510 55 55 LEU HB3 H 1.779 0.030 2 511 55 55 LEU HD1 H 0.862 0.030 1 512 55 55 LEU HD2 H 0.776 0.030 1 513 55 55 LEU HG H 1.657 0.030 1 514 55 55 LEU C C 176.539 0.300 1 515 55 55 LEU CA C 54.431 0.300 1 516 55 55 LEU CB C 44.635 0.300 1 517 55 55 LEU CD1 C 22.871 0.300 2 518 55 55 LEU CD2 C 25.895 0.300 2 519 55 55 LEU CG C 27.063 0.300 1 520 55 55 LEU N N 121.019 0.300 1 521 56 56 GLY H H 7.828 0.030 1 522 56 56 GLY HA2 H 4.703 0.030 2 523 56 56 GLY HA3 H 3.720 0.030 2 524 56 56 GLY C C 171.546 0.300 1 525 56 56 GLY CA C 43.843 0.300 1 526 56 56 GLY N N 106.516 0.300 1 527 57 57 ILE H H 8.762 0.030 1 528 57 57 ILE HA H 4.971 0.030 1 529 57 57 ILE HB H 1.861 0.030 1 530 57 57 ILE HD1 H 0.811 0.030 1 531 57 57 ILE HG12 H 1.494 0.030 2 532 57 57 ILE HG13 H 1.344 0.030 2 533 57 57 ILE HG2 H 0.887 0.030 1 534 57 57 ILE C C 174.409 0.300 1 535 57 57 ILE CA C 58.344 0.300 1 536 57 57 ILE CB C 38.463 0.300 1 537 57 57 ILE CD1 C 10.900 0.300 1 538 57 57 ILE CG1 C 26.680 0.300 1 539 57 57 ILE CG2 C 19.517 0.300 1 540 57 57 ILE N N 115.533 0.300 1 541 58 58 PHE H H 9.114 0.030 1 542 58 58 PHE HA H 5.466 0.030 1 543 58 58 PHE HB2 H 2.653 0.030 2 544 58 58 PHE HB3 H 2.649 0.030 2 545 58 58 PHE HD1 H 7.166 0.030 1 546 58 58 PHE HD2 H 7.166 0.030 1 547 58 58 PHE HE1 H 7.113 0.030 1 548 58 58 PHE HE2 H 7.113 0.030 1 549 58 58 PHE HZ H 7.375 0.030 1 550 58 58 PHE C C 176.065 0.300 1 551 58 58 PHE CA C 55.310 0.300 1 552 58 58 PHE CB C 43.981 0.300 1 553 58 58 PHE CD1 C 132.406 0.300 3 554 58 58 PHE CD2 C 132.406 0.300 3 555 58 58 PHE CE1 C 130.827 0.300 3 556 58 58 PHE CE2 C 130.827 0.300 3 557 58 58 PHE CZ C 132.588 0.300 1 558 58 58 PHE N N 123.080 0.300 1 559 59 59 ILE H H 8.722 0.030 1 560 59 59 ILE HA H 4.092 0.030 1 561 59 59 ILE HB H 2.365 0.030 1 562 59 59 ILE HD1 H 0.821 0.030 1 563 59 59 ILE HG12 H 1.322 0.030 2 564 59 59 ILE HG13 H 1.614 0.030 2 565 59 59 ILE HG2 H 0.742 0.030 1 566 59 59 ILE C C 176.558 0.300 1 567 59 59 ILE CA C 61.643 0.300 1 568 59 59 ILE CB C 36.350 0.300 1 569 59 59 ILE CD1 C 12.239 0.300 1 570 59 59 ILE CG1 C 27.240 0.300 1 571 59 59 ILE CG2 C 17.793 0.300 1 572 59 59 ILE N N 118.877 0.300 1 573 60 60 LYS H H 9.429 0.030 1 574 60 60 LYS HA H 4.458 0.030 1 575 60 60 LYS HB2 H 1.446 0.030 2 576 60 60 LYS HB3 H 1.801 0.030 2 577 60 60 LYS HD2 H 1.630 0.030 2 578 60 60 LYS HD3 H 1.704 0.030 2 579 60 60 LYS HE2 H 3.001 0.030 1 580 60 60 LYS HE3 H 3.001 0.030 1 581 60 60 LYS HG2 H 1.465 0.030 2 582 60 60 LYS HG3 H 1.334 0.030 2 583 60 60 LYS CA C 57.160 0.300 1 584 60 60 LYS CB C 33.649 0.300 1 585 60 60 LYS CD C 29.447 0.300 1 586 60 60 LYS CE C 42.148 0.300 1 587 60 60 LYS CG C 24.912 0.300 1 588 60 60 LYS N N 132.791 0.300 1 589 61 61 SER H H 7.671 0.030 1 590 61 61 SER HA H 4.628 0.030 1 591 61 61 SER HB2 H 3.774 0.030 1 592 61 61 SER HB3 H 3.774 0.030 1 593 61 61 SER C C 171.749 0.300 1 594 61 61 SER CA C 57.560 0.300 1 595 61 61 SER CB C 65.537 0.300 1 596 61 61 SER N N 110.497 0.300 1 597 62 62 ILE H H 8.702 0.030 1 598 62 62 ILE HA H 4.387 0.030 1 599 62 62 ILE HB H 1.940 0.030 1 600 62 62 ILE HD1 H 0.646 0.030 1 601 62 62 ILE HG12 H 1.028 0.030 2 602 62 62 ILE HG13 H 1.414 0.030 2 603 62 62 ILE HG2 H 1.018 0.030 1 604 62 62 ILE C C 175.576 0.300 1 605 62 62 ILE CA C 60.564 0.300 1 606 62 62 ILE CB C 38.906 0.300 1 607 62 62 ILE CD1 C 13.338 0.300 1 608 62 62 ILE CG1 C 27.856 0.300 1 609 62 62 ILE CG2 C 18.217 0.300 1 610 62 62 ILE N N 123.298 0.300 1 611 63 63 ILE H H 8.240 0.030 1 612 63 63 ILE HA H 3.977 0.030 1 613 63 63 ILE HB H 1.652 0.030 1 614 63 63 ILE HD1 H 0.719 0.030 1 615 63 63 ILE HG12 H 1.098 0.030 2 616 63 63 ILE HG13 H 1.348 0.030 2 617 63 63 ILE HG2 H 0.903 0.030 1 618 63 63 ILE C C 177.100 0.300 1 619 63 63 ILE CA C 61.298 0.300 1 620 63 63 ILE CB C 37.711 0.300 1 621 63 63 ILE CD1 C 12.039 0.300 1 622 63 63 ILE CG1 C 28.130 0.300 1 623 63 63 ILE CG2 C 17.036 0.300 1 624 63 63 ILE N N 128.129 0.300 1 625 64 64 HIS H H 9.248 0.030 1 626 64 64 HIS HA H 3.071 0.030 1 627 64 64 HIS HB2 H 2.798 0.030 2 628 64 64 HIS HB3 H 2.953 0.030 2 629 64 64 HIS HD2 H 6.776 0.030 1 630 64 64 HIS HE1 H 8.064 0.030 1 631 64 64 HIS C C 175.940 0.300 1 632 64 64 HIS CA C 59.099 0.300 1 633 64 64 HIS CB C 28.953 0.300 1 634 64 64 HIS CD2 C 119.620 0.300 1 635 64 64 HIS CE1 C 137.686 0.300 1 636 64 64 HIS N N 130.367 0.300 1 637 65 65 GLY H H 5.472 0.030 1 638 65 65 GLY HA2 H 4.121 0.030 2 639 65 65 GLY HA3 H 3.544 0.030 2 640 65 65 GLY C C 173.875 0.300 1 641 65 65 GLY CA C 45.115 0.300 1 642 65 65 GLY N N 111.319 0.300 1 643 66 66 GLY H H 7.366 0.030 1 644 66 66 GLY HA2 H 4.433 0.030 2 645 66 66 GLY HA3 H 3.951 0.030 2 646 66 66 GLY C C 173.554 0.300 1 647 66 66 GLY CA C 44.909 0.300 1 648 66 66 GLY N N 105.611 0.300 1 649 67 67 ALA H H 8.788 0.030 1 650 67 67 ALA HA H 4.118 0.030 1 651 67 67 ALA HB H 1.583 0.030 1 652 67 67 ALA C C 181.338 0.300 1 653 67 67 ALA CA C 55.725 0.300 1 654 67 67 ALA CB C 19.190 0.300 1 655 67 67 ALA N N 120.202 0.300 1 656 68 68 ALA H H 8.898 0.030 1 657 68 68 ALA HA H 4.136 0.030 1 658 68 68 ALA HB H 1.405 0.030 1 659 68 68 ALA C C 180.914 0.300 1 660 68 68 ALA CA C 55.177 0.300 1 661 68 68 ALA CB C 19.272 0.300 1 662 68 68 ALA N N 120.097 0.300 1 663 69 69 PHE H H 9.323 0.030 1 664 69 69 PHE HA H 3.980 0.030 1 665 69 69 PHE HB2 H 3.233 0.030 2 666 69 69 PHE HB3 H 3.230 0.030 2 667 69 69 PHE HD1 H 7.126 0.030 1 668 69 69 PHE HD2 H 7.126 0.030 1 669 69 69 PHE HE1 H 7.352 0.030 1 670 69 69 PHE HE2 H 7.352 0.030 1 671 69 69 PHE HZ H 7.258 0.030 1 672 69 69 PHE C C 176.902 0.300 1 673 69 69 PHE CA C 61.203 0.300 1 674 69 69 PHE CB C 39.425 0.300 1 675 69 69 PHE CD1 C 131.363 0.300 3 676 69 69 PHE CD2 C 131.363 0.300 3 677 69 69 PHE CE1 C 131.384 0.300 3 678 69 69 PHE CE2 C 131.384 0.300 3 679 69 69 PHE CZ C 131.981 0.300 1 680 69 69 PHE N N 124.628 0.300 1 681 70 70 LYS H H 8.472 0.030 1 682 70 70 LYS HA H 3.801 0.030 1 683 70 70 LYS HB2 H 1.879 0.030 2 684 70 70 LYS HB3 H 1.885 0.030 2 685 70 70 LYS HD2 H 1.701 0.030 1 686 70 70 LYS HD3 H 1.701 0.030 1 687 70 70 LYS HE2 H 2.997 0.030 1 688 70 70 LYS HE3 H 2.997 0.030 1 689 70 70 LYS HG2 H 1.516 0.030 2 690 70 70 LYS HG3 H 1.678 0.030 2 691 70 70 LYS C C 178.070 0.300 1 692 70 70 LYS CA C 59.352 0.300 1 693 70 70 LYS CB C 32.594 0.300 1 694 70 70 LYS CD C 29.302 0.300 1 695 70 70 LYS CE C 42.119 0.300 1 696 70 70 LYS CG C 25.760 0.300 1 697 70 70 LYS N N 119.538 0.300 1 698 71 71 ASP H H 7.769 0.030 1 699 71 71 ASP HA H 4.394 0.030 1 700 71 71 ASP HB2 H 2.849 0.030 2 701 71 71 ASP HB3 H 2.661 0.030 2 702 71 71 ASP C C 178.097 0.300 1 703 71 71 ASP CA C 57.074 0.300 1 704 71 71 ASP CB C 44.196 0.300 1 705 71 71 ASP N N 118.335 0.300 1 706 72 72 GLY H H 7.601 0.030 1 707 72 72 GLY HA2 H 3.963 0.030 2 708 72 72 GLY HA3 H 3.741 0.030 2 709 72 72 GLY C C 175.082 0.300 1 710 72 72 GLY CA C 46.295 0.300 1 711 72 72 GLY N N 102.783 0.300 1 712 73 73 ARG H H 7.903 0.030 1 713 73 73 ARG HA H 4.347 0.030 1 714 73 73 ARG HB2 H 2.015 0.030 2 715 73 73 ARG HB3 H 1.701 0.030 2 716 73 73 ARG HD2 H 3.042 0.030 2 717 73 73 ARG HD3 H 3.343 0.030 2 718 73 73 ARG HE H 8.608 0.030 1 719 73 73 ARG HG2 H 1.697 0.030 2 720 73 73 ARG HG3 H 0.753 0.030 2 721 73 73 ARG C C 177.694 0.300 1 722 73 73 ARG CA C 58.452 0.300 1 723 73 73 ARG CB C 33.041 0.300 1 724 73 73 ARG CD C 43.564 0.300 1 725 73 73 ARG CG C 27.148 0.300 1 726 73 73 ARG N N 119.221 0.300 1 727 73 73 ARG NE N 118.527 0.300 1 728 74 74 LEU H H 9.184 0.030 1 729 74 74 LEU HA H 3.974 0.030 1 730 74 74 LEU HB2 H 1.575 0.030 2 731 74 74 LEU HB3 H 1.206 0.030 2 732 74 74 LEU HD1 H 0.816 0.030 1 733 74 74 LEU HD2 H 0.788 0.030 1 734 74 74 LEU HG H 1.659 0.030 1 735 74 74 LEU C C 175.721 0.300 1 736 74 74 LEU CA C 55.592 0.300 1 737 74 74 LEU CB C 43.761 0.300 1 738 74 74 LEU CD1 C 24.965 0.300 2 739 74 74 LEU CD2 C 25.390 0.300 2 740 74 74 LEU CG C 26.704 0.300 1 741 74 74 LEU N N 121.586 0.300 1 742 75 75 ARG H H 8.838 0.030 1 743 75 75 ARG HA H 4.600 0.030 1 744 75 75 ARG HB2 H 1.819 0.030 2 745 75 75 ARG HB3 H 1.730 0.030 2 746 75 75 ARG HD2 H 3.192 0.030 2 747 75 75 ARG HD3 H 2.990 0.030 2 748 75 75 ARG HE H 7.266 0.030 1 749 75 75 ARG HG2 H 1.613 0.030 1 750 75 75 ARG HG3 H 1.613 0.030 1 751 75 75 ARG C C 175.623 0.300 1 752 75 75 ARG CA C 53.955 0.300 1 753 75 75 ARG CB C 34.826 0.300 1 754 75 75 ARG CD C 44.035 0.300 1 755 75 75 ARG CG C 26.649 0.300 1 756 75 75 ARG N N 120.423 0.300 1 757 75 75 ARG NE N 118.322 0.300 1 758 76 76 MET H H 8.640 0.030 1 759 76 76 MET HA H 3.679 0.030 1 760 76 76 MET HB2 H 2.005 0.030 2 761 76 76 MET HB3 H 1.966 0.030 2 762 76 76 MET HE H 2.208 0.030 1 763 76 76 MET HG2 H 2.424 0.030 2 764 76 76 MET HG3 H 2.639 0.030 2 765 76 76 MET C C 177.357 0.300 1 766 76 76 MET CA C 58.113 0.300 1 767 76 76 MET CB C 33.010 0.300 1 768 76 76 MET CE C 16.735 0.300 1 769 76 76 MET CG C 31.849 0.300 1 770 76 76 MET N N 119.356 0.300 1 771 77 77 ASN H H 9.599 0.030 1 772 77 77 ASN HA H 4.417 0.030 1 773 77 77 ASN HB2 H 3.348 0.030 2 774 77 77 ASN HB3 H 3.214 0.030 2 775 77 77 ASN HD21 H 7.072 0.030 2 776 77 77 ASN HD22 H 7.772 0.030 2 777 77 77 ASN C C 174.646 0.300 1 778 77 77 ASN CA C 56.127 0.300 1 779 77 77 ASN CB C 37.280 0.300 1 780 77 77 ASN N N 117.893 0.300 1 781 77 77 ASN ND2 N 113.895 0.300 1 782 78 78 ASP H H 7.920 0.030 1 783 78 78 ASP HA H 4.782 0.030 1 784 78 78 ASP HB2 H 2.786 0.030 2 785 78 78 ASP HB3 H 2.290 0.030 2 786 78 78 ASP C C 175.326 0.300 1 787 78 78 ASP CA C 56.615 0.300 1 788 78 78 ASP CB C 41.573 0.300 1 789 78 78 ASP N N 121.908 0.300 1 790 79 79 GLN H H 8.706 0.030 1 791 79 79 GLN HA H 4.356 0.030 1 792 79 79 GLN HB2 H 1.555 0.030 2 793 79 79 GLN HB3 H 1.884 0.030 2 794 79 79 GLN HE21 H 6.424 0.030 2 795 79 79 GLN HE22 H 7.766 0.030 2 796 79 79 GLN HG2 H 1.665 0.030 2 797 79 79 GLN HG3 H 1.168 0.030 2 798 79 79 GLN C C 176.230 0.300 1 799 79 79 GLN CA C 53.796 0.300 1 800 79 79 GLN CB C 29.815 0.300 1 801 79 79 GLN CG C 32.609 0.300 1 802 79 79 GLN N N 122.694 0.300 1 803 79 79 GLN NE2 N 107.907 0.300 1 804 80 80 LEU H H 8.379 0.030 1 805 80 80 LEU HA H 4.544 0.030 1 806 80 80 LEU HB2 H 1.196 0.030 2 807 80 80 LEU HB3 H 1.494 0.030 2 808 80 80 LEU HD1 H 0.782 0.030 1 809 80 80 LEU HD2 H 0.766 0.030 1 810 80 80 LEU HG H 1.529 0.030 1 811 80 80 LEU C C 175.121 0.300 1 812 80 80 LEU CA C 55.058 0.300 1 813 80 80 LEU CB C 41.747 0.300 1 814 80 80 LEU CD1 C 25.933 0.300 2 815 80 80 LEU CD2 C 25.767 0.300 2 816 80 80 LEU CG C 28.411 0.300 1 817 80 80 LEU N N 127.442 0.300 1 818 81 81 ILE H H 9.009 0.030 1 819 81 81 ILE HA H 4.567 0.030 1 820 81 81 ILE HB H 1.970 0.030 1 821 81 81 ILE HD1 H 0.716 0.030 1 822 81 81 ILE HG12 H 1.061 0.030 2 823 81 81 ILE HG13 H 0.823 0.030 2 824 81 81 ILE HG2 H 0.759 0.030 1 825 81 81 ILE C C 176.058 0.300 1 826 81 81 ILE CA C 61.379 0.300 1 827 81 81 ILE CB C 39.433 0.300 1 828 81 81 ILE CD1 C 13.398 0.300 1 829 81 81 ILE CG1 C 26.826 0.300 1 830 81 81 ILE CG2 C 18.431 0.300 1 831 81 81 ILE N N 116.923 0.300 1 832 82 82 ALA H H 8.013 0.030 1 833 82 82 ALA HA H 4.989 0.030 1 834 82 82 ALA HB H 1.239 0.030 1 835 82 82 ALA C C 175.010 0.300 1 836 82 82 ALA CA C 53.091 0.300 1 837 82 82 ALA CB C 22.196 0.300 1 838 82 82 ALA N N 123.937 0.300 1 839 83 83 VAL H H 8.641 0.030 1 840 83 83 VAL HA H 5.160 0.030 1 841 83 83 VAL HB H 1.850 0.030 1 842 83 83 VAL HG1 H 0.945 0.030 1 843 83 83 VAL HG2 H 0.961 0.030 1 844 83 83 VAL CA C 58.801 0.300 1 845 83 83 VAL CB C 34.305 0.300 1 846 83 83 VAL CG1 C 19.408 0.300 2 847 83 83 VAL CG2 C 21.691 0.300 2 848 83 83 VAL N N 116.775 0.300 1 849 84 84 ASN H H 9.983 0.030 1 850 84 84 ASN HA H 4.482 0.030 1 851 84 84 ASN HB2 H 3.164 0.030 2 852 84 84 ASN HB3 H 2.949 0.030 2 853 84 84 ASN HD21 H 7.329 0.030 2 854 84 84 ASN HD22 H 7.741 0.030 2 855 84 84 ASN C C 175.100 0.300 1 856 84 84 ASN CA C 54.083 0.300 1 857 84 84 ASN CB C 37.420 0.300 1 858 84 84 ASN N N 127.886 0.300 1 859 84 84 ASN ND2 N 112.186 0.300 1 860 85 85 GLY H H 9.087 0.030 1 861 85 85 GLY HA2 H 4.189 0.030 2 862 85 85 GLY HA3 H 3.589 0.030 2 863 85 85 GLY C C 173.822 0.300 1 864 85 85 GLY CA C 45.367 0.300 1 865 85 85 GLY N N 104.207 0.300 1 866 86 86 GLU H H 8.305 0.030 1 867 86 86 GLU HA H 4.617 0.030 1 868 86 86 GLU HB2 H 2.020 0.030 1 869 86 86 GLU HB3 H 2.020 0.030 1 870 86 86 GLU HG2 H 2.263 0.030 2 871 86 86 GLU HG3 H 2.239 0.030 2 872 86 86 GLU C C 175.681 0.300 1 873 86 86 GLU CA C 54.781 0.300 1 874 86 86 GLU CB C 30.680 0.300 1 875 86 86 GLU CG C 35.820 0.300 1 876 86 86 GLU N N 123.135 0.300 1 877 87 87 THR H H 8.576 0.030 1 878 87 87 THR HA H 4.420 0.030 1 879 87 87 THR HB H 4.310 0.030 1 880 87 87 THR HG2 H 1.318 0.030 1 881 87 87 THR C C 173.531 0.300 1 882 87 87 THR CA C 62.669 0.300 1 883 87 87 THR CB C 69.289 0.300 1 884 87 87 THR CG2 C 20.621 0.300 1 885 87 87 THR N N 120.087 0.300 1 886 88 88 LEU H H 8.671 0.030 1 887 88 88 LEU HA H 4.442 0.030 1 888 88 88 LEU HB2 H 1.392 0.030 2 889 88 88 LEU HB3 H 1.619 0.030 2 890 88 88 LEU HD1 H 0.833 0.030 1 891 88 88 LEU HD2 H 0.638 0.030 1 892 88 88 LEU HG H 1.494 0.030 1 893 88 88 LEU C C 178.063 0.300 1 894 88 88 LEU CA C 54.115 0.300 1 895 88 88 LEU CB C 42.053 0.300 1 896 88 88 LEU CD1 C 23.028 0.300 2 897 88 88 LEU CD2 C 25.490 0.300 2 898 88 88 LEU CG C 27.255 0.300 1 899 88 88 LEU N N 123.644 0.300 1 900 89 89 LEU H H 8.072 0.030 1 901 89 89 LEU HA H 4.337 0.030 1 902 89 89 LEU HB2 H 1.498 0.030 2 903 89 89 LEU HB3 H 1.760 0.030 2 904 89 89 LEU HD1 H 0.940 0.030 1 905 89 89 LEU HD2 H 0.890 0.030 1 906 89 89 LEU HG H 1.769 0.030 1 907 89 89 LEU C C 177.772 0.300 1 908 89 89 LEU CA C 55.688 0.300 1 909 89 89 LEU CB C 41.592 0.300 1 910 89 89 LEU CD1 C 25.421 0.300 2 911 89 89 LEU CD2 C 22.680 0.300 2 912 89 89 LEU CG C 26.896 0.300 1 913 89 89 LEU N N 122.542 0.300 1 914 90 90 GLY H H 9.042 0.030 1 915 90 90 GLY HA2 H 4.131 0.030 2 916 90 90 GLY HA3 H 3.727 0.030 2 917 90 90 GLY C C 174.106 0.300 1 918 90 90 GLY CA C 45.606 0.300 1 919 90 90 GLY N N 110.805 0.300 1 920 91 91 LYS H H 7.086 0.030 1 921 91 91 LYS HA H 4.660 0.030 1 922 91 91 LYS HB2 H 1.916 0.030 2 923 91 91 LYS HB3 H 1.760 0.030 2 924 91 91 LYS HD2 H 1.465 0.030 1 925 91 91 LYS HD3 H 1.465 0.030 1 926 91 91 LYS HE2 H 3.131 0.030 2 927 91 91 LYS HE3 H 3.058 0.030 2 928 91 91 LYS HG2 H 1.333 0.030 1 929 91 91 LYS HG3 H 1.333 0.030 1 930 91 91 LYS C C 176.975 0.300 1 931 91 91 LYS CA C 54.752 0.300 1 932 91 91 LYS CB C 35.600 0.300 1 933 91 91 LYS CD C 29.910 0.300 1 934 91 91 LYS CE C 42.482 0.300 1 935 91 91 LYS CG C 25.494 0.300 1 936 91 91 LYS N N 117.633 0.300 1 937 92 92 SER H H 9.058 0.030 1 938 92 92 SER HA H 4.509 0.030 1 939 92 92 SER HB2 H 4.149 0.030 2 940 92 92 SER HB3 H 4.450 0.030 2 941 92 92 SER C C 174.382 0.300 1 942 92 92 SER CA C 57.956 0.300 1 943 92 92 SER CB C 64.520 0.300 1 944 92 92 SER N N 119.034 0.300 1 945 93 93 ASN H H 10.450 0.030 1 946 93 93 ASN HA H 4.416 0.030 1 947 93 93 ASN HB2 H 2.954 0.030 2 948 93 93 ASN HB3 H 2.727 0.030 2 949 93 93 ASN HD21 H 7.780 0.030 2 950 93 93 ASN HD22 H 7.070 0.030 2 951 93 93 ASN C C 177.924 0.300 1 952 93 93 ASN CA C 56.030 0.300 1 953 93 93 ASN CB C 36.340 0.300 1 954 93 93 ASN N N 122.359 0.300 1 955 93 93 ASN ND2 N 109.222 0.300 1 956 94 94 HIS H H 8.846 0.030 1 957 94 94 HIS HA H 4.330 0.030 1 958 94 94 HIS HB2 H 3.292 0.030 2 959 94 94 HIS HB3 H 3.124 0.030 2 960 94 94 HIS HD2 H 7.181 0.030 1 961 94 94 HIS HE1 H 8.223 0.030 1 962 94 94 HIS C C 177.509 0.300 1 963 94 94 HIS CA C 60.038 0.300 1 964 94 94 HIS CB C 29.576 0.300 1 965 94 94 HIS CD2 C 119.731 0.300 1 966 94 94 HIS CE1 C 137.876 0.300 1 967 94 94 HIS N N 117.806 0.300 1 968 95 95 GLU H H 7.995 0.030 1 969 95 95 GLU HA H 3.990 0.030 1 970 95 95 GLU HB2 H 2.249 0.030 2 971 95 95 GLU HB3 H 2.027 0.030 2 972 95 95 GLU HG2 H 2.291 0.030 2 973 95 95 GLU HG3 H 2.381 0.030 2 974 95 95 GLU C C 179.869 0.300 1 975 95 95 GLU CA C 59.003 0.300 1 976 95 95 GLU CB C 29.961 0.300 1 977 95 95 GLU CG C 36.876 0.300 1 978 95 95 GLU N N 120.243 0.300 1 979 96 96 ALA H H 9.189 0.030 1 980 96 96 ALA HA H 4.124 0.030 1 981 96 96 ALA HB H 1.575 0.030 1 982 96 96 ALA C C 179.241 0.300 1 983 96 96 ALA CA C 55.584 0.300 1 984 96 96 ALA CB C 18.908 0.300 1 985 96 96 ALA N N 124.328 0.300 1 986 97 97 MET H H 8.533 0.030 1 987 97 97 MET HA H 4.110 0.030 1 988 97 97 MET HB2 H 2.089 0.030 2 989 97 97 MET HB3 H 2.289 0.030 2 990 97 97 MET HE H 1.995 0.030 1 991 97 97 MET HG2 H 2.705 0.030 2 992 97 97 MET HG3 H 2.637 0.030 2 993 97 97 MET C C 179.028 0.300 1 994 97 97 MET CA C 58.397 0.300 1 995 97 97 MET CB C 31.560 0.300 1 996 97 97 MET CE C 16.927 0.300 1 997 97 97 MET CG C 33.189 0.300 1 998 97 97 MET N N 116.736 0.300 1 999 98 98 GLU H H 7.947 0.030 1 1000 98 98 GLU HA H 4.115 0.030 1 1001 98 98 GLU HB2 H 2.074 0.030 1 1002 98 98 GLU HB3 H 2.074 0.030 1 1003 98 98 GLU HG2 H 2.162 0.030 1 1004 98 98 GLU HG3 H 2.162 0.030 1 1005 98 98 GLU C C 178.919 0.300 1 1006 98 98 GLU CA C 59.147 0.300 1 1007 98 98 GLU CB C 29.314 0.300 1 1008 98 98 GLU CG C 36.053 0.300 1 1009 98 98 GLU N N 120.112 0.300 1 1010 99 99 THR H H 8.207 0.030 1 1011 99 99 THR HA H 3.876 0.030 1 1012 99 99 THR HB H 4.238 0.030 1 1013 99 99 THR HG2 H 1.069 0.030 1 1014 99 99 THR C C 177.055 0.300 1 1015 99 99 THR CA C 67.346 0.300 1 1016 99 99 THR CB C 68.639 0.300 1 1017 99 99 THR CG2 C 21.396 0.300 1 1018 99 99 THR N N 118.348 0.300 1 1019 100 100 LEU H H 8.168 0.030 1 1020 100 100 LEU HA H 3.918 0.030 1 1021 100 100 LEU HB2 H 1.625 0.030 2 1022 100 100 LEU HB3 H 1.760 0.030 2 1023 100 100 LEU HD1 H 0.756 0.030 1 1024 100 100 LEU HD2 H 0.812 0.030 1 1025 100 100 LEU HG H 1.679 0.030 1 1026 100 100 LEU C C 177.990 0.300 1 1027 100 100 LEU CA C 58.721 0.300 1 1028 100 100 LEU CB C 41.699 0.300 1 1029 100 100 LEU CD1 C 25.112 0.300 2 1030 100 100 LEU CD2 C 25.752 0.300 2 1031 100 100 LEU CG C 27.602 0.300 1 1032 100 100 LEU N N 123.149 0.300 1 1033 101 101 ARG H H 8.500 0.030 1 1034 101 101 ARG HA H 3.912 0.030 1 1035 101 101 ARG HB2 H 1.957 0.030 1 1036 101 101 ARG HB3 H 1.957 0.030 1 1037 101 101 ARG HD2 H 3.260 0.030 1 1038 101 101 ARG HD3 H 3.260 0.030 1 1039 101 101 ARG HE H 7.657 0.030 1 1040 101 101 ARG HG2 H 1.786 0.030 2 1041 101 101 ARG HG3 H 1.604 0.030 2 1042 101 101 ARG C C 179.719 0.300 1 1043 101 101 ARG CA C 60.184 0.300 1 1044 101 101 ARG CB C 30.094 0.300 1 1045 101 101 ARG CD C 43.257 0.300 1 1046 101 101 ARG CG C 27.572 0.300 1 1047 101 101 ARG N N 119.450 0.300 1 1048 101 101 ARG NE N 116.746 0.300 1 1049 102 102 ARG H H 8.134 0.030 1 1050 102 102 ARG HA H 4.099 0.030 1 1051 102 102 ARG HB2 H 1.932 0.030 2 1052 102 102 ARG HB3 H 1.984 0.030 2 1053 102 102 ARG HD2 H 3.278 0.030 1 1054 102 102 ARG HD3 H 3.278 0.030 1 1055 102 102 ARG HE H 7.462 0.030 1 1056 102 102 ARG HG2 H 1.678 0.030 2 1057 102 102 ARG HG3 H 1.839 0.030 2 1058 102 102 ARG C C 179.065 0.300 1 1059 102 102 ARG CA C 59.421 0.300 1 1060 102 102 ARG CB C 30.186 0.300 1 1061 102 102 ARG CD C 43.394 0.300 1 1062 102 102 ARG CG C 27.764 0.300 1 1063 102 102 ARG N N 118.458 0.300 1 1064 102 102 ARG NE N 117.272 0.300 1 1065 103 103 SER H H 7.992 0.030 1 1066 103 103 SER HA H 4.369 0.030 1 1067 103 103 SER HB2 H 3.971 0.030 2 1068 103 103 SER HB3 H 3.851 0.030 2 1069 103 103 SER C C 175.279 0.300 1 1070 103 103 SER CA C 61.767 0.300 1 1071 103 103 SER CB C 63.867 0.300 1 1072 103 103 SER N N 114.696 0.300 1 1073 104 104 MET H H 7.845 0.030 1 1074 104 104 MET HA H 4.309 0.030 1 1075 104 104 MET HB2 H 2.148 0.030 1 1076 104 104 MET HB3 H 2.148 0.030 1 1077 104 104 MET HE H 2.021 0.030 1 1078 104 104 MET HG2 H 2.755 0.030 2 1079 104 104 MET HG3 H 2.433 0.030 2 1080 104 104 MET C C 175.708 0.300 1 1081 104 104 MET CA C 56.742 0.300 1 1082 104 104 MET CB C 33.273 0.300 1 1083 104 104 MET CE C 16.935 0.300 1 1084 104 104 MET CG C 32.401 0.300 1 1085 104 104 MET N N 116.999 0.300 1 1086 105 105 SER H H 7.528 0.030 1 1087 105 105 SER HA H 4.536 0.030 1 1088 105 105 SER HB2 H 4.017 0.030 2 1089 105 105 SER HB3 H 4.074 0.030 2 1090 105 105 SER C C 174.649 0.300 1 1091 105 105 SER CA C 58.777 0.300 1 1092 105 105 SER CB C 64.341 0.300 1 1093 105 105 SER N N 113.833 0.300 1 1094 106 106 MET H H 8.324 0.030 1 1095 106 106 MET HA H 4.506 0.030 1 1096 106 106 MET HB2 H 2.207 0.030 2 1097 106 106 MET HB3 H 2.145 0.030 2 1098 106 106 MET HE H 2.129 0.030 1 1099 106 106 MET HG2 H 2.597 0.030 2 1100 106 106 MET HG3 H 2.699 0.030 2 1101 106 106 MET C C 176.716 0.300 1 1102 106 106 MET CA C 56.401 0.300 1 1103 106 106 MET CB C 32.695 0.300 1 1104 106 106 MET CE C 17.108 0.300 1 1105 106 106 MET CG C 32.199 0.300 1 1106 106 106 MET N N 121.381 0.300 1 1107 107 107 GLU H H 8.469 0.030 1 1108 107 107 GLU HA H 4.246 0.030 1 1109 107 107 GLU HB2 H 2.028 0.030 2 1110 107 107 GLU HB3 H 1.971 0.030 2 1111 107 107 GLU HG2 H 2.321 0.030 1 1112 107 107 GLU HG3 H 2.321 0.030 1 1113 107 107 GLU C C 177.489 0.300 1 1114 107 107 GLU CA C 57.850 0.300 1 1115 107 107 GLU CB C 29.779 0.300 1 1116 107 107 GLU CG C 36.396 0.300 1 1117 107 107 GLU N N 120.340 0.300 1 1118 108 108 GLY H H 8.424 0.030 1 1119 108 108 GLY HA2 H 3.982 0.030 1 1120 108 108 GLY HA3 H 3.982 0.030 1 1121 108 108 GLY C C 174.165 0.300 1 1122 108 108 GLY CA C 45.879 0.300 1 1123 108 108 GLY N N 109.723 0.300 1 1124 109 109 ASN H H 8.035 0.030 1 1125 109 109 ASN HA H 4.743 0.030 1 1126 109 109 ASN HB2 H 2.914 0.030 2 1127 109 109 ASN HB3 H 2.770 0.030 2 1128 109 109 ASN HD21 H 6.855 0.030 2 1129 109 109 ASN HD22 H 7.598 0.030 2 1130 109 109 ASN C C 175.583 0.300 1 1131 109 109 ASN CA C 53.581 0.300 1 1132 109 109 ASN CB C 38.786 0.300 1 1133 109 109 ASN N N 118.594 0.300 1 1134 109 109 ASN ND2 N 111.914 0.300 1 1135 110 110 ILE H H 8.096 0.030 1 1136 110 110 ILE HA H 4.165 0.030 1 1137 110 110 ILE HB H 1.955 0.030 1 1138 110 110 ILE HD1 H 0.889 0.030 1 1139 110 110 ILE HG12 H 1.249 0.030 2 1140 110 110 ILE HG13 H 1.496 0.030 2 1141 110 110 ILE HG2 H 0.938 0.030 1 1142 110 110 ILE C C 176.592 0.300 1 1143 110 110 ILE CA C 62.024 0.300 1 1144 110 110 ILE CB C 38.379 0.300 1 1145 110 110 ILE CD1 C 13.012 0.300 1 1146 110 110 ILE CG1 C 27.455 0.300 1 1147 110 110 ILE CG2 C 17.748 0.300 1 1148 110 110 ILE N N 120.610 0.300 1 1149 111 111 ARG H H 8.361 0.030 1 1150 111 111 ARG HA H 4.364 0.030 1 1151 111 111 ARG HB2 H 1.888 0.030 2 1152 111 111 ARG HB3 H 1.957 0.030 2 1153 111 111 ARG HD2 H 3.254 0.030 1 1154 111 111 ARG HD3 H 3.254 0.030 1 1155 111 111 ARG HE H 7.299 0.030 1 1156 111 111 ARG HG2 H 1.675 0.030 2 1157 111 111 ARG HG3 H 1.738 0.030 2 1158 111 111 ARG C C 176.968 0.300 1 1159 111 111 ARG CA C 56.621 0.300 1 1160 111 111 ARG CB C 31.071 0.300 1 1161 111 111 ARG CD C 43.411 0.300 1 1162 111 111 ARG CG C 27.783 0.300 1 1163 111 111 ARG N N 121.665 0.300 1 1164 111 111 ARG NE N 117.701 0.300 1 1165 112 112 GLY H H 8.326 0.030 1 1166 112 112 GLY HA2 H 3.981 0.030 1 1167 112 112 GLY HA3 H 3.981 0.030 1 1168 112 112 GLY C C 173.590 0.300 1 1169 112 112 GLY CA C 46.091 0.300 1 1170 112 112 GLY N N 108.094 0.300 1 1171 113 113 MET H H 7.741 0.030 1 1172 113 113 MET HA H 5.119 0.030 1 1173 113 113 MET HB2 H 1.939 0.030 2 1174 113 113 MET HB3 H 1.820 0.030 2 1175 113 113 MET HE H 1.952 0.030 1 1176 113 113 MET HG2 H 2.361 0.030 1 1177 113 113 MET HG3 H 2.361 0.030 1 1178 113 113 MET C C 174.276 0.300 1 1179 113 113 MET CA C 54.040 0.300 1 1180 113 113 MET CB C 35.737 0.300 1 1181 113 113 MET CE C 17.505 0.300 1 1182 113 113 MET CG C 31.354 0.300 1 1183 113 113 MET N N 117.871 0.300 1 1184 114 114 ILE H H 8.654 0.030 1 1185 114 114 ILE HA H 4.746 0.030 1 1186 114 114 ILE HB H 1.737 0.030 1 1187 114 114 ILE HD1 H 0.830 0.030 1 1188 114 114 ILE HG12 H 0.970 0.030 2 1189 114 114 ILE HG13 H 1.648 0.030 2 1190 114 114 ILE HG2 H 0.959 0.030 1 1191 114 114 ILE C C 172.166 0.300 1 1192 114 114 ILE CA C 59.574 0.300 1 1193 114 114 ILE CB C 41.980 0.300 1 1194 114 114 ILE CD1 C 14.893 0.300 1 1195 114 114 ILE CG1 C 28.820 0.300 1 1196 114 114 ILE CG2 C 16.705 0.300 1 1197 114 114 ILE N N 121.318 0.300 1 1198 115 115 GLN H H 8.548 0.030 1 1199 115 115 GLN HA H 5.277 0.030 1 1200 115 115 GLN HB2 H 1.989 0.030 2 1201 115 115 GLN HB3 H 2.171 0.030 2 1202 115 115 GLN HE21 H 6.794 0.030 2 1203 115 115 GLN HE22 H 7.892 0.030 2 1204 115 115 GLN HG2 H 2.253 0.030 2 1205 115 115 GLN HG3 H 1.831 0.030 2 1206 115 115 GLN C C 174.756 0.300 1 1207 115 115 GLN CA C 54.130 0.300 1 1208 115 115 GLN CB C 31.487 0.300 1 1209 115 115 GLN CG C 35.070 0.300 1 1210 115 115 GLN N N 127.100 0.300 1 1211 115 115 GLN NE2 N 112.862 0.300 1 1212 116 116 LEU H H 9.277 0.030 1 1213 116 116 LEU HA H 5.242 0.030 1 1214 116 116 LEU HB2 H 1.599 0.030 2 1215 116 116 LEU HB3 H 1.342 0.030 2 1216 116 116 LEU HD1 H 0.825 0.030 1 1217 116 116 LEU HD2 H 0.871 0.030 1 1218 116 116 LEU HG H 0.830 0.030 1 1219 116 116 LEU CA C 53.110 0.300 1 1220 116 116 LEU CB C 46.490 0.300 1 1221 116 116 LEU CD1 C 26.313 0.300 2 1222 116 116 LEU CD2 C 23.897 0.300 2 1223 116 116 LEU CG C 26.242 0.300 1 1224 116 116 LEU N N 127.364 0.300 1 1225 117 117 VAL H H 8.199 0.030 1 1226 117 117 VAL HA H 5.021 0.030 1 1227 117 117 VAL HB H 1.779 0.030 1 1228 117 117 VAL HG1 H 0.936 0.030 1 1229 117 117 VAL HG2 H 0.818 0.030 1 1230 117 117 VAL C C 175.921 0.300 1 1231 117 117 VAL CA C 61.655 0.300 1 1232 117 117 VAL CB C 32.649 0.300 1 1233 117 117 VAL CG1 C 21.013 0.300 2 1234 117 117 VAL CG2 C 21.382 0.300 2 1235 117 117 VAL N N 122.151 0.300 1 1236 118 118 ILE H H 9.267 0.030 1 1237 118 118 ILE HA H 5.589 0.030 1 1238 118 118 ILE HB H 1.800 0.030 1 1239 118 118 ILE HD1 H 0.780 0.030 1 1240 118 118 ILE HG12 H 1.067 0.030 2 1241 118 118 ILE HG13 H 1.380 0.030 2 1242 118 118 ILE HG2 H 0.788 0.030 1 1243 118 118 ILE C C 174.475 0.300 1 1244 118 118 ILE CA C 57.415 0.300 1 1245 118 118 ILE CB C 42.750 0.300 1 1246 118 118 ILE CD1 C 15.593 0.300 1 1247 118 118 ILE CG1 C 27.325 0.300 1 1248 118 118 ILE CG2 C 19.621 0.300 1 1249 118 118 ILE N N 122.700 0.300 1 1250 119 119 LEU H H 9.005 0.030 1 1251 119 119 LEU HA H 5.239 0.030 1 1252 119 119 LEU HB2 H 1.588 0.030 2 1253 119 119 LEU HB3 H 1.419 0.030 2 1254 119 119 LEU HD1 H 0.861 0.030 1 1255 119 119 LEU HD2 H 0.873 0.030 1 1256 119 119 LEU HG H 1.458 0.030 1 1257 119 119 LEU C C 175.589 0.300 1 1258 119 119 LEU CA C 53.648 0.300 1 1259 119 119 LEU CB C 46.004 0.300 1 1260 119 119 LEU CD1 C 24.872 0.300 2 1261 119 119 LEU CD2 C 24.478 0.300 2 1262 119 119 LEU CG C 27.450 0.300 1 1263 119 119 LEU N N 121.421 0.300 1 1264 120 120 ARG H H 9.285 0.030 1 1265 120 120 ARG HA H 4.840 0.030 1 1266 120 120 ARG HB2 H 1.703 0.030 2 1267 120 120 ARG HB3 H 1.807 0.030 2 1268 120 120 ARG HD2 H 2.997 0.030 2 1269 120 120 ARG HD3 H 3.221 0.030 2 1270 120 120 ARG HE H 9.077 0.030 1 1271 120 120 ARG HG2 H 1.570 0.030 2 1272 120 120 ARG HG3 H 1.641 0.030 2 1273 120 120 ARG C C 174.956 0.300 1 1274 120 120 ARG CA C 54.886 0.300 1 1275 120 120 ARG CB C 33.798 0.300 1 1276 120 120 ARG CD C 43.532 0.300 1 1277 120 120 ARG CG C 25.851 0.300 1 1278 120 120 ARG N N 128.431 0.300 1 1279 120 120 ARG NE N 117.132 0.300 1 1280 121 121 ARG H H 8.927 0.030 1 1281 121 121 ARG HA H 4.361 0.030 1 1282 121 121 ARG HB2 H 1.778 0.030 2 1283 121 121 ARG HB3 H 1.997 0.030 2 1284 121 121 ARG HD2 H 3.263 0.030 1 1285 121 121 ARG HD3 H 3.263 0.030 1 1286 121 121 ARG HE H 7.359 0.030 1 1287 121 121 ARG HG2 H 1.721 0.030 2 1288 121 121 ARG HG3 H 1.759 0.030 2 1289 121 121 ARG C C 176.302 0.300 1 1290 121 121 ARG CA C 56.054 0.300 1 1291 121 121 ARG CB C 31.524 0.300 1 1292 121 121 ARG CD C 43.419 0.300 1 1293 121 121 ARG CG C 27.986 0.300 1 1294 121 121 ARG N N 127.580 0.300 1 1295 121 121 ARG NE N 118.174 0.300 1 1296 122 122 SER H H 8.558 0.030 1 1297 122 122 SER HA H 4.557 0.030 1 1298 122 122 SER HB2 H 3.863 0.030 1 1299 122 122 SER HB3 H 3.863 0.030 1 1300 122 122 SER C C 178.200 0.300 1 1301 122 122 SER CA C 59.049 0.300 1 1302 122 122 SER CB C 63.997 0.300 1 1303 122 122 SER N N 118.045 0.300 1 1304 123 123 GLY H H 8.359 0.030 1 1305 123 123 GLY HA2 H 4.193 0.030 1 1306 123 123 GLY HA3 H 4.193 0.030 1 1307 123 123 GLY CA C 44.753 0.300 1 1308 123 123 GLY N N 110.586 0.300 1 1309 124 124 PRO HA H 4.510 0.030 1 1310 124 124 PRO HB2 H 2.015 0.030 2 1311 124 124 PRO HB3 H 2.329 0.030 2 1312 124 124 PRO HD2 H 3.653 0.030 1 1313 124 124 PRO HD3 H 3.653 0.030 1 1314 124 124 PRO HG2 H 2.057 0.030 1 1315 124 124 PRO HG3 H 2.057 0.030 1 1316 124 124 PRO CA C 63.351 0.300 1 1317 124 124 PRO CB C 32.297 0.300 1 1318 124 124 PRO CD C 49.851 0.300 1 1319 124 124 PRO CG C 27.213 0.300 1 1320 125 125 SER H H 8.559 0.030 1 1321 125 125 SER HA H 4.505 0.030 1 1322 125 125 SER HB2 H 3.923 0.030 1 1323 125 125 SER HB3 H 3.923 0.030 1 1324 125 125 SER CA C 58.481 0.300 1 1325 125 125 SER CB C 63.887 0.300 1 1326 125 125 SER N N 116.333 0.300 1 stop_ save_