data_10109 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the PDZ Domain from Mouse Glutamate Receptor Interacting Protein 1A-L (GRIP1) Homolog ; _BMRB_accession_number 10109 _BMRB_flat_file_name bmr10109.str _Entry_type new _Submission_date 2007-02-13 _Accession_date 2007-02-16 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sato M. . . 2 Tochio N. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 603 "13C chemical shifts" 457 "15N chemical shifts" 111 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-25 update BMRB 'update entity name' 2008-08-29 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structure of the PDZ Domain from Mouse Glutamate Receptor Interacting Protein 1A-L (GRIP1) Homolog ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sato M. . . 2 Tochio N. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ _Journal_abbreviation 'Not known' _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 'Glutamate Receptor Interacting Protein 1A-L Homolog' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Glutamate Receptor Interacting Protein 1A-L Homolog' $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 'Glutamate Receptor Interacting Protein 1A-L Homolog' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 122 _Mol_residue_sequence ; GSSGSSGAGQVVHTETTEVV LTADPVTGFGIQLQGSVFAT ETLSSPPLISYIEADSPAER CGVLQIGDRVMAINGIPTED STFEEANQLLRDSSITSKVT LEIEFDVAESVIPSSGSGPS SG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ALA 9 GLY 10 GLN 11 VAL 12 VAL 13 HIS 14 THR 15 GLU 16 THR 17 THR 18 GLU 19 VAL 20 VAL 21 LEU 22 THR 23 ALA 24 ASP 25 PRO 26 VAL 27 THR 28 GLY 29 PHE 30 GLY 31 ILE 32 GLN 33 LEU 34 GLN 35 GLY 36 SER 37 VAL 38 PHE 39 ALA 40 THR 41 GLU 42 THR 43 LEU 44 SER 45 SER 46 PRO 47 PRO 48 LEU 49 ILE 50 SER 51 TYR 52 ILE 53 GLU 54 ALA 55 ASP 56 SER 57 PRO 58 ALA 59 GLU 60 ARG 61 CYS 62 GLY 63 VAL 64 LEU 65 GLN 66 ILE 67 GLY 68 ASP 69 ARG 70 VAL 71 MET 72 ALA 73 ILE 74 ASN 75 GLY 76 ILE 77 PRO 78 THR 79 GLU 80 ASP 81 SER 82 THR 83 PHE 84 GLU 85 GLU 86 ALA 87 ASN 88 GLN 89 LEU 90 LEU 91 ARG 92 ASP 93 SER 94 SER 95 ILE 96 THR 97 SER 98 LYS 99 VAL 100 THR 101 LEU 102 GLU 103 ILE 104 GLU 105 PHE 106 ASP 107 VAL 108 ALA 109 GLU 110 SER 111 VAL 112 ILE 113 PRO 114 SER 115 SER 116 GLY 117 SER 118 GLY 119 PRO 120 SER 121 SER 122 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 1P1E "Structural Insights Into The Inter-Domain Chaperoning Of Tandem Pdz Domains In Glutamate Receptor Interacting Proteins" 82.79 101 100.00 100.00 3.06e-64 PDB 1V5Q "Solution Structure Of The Pdz Domain From Mouse Glutamate Receptor Interacting Protein 1a-L (Grip1) Homolog" 100.00 122 100.00 100.00 4.53e-78 REF XP_007506268 "PREDICTED: glutamate receptor-interacting protein 1-like, partial [Monodelphis domestica]" 90.16 161 97.27 99.09 2.40e-68 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 mouse 10090 Eukaryota Metazoa Mus musculus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' . . . . plasmid P030203-74 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.59 mM '[U-13C; U-15N]' phosphate 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name XWINNMR _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20020425 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.863 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 1.0.7 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structure solution' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 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 H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'Glutamate Receptor Interacting Protein 1A-L Homolog' _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 5 5 SER HA H 4.524 0.030 1 2 5 5 SER HB2 H 3.894 0.030 1 3 5 5 SER HB3 H 3.894 0.030 1 4 5 5 SER C C 174.910 0.300 1 5 5 5 SER CA C 58.395 0.300 1 6 5 5 SER CB C 63.955 0.300 1 7 6 6 SER H H 8.457 0.030 1 8 6 6 SER HA H 4.526 0.030 1 9 6 6 SER HB2 H 3.951 0.030 2 10 6 6 SER HB3 H 3.898 0.030 2 11 6 6 SER C C 175.109 0.300 1 12 6 6 SER CA C 58.708 0.300 1 13 6 6 SER CB C 63.815 0.300 1 14 6 6 SER N N 117.883 0.300 1 15 7 7 GLY H H 8.427 0.030 1 16 7 7 GLY HA2 H 3.990 0.030 1 17 7 7 GLY HA3 H 3.990 0.030 1 18 7 7 GLY C C 173.971 0.300 1 19 7 7 GLY CA C 45.363 0.300 1 20 7 7 GLY N N 110.861 0.300 1 21 8 8 ALA H H 8.211 0.030 1 22 8 8 ALA HA H 4.368 0.030 1 23 8 8 ALA HB H 1.413 0.030 1 24 8 8 ALA C C 178.293 0.300 1 25 8 8 ALA CA C 52.694 0.300 1 26 8 8 ALA CB C 19.331 0.300 1 27 8 8 ALA N N 123.770 0.300 1 28 9 9 GLY H H 8.439 0.030 1 29 9 9 GLY HA2 H 3.966 0.030 1 30 9 9 GLY HA3 H 3.966 0.030 1 31 9 9 GLY C C 173.947 0.300 1 32 9 9 GLY CA C 45.365 0.300 1 33 9 9 GLY N N 108.222 0.300 1 34 10 10 GLN H H 8.118 0.030 1 35 10 10 GLN HA H 4.513 0.030 1 36 10 10 GLN HB2 H 2.061 0.030 2 37 10 10 GLN HB3 H 1.960 0.030 2 38 10 10 GLN HG2 H 2.306 0.030 1 39 10 10 GLN HG3 H 2.306 0.030 1 40 10 10 GLN HE21 H 7.502 0.030 2 41 10 10 GLN HE22 H 6.857 0.030 2 42 10 10 GLN C C 175.695 0.300 1 43 10 10 GLN CA C 55.544 0.300 1 44 10 10 GLN CB C 30.131 0.300 1 45 10 10 GLN CG C 33.830 0.300 1 46 10 10 GLN N N 119.523 0.300 1 47 10 10 GLN NE2 N 112.283 0.300 1 48 11 11 VAL H H 8.432 0.030 1 49 11 11 VAL HA H 4.181 0.030 1 50 11 11 VAL HB H 2.022 0.030 1 51 11 11 VAL HG1 H 0.940 0.030 1 52 11 11 VAL HG2 H 0.863 0.030 1 53 11 11 VAL C C 175.683 0.300 1 54 11 11 VAL CA C 62.325 0.300 1 55 11 11 VAL CB C 32.951 0.300 1 56 11 11 VAL CG1 C 20.741 0.300 2 57 11 11 VAL CG2 C 20.979 0.300 2 58 11 11 VAL N N 122.559 0.300 1 59 12 12 VAL H H 8.330 0.030 1 60 12 12 VAL HA H 4.553 0.030 1 61 12 12 VAL HB H 1.932 0.030 1 62 12 12 VAL HG1 H 0.863 0.030 1 63 12 12 VAL HG2 H 0.827 0.030 1 64 12 12 VAL C C 175.683 0.300 1 65 12 12 VAL CA C 61.194 0.300 1 66 12 12 VAL CB C 33.906 0.300 1 67 12 12 VAL CG1 C 20.596 0.300 2 68 12 12 VAL CG2 C 21.188 0.300 2 69 12 12 VAL N N 124.676 0.300 1 70 13 13 HIS H H 8.742 0.030 1 71 13 13 HIS HA H 5.001 0.030 1 72 13 13 HIS HB2 H 3.304 0.030 2 73 13 13 HIS HB3 H 3.254 0.030 2 74 13 13 HIS HD2 H 7.186 0.030 1 75 13 13 HIS HE1 H 8.542 0.030 1 76 13 13 HIS C C 173.037 0.300 1 77 13 13 HIS CA C 54.738 0.300 1 78 13 13 HIS CB C 30.375 0.300 1 79 13 13 HIS CD2 C 120.229 0.300 1 80 13 13 HIS CE1 C 136.302 0.300 1 81 13 13 HIS N N 122.531 0.300 1 82 14 14 THR H H 8.340 0.030 1 83 14 14 THR HA H 5.035 0.030 1 84 14 14 THR HB H 3.928 0.030 1 85 14 14 THR HG2 H 1.062 0.030 1 86 14 14 THR C C 173.886 0.300 1 87 14 14 THR CA C 60.719 0.300 1 88 14 14 THR CB C 71.242 0.300 1 89 14 14 THR CG2 C 21.967 0.300 1 90 14 14 THR N N 114.937 0.300 1 91 15 15 GLU H H 8.451 0.030 1 92 15 15 GLU HA H 4.497 0.030 1 93 15 15 GLU HB2 H 1.669 0.030 2 94 15 15 GLU HB3 H 1.101 0.030 2 95 15 15 GLU HG2 H 2.185 0.030 2 96 15 15 GLU HG3 H 2.144 0.030 2 97 15 15 GLU C C 173.765 0.300 1 98 15 15 GLU CA C 54.825 0.300 1 99 15 15 GLU CB C 33.479 0.300 1 100 15 15 GLU CG C 36.384 0.300 1 101 15 15 GLU N N 123.141 0.300 1 102 16 16 THR H H 8.100 0.030 1 103 16 16 THR HA H 5.716 0.030 1 104 16 16 THR HB H 4.103 0.030 1 105 16 16 THR HG2 H 1.157 0.030 1 106 16 16 THR C C 175.003 0.300 1 107 16 16 THR CA C 59.680 0.300 1 108 16 16 THR CB C 71.841 0.300 1 109 16 16 THR CG2 C 21.431 0.300 1 110 16 16 THR N N 111.023 0.300 1 111 17 17 THR H H 8.910 0.030 1 112 17 17 THR HA H 4.720 0.030 1 113 17 17 THR HB H 4.215 0.030 1 114 17 17 THR HG2 H 1.031 0.030 1 115 17 17 THR C C 171.118 0.300 1 116 17 17 THR CA C 60.947 0.300 1 117 17 17 THR CB C 70.235 0.300 1 118 17 17 THR CG2 C 19.359 0.300 1 119 17 17 THR N N 117.203 0.300 1 120 18 18 GLU H H 8.060 0.030 1 121 18 18 GLU HA H 5.476 0.030 1 122 18 18 GLU HB2 H 1.977 0.030 2 123 18 18 GLU HB3 H 1.868 0.030 2 124 18 18 GLU HG2 H 2.135 0.030 2 125 18 18 GLU HG3 H 1.917 0.030 2 126 18 18 GLU C C 175.671 0.300 1 127 18 18 GLU CA C 54.699 0.300 1 128 18 18 GLU CB C 32.871 0.300 1 129 18 18 GLU CG C 37.372 0.300 1 130 18 18 GLU N N 123.587 0.300 1 131 19 19 VAL H H 9.152 0.030 1 132 19 19 VAL HA H 4.413 0.030 1 133 19 19 VAL HB H 1.849 0.030 1 134 19 19 VAL HG1 H 0.859 0.030 1 135 19 19 VAL HG2 H 0.849 0.030 1 136 19 19 VAL C C 173.267 0.300 1 137 19 19 VAL CA C 61.000 0.300 1 138 19 19 VAL CB C 35.636 0.300 1 139 19 19 VAL CG1 C 21.501 0.300 2 140 19 19 VAL CG2 C 20.783 0.300 2 141 19 19 VAL N N 125.019 0.300 1 142 20 20 VAL H H 8.553 0.030 1 143 20 20 VAL HA H 4.981 0.030 1 144 20 20 VAL HB H 1.953 0.030 1 145 20 20 VAL HG1 H 0.974 0.030 1 146 20 20 VAL HG2 H 0.832 0.030 1 147 20 20 VAL C C 176.210 0.300 1 148 20 20 VAL CA C 61.003 0.300 1 149 20 20 VAL CB C 32.959 0.300 1 150 20 20 VAL CG1 C 20.979 0.300 2 151 20 20 VAL CG2 C 20.834 0.300 2 152 20 20 VAL N N 127.832 0.300 1 153 21 21 LEU H H 8.915 0.030 1 154 21 21 LEU HA H 5.012 0.030 1 155 21 21 LEU HB2 H 1.682 0.030 2 156 21 21 LEU HB3 H 1.357 0.030 2 157 21 21 LEU HG H 1.480 0.030 1 158 21 21 LEU HD1 H 0.879 0.030 1 159 21 21 LEU HD2 H 0.721 0.030 1 160 21 21 LEU C C 175.598 0.300 1 161 21 21 LEU CA C 52.853 0.300 1 162 21 21 LEU CB C 46.076 0.300 1 163 21 21 LEU CG C 26.577 0.300 1 164 21 21 LEU CD1 C 23.450 0.300 2 165 21 21 LEU CD2 C 26.283 0.300 2 166 21 21 LEU N N 125.782 0.300 1 167 22 22 THR H H 8.453 0.030 1 168 22 22 THR HA H 5.122 0.030 1 169 22 22 THR HB H 4.083 0.030 1 170 22 22 THR HG2 H 1.312 0.030 1 171 22 22 THR C C 174.262 0.300 1 172 22 22 THR CA C 61.211 0.300 1 173 22 22 THR CB C 70.133 0.300 1 174 22 22 THR CG2 C 21.462 0.300 1 175 22 22 THR N N 117.245 0.300 1 176 23 23 ALA H H 8.424 0.030 1 177 23 23 ALA HA H 3.450 0.030 1 178 23 23 ALA HB H 0.638 0.030 1 179 23 23 ALA C C 176.933 0.300 1 180 23 23 ALA CA C 52.531 0.300 1 181 23 23 ALA CB C 18.830 0.300 1 182 23 23 ALA N N 126.299 0.300 1 183 24 24 ASP H H 8.010 0.030 1 184 24 24 ASP HA H 4.988 0.030 1 185 24 24 ASP HB2 H 2.990 0.030 2 186 24 24 ASP HB3 H 2.536 0.030 2 187 24 24 ASP CA C 51.548 0.300 1 188 24 24 ASP CB C 43.801 0.300 1 189 24 24 ASP N N 124.073 0.300 1 190 25 25 PRO HA H 4.277 0.030 1 191 25 25 PRO HB2 H 2.371 0.030 2 192 25 25 PRO HB3 H 1.971 0.030 2 193 25 25 PRO HG2 H 2.069 0.030 1 194 25 25 PRO HG3 H 2.069 0.030 1 195 25 25 PRO HD2 H 3.834 0.030 2 196 25 25 PRO HD3 H 3.754 0.030 2 197 25 25 PRO CA C 64.804 0.300 1 198 25 25 PRO CB C 32.336 0.300 1 199 25 25 PRO CG C 27.487 0.300 1 200 25 25 PRO CD C 51.119 0.300 1 201 26 26 VAL H H 8.718 0.030 1 202 26 26 VAL HA H 3.987 0.030 1 203 26 26 VAL HB H 2.219 0.030 1 204 26 26 VAL HG1 H 0.971 0.030 1 205 26 26 VAL HG2 H 0.948 0.030 1 206 26 26 VAL C C 178.171 0.300 1 207 26 26 VAL CA C 65.118 0.300 1 208 26 26 VAL CB C 32.667 0.300 1 209 26 26 VAL CG1 C 21.767 0.300 2 210 26 26 VAL CG2 C 21.209 0.300 2 211 26 26 VAL N N 117.978 0.300 1 212 27 27 THR H H 8.512 0.030 1 213 27 27 THR HA H 4.299 0.030 1 214 27 27 THR HB H 4.307 0.030 1 215 27 27 THR HG2 H 1.200 0.030 1 216 27 27 THR C C 176.217 0.300 1 217 27 27 THR CA C 62.333 0.300 1 218 27 27 THR CB C 70.191 0.300 1 219 27 27 THR CG2 C 22.144 0.300 1 220 27 27 THR N N 109.806 0.300 1 221 28 28 GLY H H 8.170 0.030 1 222 28 28 GLY HA2 H 4.142 0.030 2 223 28 28 GLY HA3 H 3.495 0.030 2 224 28 28 GLY C C 175.513 0.300 1 225 28 28 GLY CA C 45.874 0.300 1 226 28 28 GLY N N 111.536 0.300 1 227 29 29 PHE H H 8.901 0.030 1 228 29 29 PHE HA H 4.547 0.030 1 229 29 29 PHE HB2 H 3.197 0.030 2 230 29 29 PHE HB3 H 3.065 0.030 2 231 29 29 PHE HD1 H 7.136 0.030 1 232 29 29 PHE HD2 H 7.136 0.030 1 233 29 29 PHE HE1 H 7.276 0.030 1 234 29 29 PHE HE2 H 7.276 0.030 1 235 29 29 PHE HZ H 6.878 0.030 1 236 29 29 PHE C C 176.739 0.300 1 237 29 29 PHE CA C 60.578 0.300 1 238 29 29 PHE CB C 39.440 0.300 1 239 29 29 PHE CD1 C 131.187 0.300 1 240 29 29 PHE CD2 C 131.187 0.300 1 241 29 29 PHE CE1 C 132.177 0.300 1 242 29 29 PHE CE2 C 132.177 0.300 1 243 29 29 PHE CZ C 129.724 0.300 1 244 29 29 PHE N N 121.465 0.300 1 245 30 30 GLY H H 8.385 0.030 1 246 30 30 GLY HA2 H 4.650 0.030 2 247 30 30 GLY HA3 H 3.909 0.030 2 248 30 30 GLY C C 173.474 0.300 1 249 30 30 GLY CA C 45.840 0.300 1 250 30 30 GLY N N 103.798 0.300 1 251 31 31 ILE H H 7.537 0.030 1 252 31 31 ILE HA H 5.005 0.030 1 253 31 31 ILE HB H 1.638 0.030 1 254 31 31 ILE HG12 H 1.513 0.030 2 255 31 31 ILE HG13 H 0.724 0.030 2 256 31 31 ILE HG2 H 0.791 0.030 1 257 31 31 ILE HD1 H 0.653 0.030 1 258 31 31 ILE C C 175.404 0.300 1 259 31 31 ILE CA C 59.645 0.300 1 260 31 31 ILE CB C 42.020 0.300 1 261 31 31 ILE CG1 C 27.389 0.300 1 262 31 31 ILE CG2 C 18.672 0.300 1 263 31 31 ILE CD1 C 14.470 0.300 1 264 31 31 ILE N N 113.752 0.300 1 265 32 32 GLN H H 8.256 0.030 1 266 32 32 GLN HA H 4.735 0.030 1 267 32 32 GLN HB2 H 2.188 0.030 2 268 32 32 GLN HB3 H 1.966 0.030 2 269 32 32 GLN HG2 H 2.471 0.030 1 270 32 32 GLN HG3 H 2.471 0.030 1 271 32 32 GLN HE21 H 7.845 0.030 2 272 32 32 GLN HE22 H 6.889 0.030 2 273 32 32 GLN C C 174.505 0.300 1 274 32 32 GLN CA C 54.541 0.300 1 275 32 32 GLN CB C 31.749 0.300 1 276 32 32 GLN CG C 33.418 0.300 1 277 32 32 GLN N N 122.948 0.300 1 278 32 32 GLN NE2 N 114.109 0.300 1 279 33 33 LEU H H 8.958 0.030 1 280 33 33 LEU HA H 5.525 0.030 1 281 33 33 LEU HB2 H 1.886 0.030 2 282 33 33 LEU HB3 H 1.444 0.030 2 283 33 33 LEU HG H 1.633 0.030 1 284 33 33 LEU HD1 H 0.699 0.030 1 285 33 33 LEU HD2 H 0.725 0.030 1 286 33 33 LEU C C 176.897 0.300 1 287 33 33 LEU CA C 53.149 0.300 1 288 33 33 LEU CB C 45.191 0.300 1 289 33 33 LEU CG C 27.044 0.300 1 290 33 33 LEU CD1 C 24.192 0.300 2 291 33 33 LEU CD2 C 25.544 0.300 2 292 33 33 LEU N N 122.163 0.300 1 293 34 34 GLN H H 9.127 0.030 1 294 34 34 GLN HA H 4.456 0.030 1 295 34 34 GLN HB2 H 2.000 0.030 1 296 34 34 GLN HB3 H 2.000 0.030 1 297 34 34 GLN HG2 H 2.369 0.030 2 298 34 34 GLN HG3 H 2.330 0.030 2 299 34 34 GLN HE21 H 7.464 0.030 2 300 34 34 GLN HE22 H 6.845 0.030 2 301 34 34 GLN C C 174.663 0.300 1 302 34 34 GLN CA C 54.771 0.300 1 303 34 34 GLN CB C 32.575 0.300 1 304 34 34 GLN CG C 33.907 0.300 1 305 34 34 GLN N N 118.965 0.300 1 306 34 34 GLN NE2 N 111.959 0.300 1 307 35 35 GLY H H 7.968 0.030 1 308 35 35 GLY HA2 H 4.139 0.030 2 309 35 35 GLY HA3 H 3.406 0.030 2 310 35 35 GLY C C 173.388 0.300 1 311 35 35 GLY CA C 44.507 0.300 1 312 35 35 GLY N N 110.712 0.300 1 313 36 36 SER H H 8.430 0.030 1 314 36 36 SER HA H 4.407 0.030 1 315 36 36 SER HB2 H 3.859 0.030 2 316 36 36 SER HB3 H 3.729 0.030 2 317 36 36 SER C C 175.197 0.300 1 318 36 36 SER CA C 58.008 0.300 1 319 36 36 SER CB C 64.277 0.300 1 320 36 36 SER N N 115.559 0.300 1 321 37 37 VAL H H 8.191 0.030 1 322 37 37 VAL HA H 4.132 0.030 1 323 37 37 VAL HB H 2.028 0.030 1 324 37 37 VAL HG1 H 0.791 0.030 1 325 37 37 VAL HG2 H 0.751 0.030 1 326 37 37 VAL C C 175.926 0.300 1 327 37 37 VAL CA C 62.584 0.300 1 328 37 37 VAL CB C 32.492 0.300 1 329 37 37 VAL CG1 C 21.132 0.300 2 330 37 37 VAL CG2 C 19.908 0.300 2 331 37 37 VAL N N 121.145 0.300 1 332 38 38 PHE H H 8.201 0.030 1 333 38 38 PHE HA H 4.695 0.030 1 334 38 38 PHE HB2 H 3.230 0.030 2 335 38 38 PHE HB3 H 2.960 0.030 2 336 38 38 PHE HD1 H 7.273 0.030 1 337 38 38 PHE HD2 H 7.273 0.030 1 338 38 38 PHE HE1 H 7.363 0.030 1 339 38 38 PHE HE2 H 7.363 0.030 1 340 38 38 PHE C C 175.525 0.300 1 341 38 38 PHE CA C 57.445 0.300 1 342 38 38 PHE CB C 39.673 0.300 1 343 38 38 PHE CD1 C 131.756 0.300 1 344 38 38 PHE CD2 C 131.756 0.300 1 345 38 38 PHE CE1 C 131.664 0.300 1 346 38 38 PHE CE2 C 131.664 0.300 1 347 38 38 PHE N N 122.026 0.300 1 348 39 39 ALA H H 8.150 0.030 1 349 39 39 ALA HA H 4.408 0.030 1 350 39 39 ALA HB H 1.459 0.030 1 351 39 39 ALA C C 177.601 0.300 1 352 39 39 ALA CA C 52.993 0.300 1 353 39 39 ALA CB C 19.510 0.300 1 354 39 39 ALA N N 125.118 0.300 1 355 40 40 THR H H 8.095 0.030 1 356 40 40 THR HA H 4.431 0.030 1 357 40 40 THR HB H 4.420 0.030 1 358 40 40 THR HG2 H 1.253 0.030 1 359 40 40 THR C C 174.748 0.300 1 360 40 40 THR CA C 61.634 0.300 1 361 40 40 THR CB C 70.042 0.300 1 362 40 40 THR CG2 C 21.774 0.300 1 363 40 40 THR N N 111.382 0.300 1 364 41 41 GLU H H 8.507 0.030 1 365 41 41 GLU HA H 4.355 0.030 1 366 41 41 GLU HB2 H 2.175 0.030 2 367 41 41 GLU HB3 H 2.076 0.030 2 368 41 41 GLU HG2 H 2.339 0.030 1 369 41 41 GLU HG3 H 2.339 0.030 1 370 41 41 GLU C C 176.739 0.300 1 371 41 41 GLU CA C 57.392 0.300 1 372 41 41 GLU CB C 30.075 0.300 1 373 41 41 GLU CG C 36.548 0.300 1 374 41 41 GLU N N 120.678 0.300 1 375 42 42 THR H H 7.985 0.030 1 376 42 42 THR HA H 4.326 0.030 1 377 42 42 THR HB H 4.251 0.030 1 378 42 42 THR HG2 H 1.197 0.030 1 379 42 42 THR C C 174.275 0.300 1 380 42 42 THR CA C 61.986 0.300 1 381 42 42 THR CB C 69.797 0.300 1 382 42 42 THR CG2 C 21.934 0.300 1 383 42 42 THR N N 112.296 0.300 1 384 43 43 LEU H H 8.158 0.030 1 385 43 43 LEU HA H 4.402 0.030 1 386 43 43 LEU HB2 H 1.751 0.030 2 387 43 43 LEU HB3 H 1.645 0.030 2 388 43 43 LEU HG H 1.648 0.030 1 389 43 43 LEU HD1 H 0.924 0.030 1 390 43 43 LEU HD2 H 0.918 0.030 1 391 43 43 LEU C C 176.763 0.300 1 392 43 43 LEU CA C 55.528 0.300 1 393 43 43 LEU CB C 42.335 0.300 1 394 43 43 LEU CG C 27.059 0.300 1 395 43 43 LEU CD1 C 25.072 0.300 2 396 43 43 LEU CD2 C 23.987 0.300 2 397 43 43 LEU N N 124.126 0.300 1 398 44 44 SER H H 8.326 0.030 1 399 44 44 SER HA H 4.546 0.030 1 400 44 44 SER HB2 H 3.887 0.030 1 401 44 44 SER HB3 H 3.887 0.030 1 402 44 44 SER C C 173.862 0.300 1 403 44 44 SER CA C 58.252 0.300 1 404 44 44 SER CB C 64.073 0.300 1 405 44 44 SER N N 117.035 0.300 1 406 45 45 SER H H 8.221 0.030 1 407 45 45 SER HA H 4.907 0.030 1 408 45 45 SER HB2 H 3.845 0.030 1 409 45 45 SER HB3 H 3.845 0.030 1 410 45 45 SER C C 171.592 0.300 1 411 45 45 SER CA C 56.248 0.300 1 412 45 45 SER CB C 64.038 0.300 1 413 45 45 SER N N 117.713 0.300 1 414 46 46 PRO HA H 4.774 0.030 1 415 46 46 PRO HB2 H 2.404 0.030 2 416 46 46 PRO HB3 H 1.740 0.030 2 417 46 46 PRO HG2 H 2.018 0.030 2 418 46 46 PRO HG3 H 1.975 0.030 2 419 46 46 PRO HD2 H 3.838 0.030 2 420 46 46 PRO HD3 H 3.667 0.030 2 421 46 46 PRO CB C 31.495 0.300 1 422 46 46 PRO CG C 27.925 0.300 1 423 46 46 PRO CD C 50.894 0.300 1 424 47 47 PRO HA H 5.049 0.030 1 425 47 47 PRO HB2 H 2.292 0.030 2 426 47 47 PRO HB3 H 1.897 0.030 2 427 47 47 PRO HG2 H 2.061 0.030 2 428 47 47 PRO HG3 H 1.978 0.030 2 429 47 47 PRO HD2 H 4.137 0.030 2 430 47 47 PRO HD3 H 3.926 0.030 2 431 47 47 PRO CB C 32.989 0.300 1 432 47 47 PRO CG C 27.414 0.300 1 433 47 47 PRO CD C 49.903 0.300 1 434 48 48 LEU H H 8.410 0.030 1 435 48 48 LEU HA H 5.381 0.030 1 436 48 48 LEU HB2 H 1.547 0.030 2 437 48 48 LEU HB3 H 1.261 0.030 2 438 48 48 LEU HG H 1.733 0.030 1 439 48 48 LEU HD1 H 0.839 0.030 1 440 48 48 LEU HD2 H 0.887 0.030 1 441 48 48 LEU C C 178.341 0.300 1 442 48 48 LEU CA C 52.552 0.300 1 443 48 48 LEU CB C 45.351 0.300 1 444 48 48 LEU CG C 27.311 0.300 1 445 48 48 LEU CD1 C 24.766 0.300 2 446 48 48 LEU CD2 C 25.522 0.300 2 447 48 48 LEU N N 117.755 0.300 1 448 49 49 ILE H H 8.588 0.030 1 449 49 49 ILE HA H 4.238 0.030 1 450 49 49 ILE HB H 2.093 0.030 1 451 49 49 ILE HG12 H 1.720 0.030 2 452 49 49 ILE HG13 H 0.841 0.030 2 453 49 49 ILE HG2 H 0.796 0.030 1 454 49 49 ILE HD1 H 0.838 0.030 1 455 49 49 ILE C C 176.402 0.300 1 456 49 49 ILE CA C 63.169 0.300 1 457 49 49 ILE CB C 37.101 0.300 1 458 49 49 ILE CG1 C 27.923 0.300 1 459 49 49 ILE CG2 C 17.522 0.300 1 460 49 49 ILE CD1 C 13.783 0.300 1 461 49 49 ILE N N 119.332 0.300 1 462 50 50 SER H H 9.453 0.030 1 463 50 50 SER HA H 4.633 0.030 1 464 50 50 SER HB2 H 3.960 0.030 2 465 50 50 SER HB3 H 3.485 0.030 2 466 50 50 SER C C 174.481 0.300 1 467 50 50 SER CA C 58.595 0.300 1 468 50 50 SER CB C 64.962 0.300 1 469 50 50 SER N N 126.036 0.300 1 470 51 51 TYR H H 7.544 0.030 1 471 51 51 TYR HA H 4.291 0.030 1 472 51 51 TYR HB2 H 3.179 0.030 2 473 51 51 TYR HB3 H 2.403 0.030 2 474 51 51 TYR HD1 H 6.997 0.030 1 475 51 51 TYR HD2 H 6.997 0.030 1 476 51 51 TYR HE1 H 6.833 0.030 1 477 51 51 TYR HE2 H 6.833 0.030 1 478 51 51 TYR C C 172.150 0.300 1 479 51 51 TYR CA C 59.541 0.300 1 480 51 51 TYR CB C 41.979 0.300 1 481 51 51 TYR CD1 C 132.962 0.300 1 482 51 51 TYR CD2 C 132.962 0.300 1 483 51 51 TYR CE1 C 118.346 0.300 1 484 51 51 TYR CE2 C 118.346 0.300 1 485 51 51 TYR N N 122.544 0.300 1 486 52 52 ILE H H 7.110 0.030 1 487 52 52 ILE HA H 4.583 0.030 1 488 52 52 ILE HB H 1.371 0.030 1 489 52 52 ILE HG12 H 1.267 0.030 2 490 52 52 ILE HG13 H 0.599 0.030 2 491 52 52 ILE HG2 H 0.551 0.030 1 492 52 52 ILE HD1 H 0.535 0.030 1 493 52 52 ILE C C 174.897 0.300 1 494 52 52 ILE CA C 59.357 0.300 1 495 52 52 ILE CB C 40.307 0.300 1 496 52 52 ILE CG1 C 28.063 0.300 1 497 52 52 ILE CG2 C 16.971 0.300 1 498 52 52 ILE CD1 C 13.575 0.300 1 499 52 52 ILE N N 125.700 0.300 1 500 53 53 GLU H H 9.053 0.030 1 501 53 53 GLU HA H 4.009 0.030 1 502 53 53 GLU HB2 H 1.988 0.030 1 503 53 53 GLU HB3 H 1.988 0.030 1 504 53 53 GLU HG2 H 2.522 0.030 2 505 53 53 GLU HG3 H 2.465 0.030 2 506 53 53 GLU C C 176.915 0.300 1 507 53 53 GLU CA C 55.910 0.300 1 508 53 53 GLU CB C 30.365 0.300 1 509 53 53 GLU CG C 35.488 0.300 1 510 53 53 GLU N N 128.025 0.300 1 511 54 54 ALA H H 8.769 0.030 1 512 54 54 ALA HA H 4.214 0.030 1 513 54 54 ALA HB H 1.413 0.030 1 514 54 54 ALA C C 178.038 0.300 1 515 54 54 ALA CA C 53.336 0.300 1 516 54 54 ALA CB C 18.549 0.300 1 517 54 54 ALA N N 130.707 0.300 1 518 55 55 ASP H H 9.262 0.030 1 519 55 55 ASP HA H 4.292 0.030 1 520 55 55 ASP HB2 H 2.994 0.030 2 521 55 55 ASP HB3 H 2.703 0.030 2 522 55 55 ASP C C 174.069 0.300 1 523 55 55 ASP CA C 55.669 0.300 1 524 55 55 ASP CB C 39.761 0.300 1 525 55 55 ASP N N 117.636 0.300 1 526 56 56 SER H H 7.387 0.030 1 527 56 56 SER HA H 4.900 0.030 1 528 56 56 SER HB2 H 4.103 0.030 2 529 56 56 SER HB3 H 3.583 0.030 2 530 56 56 SER C C 173.534 0.300 1 531 56 56 SER CA C 56.768 0.300 1 532 56 56 SER CB C 64.734 0.300 1 533 56 56 SER N N 112.292 0.300 1 534 57 57 PRO HA H 4.321 0.030 1 535 57 57 PRO HB2 H 2.812 0.030 2 536 57 57 PRO HB3 H 2.155 0.030 2 537 57 57 PRO HG2 H 2.755 0.030 2 538 57 57 PRO HG3 H 2.204 0.030 2 539 57 57 PRO HD2 H 3.934 0.030 2 540 57 57 PRO HD3 H 3.716 0.030 2 541 57 57 PRO C C 179.142 0.300 1 542 57 57 PRO CA C 65.972 0.300 1 543 57 57 PRO CB C 32.759 0.300 1 544 57 57 PRO CG C 29.633 0.300 1 545 57 57 PRO CD C 50.899 0.300 1 546 58 58 ALA H H 7.736 0.030 1 547 58 58 ALA HA H 4.073 0.030 1 548 58 58 ALA HB H 1.365 0.030 1 549 58 58 ALA C C 178.074 0.300 1 550 58 58 ALA CA C 54.753 0.300 1 551 58 58 ALA CB C 20.086 0.300 1 552 58 58 ALA N N 116.878 0.300 1 553 59 59 GLU H H 7.692 0.030 1 554 59 59 GLU HA H 3.905 0.030 1 555 59 59 GLU HB2 H 2.271 0.030 2 556 59 59 GLU HB3 H 2.133 0.030 2 557 59 59 GLU HG2 H 2.207 0.030 1 558 59 59 GLU HG3 H 2.207 0.030 1 559 59 59 GLU C C 178.791 0.300 1 560 59 59 GLU CA C 59.496 0.300 1 561 59 59 GLU CB C 30.425 0.300 1 562 59 59 GLU CG C 37.454 0.300 1 563 59 59 GLU N N 120.517 0.300 1 564 60 60 ARG H H 8.493 0.030 1 565 60 60 ARG HA H 4.051 0.030 1 566 60 60 ARG HB2 H 1.905 0.030 2 567 60 60 ARG HB3 H 1.810 0.030 2 568 60 60 ARG HG2 H 1.801 0.030 2 569 60 60 ARG HG3 H 1.695 0.030 2 570 60 60 ARG HD2 H 3.251 0.030 2 571 60 60 ARG HD3 H 3.057 0.030 2 572 60 60 ARG HE H 7.160 0.030 1 573 60 60 ARG C C 178.621 0.300 1 574 60 60 ARG CA C 58.839 0.300 1 575 60 60 ARG CB C 31.026 0.300 1 576 60 60 ARG CG C 28.509 0.300 1 577 60 60 ARG CD C 43.654 0.300 1 578 60 60 ARG N N 116.878 0.300 1 579 60 60 ARG NE N 84.526 0.300 1 580 61 61 CYS H H 7.648 0.030 1 581 61 61 CYS HA H 4.608 0.030 1 582 61 61 CYS HB2 H 3.141 0.030 2 583 61 61 CYS HB3 H 3.047 0.030 2 584 61 61 CYS C C 175.914 0.300 1 585 61 61 CYS CA C 59.742 0.300 1 586 61 61 CYS CB C 26.988 0.300 1 587 61 61 CYS N N 113.152 0.300 1 588 62 62 GLY H H 7.332 0.030 1 589 62 62 GLY HA2 H 4.138 0.030 2 590 62 62 GLY HA3 H 3.974 0.030 2 591 62 62 GLY C C 174.615 0.300 1 592 62 62 GLY CA C 47.079 0.300 1 593 62 62 GLY N N 110.254 0.300 1 594 63 63 VAL H H 7.291 0.030 1 595 63 63 VAL HA H 4.357 0.030 1 596 63 63 VAL HB H 2.175 0.030 1 597 63 63 VAL HG1 H 0.847 0.030 1 598 63 63 VAL HG2 H 0.773 0.030 1 599 63 63 VAL C C 174.809 0.300 1 600 63 63 VAL CA C 61.581 0.300 1 601 63 63 VAL CB C 32.890 0.300 1 602 63 63 VAL CG1 C 21.181 0.300 2 603 63 63 VAL CG2 C 20.061 0.300 2 604 63 63 VAL N N 113.347 0.300 1 605 64 64 LEU H H 7.783 0.030 1 606 64 64 LEU HA H 4.639 0.030 1 607 64 64 LEU HB2 H 1.630 0.030 2 608 64 64 LEU HB3 H 1.030 0.030 2 609 64 64 LEU HG H 1.582 0.030 1 610 64 64 LEU HD1 H 0.804 0.030 1 611 64 64 LEU HD2 H 0.804 0.030 1 612 64 64 LEU C C 175.671 0.300 1 613 64 64 LEU CA C 53.591 0.300 1 614 64 64 LEU CB C 44.584 0.300 1 615 64 64 LEU CG C 26.791 0.300 1 616 64 64 LEU CD1 C 26.619 0.300 2 617 64 64 LEU CD2 C 24.113 0.300 2 618 64 64 LEU N N 119.561 0.300 1 619 65 65 GLN H H 8.488 0.030 1 620 65 65 GLN HA H 4.444 0.030 1 621 65 65 GLN HB2 H 1.972 0.030 2 622 65 65 GLN HB3 H 1.893 0.030 2 623 65 65 GLN HG2 H 2.264 0.030 1 624 65 65 GLN HG3 H 2.264 0.030 1 625 65 65 GLN HE21 H 7.733 0.030 2 626 65 65 GLN HE22 H 6.712 0.030 2 627 65 65 GLN C C 174.967 0.300 1 628 65 65 GLN CA C 53.838 0.300 1 629 65 65 GLN CB C 32.595 0.300 1 630 65 65 GLN CG C 33.539 0.300 1 631 65 65 GLN N N 119.969 0.300 1 632 65 65 GLN NE2 N 112.773 0.300 1 633 66 66 ILE H H 8.448 0.030 1 634 66 66 ILE HA H 3.501 0.030 1 635 66 66 ILE HB H 1.730 0.030 1 636 66 66 ILE HG12 H 1.534 0.030 2 637 66 66 ILE HG13 H 0.948 0.030 2 638 66 66 ILE HG2 H 0.929 0.030 1 639 66 66 ILE HD1 H 0.868 0.030 1 640 66 66 ILE C C 177.686 0.300 1 641 66 66 ILE CA C 63.147 0.300 1 642 66 66 ILE CB C 37.106 0.300 1 643 66 66 ILE CG1 C 28.264 0.300 1 644 66 66 ILE CG2 C 17.203 0.300 1 645 66 66 ILE CD1 C 12.659 0.300 1 646 66 66 ILE N N 121.408 0.300 1 647 67 67 GLY H H 9.291 0.030 1 648 67 67 GLY HA2 H 4.608 0.030 2 649 67 67 GLY HA3 H 3.550 0.030 2 650 67 67 GLY C C 174.542 0.300 1 651 67 67 GLY CA C 44.691 0.300 1 652 67 67 GLY N N 115.849 0.300 1 653 68 68 ASP H H 7.883 0.030 1 654 68 68 ASP HA H 4.768 0.030 1 655 68 68 ASP HB2 H 2.756 0.030 2 656 68 68 ASP HB3 H 2.639 0.030 2 657 68 68 ASP C C 175.149 0.300 1 658 68 68 ASP CA C 55.562 0.300 1 659 68 68 ASP CB C 40.085 0.300 1 660 68 68 ASP N N 121.711 0.300 1 661 69 69 ARG H H 8.828 0.030 1 662 69 69 ARG HA H 4.903 0.030 1 663 69 69 ARG HB2 H 2.129 0.030 2 664 69 69 ARG HB3 H 1.630 0.030 2 665 69 69 ARG HG2 H 1.791 0.030 2 666 69 69 ARG HG3 H 1.749 0.030 2 667 69 69 ARG HD2 H 3.566 0.030 2 668 69 69 ARG HD3 H 3.159 0.030 2 669 69 69 ARG HE H 7.094 0.030 1 670 69 69 ARG C C 176.241 0.300 1 671 69 69 ARG CA C 56.460 0.300 1 672 69 69 ARG CB C 31.034 0.300 1 673 69 69 ARG CG C 29.043 0.300 1 674 69 69 ARG CD C 42.529 0.300 1 675 69 69 ARG N N 120.650 0.300 1 676 69 69 ARG NE N 82.902 0.300 1 677 70 70 VAL H H 8.552 0.030 1 678 70 70 VAL HA H 4.288 0.030 1 679 70 70 VAL HB H 1.923 0.030 1 680 70 70 VAL HG1 H 0.793 0.030 1 681 70 70 VAL HG2 H 0.793 0.030 1 682 70 70 VAL C C 174.796 0.300 1 683 70 70 VAL CA C 62.338 0.300 1 684 70 70 VAL CB C 31.494 0.300 1 685 70 70 VAL CG1 C 22.477 0.300 2 686 70 70 VAL CG2 C 21.400 0.300 2 687 70 70 VAL N N 121.771 0.300 1 688 71 71 MET H H 9.094 0.030 1 689 71 71 MET HA H 4.511 0.030 1 690 71 71 MET HB2 H 2.173 0.030 2 691 71 71 MET HB3 H 1.713 0.030 2 692 71 71 MET HG2 H 2.607 0.030 2 693 71 71 MET HG3 H 2.359 0.030 2 694 71 71 MET HE H 1.998 0.030 1 695 71 71 MET C C 178.220 0.300 1 696 71 71 MET CA C 55.182 0.300 1 697 71 71 MET CB C 31.726 0.300 1 698 71 71 MET CG C 31.917 0.300 1 699 71 71 MET CE C 16.249 0.300 1 700 71 71 MET N N 125.508 0.300 1 701 72 72 ALA H H 7.808 0.030 1 702 72 72 ALA HA H 5.015 0.030 1 703 72 72 ALA HB H 1.151 0.030 1 704 72 72 ALA C C 175.489 0.300 1 705 72 72 ALA CA C 52.897 0.300 1 706 72 72 ALA CB C 21.343 0.300 1 707 72 72 ALA N N 120.326 0.300 1 708 73 73 ILE H H 8.180 0.030 1 709 73 73 ILE HA H 4.438 0.030 1 710 73 73 ILE HB H 1.609 0.030 1 711 73 73 ILE HG12 H 1.319 0.030 2 712 73 73 ILE HG13 H 0.641 0.030 2 713 73 73 ILE HG2 H 0.609 0.030 1 714 73 73 ILE HD1 H 0.728 0.030 1 715 73 73 ILE C C 175.422 0.300 1 716 73 73 ILE CA C 60.737 0.300 1 717 73 73 ILE CB C 40.010 0.300 1 718 73 73 ILE CG1 C 27.388 0.300 1 719 73 73 ILE CG2 C 17.354 0.300 1 720 73 73 ILE CD1 C 14.067 0.300 1 721 73 73 ILE N N 119.185 0.300 1 722 74 74 ASN H H 9.769 0.030 1 723 74 74 ASN HA H 4.435 0.030 1 724 74 74 ASN HB2 H 3.151 0.030 2 725 74 74 ASN HB3 H 3.014 0.030 2 726 74 74 ASN HD21 H 7.699 0.030 2 727 74 74 ASN HD22 H 7.209 0.030 2 728 74 74 ASN C C 175.399 0.300 1 729 74 74 ASN CA C 54.059 0.300 1 730 74 74 ASN CB C 36.648 0.300 1 731 74 74 ASN N N 126.144 0.300 1 732 74 74 ASN ND2 N 112.736 0.300 1 733 75 75 GLY H H 9.250 0.030 1 734 75 75 GLY HA2 H 4.093 0.030 2 735 75 75 GLY HA3 H 3.508 0.030 2 736 75 75 GLY C C 173.874 0.300 1 737 75 75 GLY CA C 45.038 0.300 1 738 75 75 GLY N N 103.568 0.300 1 739 76 76 ILE H H 8.097 0.030 1 740 76 76 ILE HA H 4.494 0.030 1 741 76 76 ILE HB H 2.257 0.030 1 742 76 76 ILE HG12 H 1.548 0.030 2 743 76 76 ILE HG13 H 1.223 0.030 2 744 76 76 ILE HG2 H 0.926 0.030 1 745 76 76 ILE HD1 H 0.890 0.030 1 746 76 76 ILE C C 174.408 0.300 1 747 76 76 ILE CA C 57.719 0.300 1 748 76 76 ILE CB C 37.714 0.300 1 749 76 76 ILE CG1 C 27.092 0.300 1 750 76 76 ILE CG2 C 16.660 0.300 1 751 76 76 ILE CD1 C 12.086 0.300 1 752 76 76 ILE N N 125.578 0.300 1 753 77 77 PRO HA H 4.813 0.030 1 754 77 77 PRO HB2 H 2.601 0.030 2 755 77 77 PRO HB3 H 2.020 0.030 2 756 77 77 PRO HG2 H 2.213 0.030 2 757 77 77 PRO HG3 H 2.004 0.030 2 758 77 77 PRO HD2 H 4.205 0.030 2 759 77 77 PRO HD3 H 3.790 0.030 2 760 77 77 PRO CA C 62.741 0.300 1 761 77 77 PRO CB C 32.841 0.300 1 762 77 77 PRO CG C 27.917 0.300 1 763 77 77 PRO CD C 51.619 0.300 1 764 78 78 THR H H 8.131 0.030 1 765 78 78 THR HA H 4.288 0.030 1 766 78 78 THR HB H 4.344 0.030 1 767 78 78 THR HG2 H 1.031 0.030 1 768 78 78 THR CA C 62.367 0.300 1 769 78 78 THR CB C 68.517 0.300 1 770 78 78 THR CG2 C 22.280 0.300 1 771 78 78 THR N N 117.204 0.300 1 772 79 79 GLU H H 7.907 0.030 1 773 79 79 GLU HA H 4.175 0.030 1 774 79 79 GLU HB2 H 2.089 0.030 1 775 79 79 GLU HB3 H 2.089 0.030 1 776 79 79 GLU HG2 H 2.261 0.030 1 777 79 79 GLU HG3 H 2.261 0.030 1 778 79 79 GLU CA C 58.281 0.300 1 779 79 79 GLU CB C 29.689 0.300 1 780 79 79 GLU CG C 35.925 0.300 1 781 80 80 ASP H H 8.341 0.030 1 782 80 80 ASP HA H 4.205 0.030 1 783 80 80 ASP HB2 H 2.872 0.030 2 784 80 80 ASP HB3 H 2.674 0.030 2 785 80 80 ASP CA C 57.340 0.300 1 786 80 80 ASP CB C 41.175 0.300 1 787 80 80 ASP N N 121.933 0.300 1 788 81 81 SER HA H 4.284 0.030 1 789 81 81 SER HB2 H 3.979 0.030 2 790 81 81 SER HB3 H 3.841 0.030 2 791 81 81 SER CB C 64.963 0.300 1 792 82 82 THR H H 8.100 0.030 1 793 82 82 THR HA H 4.757 0.030 1 794 82 82 THR HB H 4.325 0.030 1 795 82 82 THR HG2 H 1.303 0.030 1 796 82 82 THR C C 174.772 0.300 1 797 82 82 THR CA C 59.170 0.300 1 798 82 82 THR CB C 62.175 0.300 1 799 82 82 THR CG2 C 22.028 0.300 1 800 83 83 PHE H H 9.021 0.030 1 801 83 83 PHE HA H 4.183 0.030 1 802 83 83 PHE HB2 H 3.280 0.030 2 803 83 83 PHE HB3 H 3.032 0.030 2 804 83 83 PHE HD1 H 7.219 0.030 1 805 83 83 PHE HD2 H 7.219 0.030 1 806 83 83 PHE HE1 H 7.270 0.030 1 807 83 83 PHE HE2 H 7.270 0.030 1 808 83 83 PHE C C 176.751 0.300 1 809 83 83 PHE CA C 61.725 0.300 1 810 83 83 PHE CB C 38.643 0.300 1 811 83 83 PHE CD1 C 131.756 0.300 1 812 83 83 PHE CD2 C 131.756 0.300 1 813 84 84 GLU H H 8.508 0.030 1 814 84 84 GLU HA H 3.905 0.030 1 815 84 84 GLU HB2 H 1.977 0.030 2 816 84 84 GLU HB3 H 1.935 0.030 2 817 84 84 GLU HG2 H 2.310 0.030 2 818 84 84 GLU HG3 H 2.227 0.030 2 819 84 84 GLU C C 179.470 0.300 1 820 84 84 GLU CA C 59.628 0.300 1 821 84 84 GLU CB C 29.045 0.300 1 822 84 84 GLU CG C 36.466 0.300 1 823 84 84 GLU N N 118.826 0.300 1 824 85 85 GLU H H 7.791 0.030 1 825 85 85 GLU HA H 3.994 0.030 1 826 85 85 GLU HB2 H 2.257 0.030 2 827 85 85 GLU HB3 H 2.013 0.030 2 828 85 85 GLU HG2 H 2.317 0.030 1 829 85 85 GLU HG3 H 2.317 0.030 1 830 85 85 GLU C C 179.094 0.300 1 831 85 85 GLU CA C 59.135 0.300 1 832 85 85 GLU CB C 29.701 0.300 1 833 85 85 GLU CG C 36.987 0.300 1 834 85 85 GLU N N 120.145 0.300 1 835 86 86 ALA H H 8.026 0.030 1 836 86 86 ALA HA H 3.987 0.030 1 837 86 86 ALA HB H 1.294 0.030 1 838 86 86 ALA C C 178.548 0.300 1 839 86 86 ALA CA C 55.210 0.300 1 840 86 86 ALA CB C 17.801 0.300 1 841 86 86 ALA N N 122.428 0.300 1 842 87 87 ASN H H 8.350 0.030 1 843 87 87 ASN HA H 4.307 0.030 1 844 87 87 ASN HB2 H 2.504 0.030 2 845 87 87 ASN HB3 H 2.293 0.030 2 846 87 87 ASN HD21 H 7.341 0.030 2 847 87 87 ASN HD22 H 6.531 0.030 2 848 87 87 ASN C C 178.402 0.300 1 849 87 87 ASN CA C 55.943 0.300 1 850 87 87 ASN CB C 38.684 0.300 1 851 87 87 ASN N N 114.572 0.300 1 852 87 87 ASN ND2 N 111.589 0.300 1 853 88 88 GLN H H 8.027 0.030 1 854 88 88 GLN HA H 3.919 0.030 1 855 88 88 GLN HB2 H 2.248 0.030 2 856 88 88 GLN HB3 H 2.166 0.030 2 857 88 88 GLN HG2 H 2.471 0.030 1 858 88 88 GLN HG3 H 2.471 0.030 1 859 88 88 GLN HE21 H 7.759 0.030 2 860 88 88 GLN HE22 H 6.680 0.030 2 861 88 88 GLN C C 177.746 0.300 1 862 88 88 GLN CA C 58.783 0.300 1 863 88 88 GLN CB C 27.893 0.300 1 864 88 88 GLN CG C 33.500 0.300 1 865 88 88 GLN N N 119.556 0.300 1 866 88 88 GLN NE2 N 112.041 0.300 1 867 89 89 LEU H H 7.713 0.030 1 868 89 89 LEU HA H 4.176 0.030 1 869 89 89 LEU HB2 H 2.037 0.030 2 870 89 89 LEU HB3 H 1.404 0.030 2 871 89 89 LEU HG H 1.855 0.030 1 872 89 89 LEU HD1 H 0.931 0.030 1 873 89 89 LEU HD2 H 0.913 0.030 1 874 89 89 LEU C C 180.004 0.300 1 875 89 89 LEU CA C 57.885 0.300 1 876 89 89 LEU CB C 42.226 0.300 1 877 89 89 LEU CG C 27.044 0.300 1 878 89 89 LEU CD1 C 23.616 0.300 2 879 89 89 LEU CD2 C 25.776 0.300 2 880 89 89 LEU N N 119.318 0.300 1 881 90 90 LEU H H 7.543 0.030 1 882 90 90 LEU HA H 4.180 0.030 1 883 90 90 LEU HB2 H 1.886 0.030 1 884 90 90 LEU HB3 H 1.886 0.030 1 885 90 90 LEU HG H 1.806 0.030 1 886 90 90 LEU HD1 H 0.836 0.030 1 887 90 90 LEU HD2 H 0.731 0.030 1 888 90 90 LEU C C 178.681 0.300 1 889 90 90 LEU CA C 57.252 0.300 1 890 90 90 LEU CB C 41.979 0.300 1 891 90 90 LEU CG C 27.039 0.300 1 892 90 90 LEU CD1 C 25.259 0.300 2 893 90 90 LEU CD2 C 24.129 0.300 2 894 90 90 LEU N N 117.291 0.300 1 895 91 91 ARG H H 8.063 0.030 1 896 91 91 ARG HA H 4.285 0.030 1 897 91 91 ARG HB2 H 1.993 0.030 1 898 91 91 ARG HB3 H 1.993 0.030 1 899 91 91 ARG HG2 H 1.858 0.030 2 900 91 91 ARG HG3 H 1.712 0.030 2 901 91 91 ARG HD2 H 3.246 0.030 1 902 91 91 ARG HD3 H 3.246 0.030 1 903 91 91 ARG HE H 7.261 0.030 1 904 91 91 ARG C C 178.973 0.300 1 905 91 91 ARG CA C 58.729 0.300 1 906 91 91 ARG CB C 30.547 0.300 1 907 91 91 ARG CG C 27.434 0.300 1 908 91 91 ARG CD C 43.654 0.300 1 909 91 91 ARG N N 119.744 0.300 1 910 91 91 ARG NE N 84.543 0.300 1 911 92 92 ASP H H 8.586 0.030 1 912 92 92 ASP HA H 4.700 0.030 1 913 92 92 ASP HB2 H 2.887 0.030 2 914 92 92 ASP HB3 H 2.784 0.030 2 915 92 92 ASP CA C 55.579 0.300 1 916 92 92 ASP CB C 40.087 0.300 1 917 92 92 ASP N N 120.877 0.300 1 918 93 93 SER H H 8.064 0.030 1 919 93 93 SER HA H 4.498 0.030 1 920 93 93 SER HB2 H 3.924 0.030 1 921 93 93 SER HB3 H 3.924 0.030 1 922 93 93 SER C C 176.059 0.300 1 923 93 93 SER CA C 60.543 0.300 1 924 93 93 SER CB C 63.292 0.300 1 925 93 93 SER N N 116.215 0.300 1 926 94 94 SER H H 8.285 0.030 1 927 94 94 SER HA H 4.117 0.030 1 928 94 94 SER HB2 H 3.920 0.030 1 929 94 94 SER HB3 H 3.920 0.030 1 930 94 94 SER C C 175.889 0.300 1 931 94 94 SER CA C 61.106 0.300 1 932 94 94 SER CB C 62.920 0.300 1 933 94 94 SER N N 116.844 0.300 1 934 95 95 ILE H H 7.615 0.030 1 935 95 95 ILE HA H 4.073 0.030 1 936 95 95 ILE HB H 2.069 0.030 1 937 95 95 ILE HG12 H 1.609 0.030 2 938 95 95 ILE HG13 H 1.315 0.030 2 939 95 95 ILE HG2 H 1.014 0.030 1 940 95 95 ILE HD1 H 0.938 0.030 1 941 95 95 ILE C C 177.103 0.300 1 942 95 95 ILE CA C 63.288 0.300 1 943 95 95 ILE CB C 38.149 0.300 1 944 95 95 ILE CG1 C 28.104 0.300 1 945 95 95 ILE CG2 C 17.557 0.300 1 946 95 95 ILE CD1 C 12.913 0.300 1 947 95 95 ILE N N 121.122 0.300 1 948 96 96 THR H H 7.788 0.030 1 949 96 96 THR HA H 4.469 0.030 1 950 96 96 THR HB H 4.447 0.030 1 951 96 96 THR HG2 H 1.330 0.030 1 952 96 96 THR C C 174.943 0.300 1 953 96 96 THR CA C 62.250 0.300 1 954 96 96 THR CB C 69.606 0.300 1 955 96 96 THR CG2 C 22.117 0.300 1 956 96 96 THR N N 112.580 0.300 1 957 97 97 SER H H 8.035 0.030 1 958 97 97 SER HA H 4.186 0.030 1 959 97 97 SER HB2 H 4.236 0.030 2 960 97 97 SER HB3 H 4.124 0.030 2 961 97 97 SER C C 172.757 0.300 1 962 97 97 SER CA C 61.141 0.300 1 963 97 97 SER CB C 63.357 0.300 1 964 97 97 SER N N 114.311 0.300 1 965 98 98 LYS H H 8.109 0.030 1 966 98 98 LYS HA H 5.652 0.030 1 967 98 98 LYS HB2 H 1.723 0.030 1 968 98 98 LYS HB3 H 1.723 0.030 1 969 98 98 LYS HG2 H 1.385 0.030 1 970 98 98 LYS HG3 H 1.385 0.030 1 971 98 98 LYS HD2 H 1.586 0.030 1 972 98 98 LYS HD3 H 1.586 0.030 1 973 98 98 LYS HE2 H 2.881 0.030 1 974 98 98 LYS HE3 H 2.881 0.030 1 975 98 98 LYS C C 174.955 0.300 1 976 98 98 LYS CA C 55.439 0.300 1 977 98 98 LYS CB C 36.358 0.300 1 978 98 98 LYS CG C 24.462 0.300 1 979 98 98 LYS CD C 29.447 0.300 1 980 98 98 LYS CE C 42.068 0.300 1 981 98 98 LYS N N 121.566 0.300 1 982 99 99 VAL H H 8.704 0.030 1 983 99 99 VAL HA H 4.889 0.030 1 984 99 99 VAL HB H 1.391 0.030 1 985 99 99 VAL HG1 H 0.007 0.030 1 986 99 99 VAL HG2 H 0.530 0.030 1 987 99 99 VAL C C 172.211 0.300 1 988 99 99 VAL CA C 59.540 0.300 1 989 99 99 VAL CB C 35.306 0.300 1 990 99 99 VAL CG1 C 19.424 0.300 2 991 99 99 VAL CG2 C 21.293 0.300 2 992 99 99 VAL N N 120.376 0.300 1 993 100 100 THR H H 8.207 0.030 1 994 100 100 THR HA H 4.950 0.030 1 995 100 100 THR HB H 3.976 0.030 1 996 100 100 THR HG2 H 1.038 0.030 1 997 100 100 THR C C 174.409 0.300 1 998 100 100 THR CA C 61.383 0.300 1 999 100 100 THR CB C 69.638 0.300 1 1000 100 100 THR CG2 C 21.473 0.300 1 1001 100 100 THR N N 120.779 0.300 1 1002 101 101 LEU H H 9.619 0.030 1 1003 101 101 LEU HA H 5.067 0.030 1 1004 101 101 LEU HB2 H 1.804 0.030 2 1005 101 101 LEU HB3 H 1.252 0.030 2 1006 101 101 LEU HG H 1.498 0.030 1 1007 101 101 LEU HD1 H 0.730 0.030 1 1008 101 101 LEU HD2 H 0.645 0.030 1 1009 101 101 LEU C C 175.125 0.300 1 1010 101 101 LEU CA C 53.072 0.300 1 1011 101 101 LEU CB C 44.866 0.300 1 1012 101 101 LEU CG C 26.748 0.300 1 1013 101 101 LEU CD1 C 25.030 0.300 2 1014 101 101 LEU CD2 C 26.214 0.300 2 1015 101 101 LEU N N 128.350 0.300 1 1016 102 102 GLU H H 8.305 0.030 1 1017 102 102 GLU HA H 5.088 0.030 1 1018 102 102 GLU HB2 H 2.053 0.030 2 1019 102 102 GLU HB3 H 1.885 0.030 2 1020 102 102 GLU HG2 H 2.218 0.030 2 1021 102 102 GLU HG3 H 2.050 0.030 2 1022 102 102 GLU C C 175.440 0.300 1 1023 102 102 GLU CA C 55.422 0.300 1 1024 102 102 GLU CB C 30.762 0.300 1 1025 102 102 GLU CG C 35.518 0.300 1 1026 102 102 GLU N N 123.636 0.300 1 1027 103 103 ILE H H 9.038 0.030 1 1028 103 103 ILE HA H 5.430 0.030 1 1029 103 103 ILE HB H 1.921 0.030 1 1030 103 103 ILE HG12 H 1.357 0.030 2 1031 103 103 ILE HG13 H 1.208 0.030 2 1032 103 103 ILE HG2 H 0.857 0.030 1 1033 103 103 ILE HD1 H 0.734 0.030 1 1034 103 103 ILE C C 174.651 0.300 1 1035 103 103 ILE CA C 57.604 0.300 1 1036 103 103 ILE CB C 40.949 0.300 1 1037 103 103 ILE CG1 C 26.115 0.300 1 1038 103 103 ILE CG2 C 18.164 0.300 1 1039 103 103 ILE CD1 C 13.356 0.300 1 1040 103 103 ILE N N 124.715 0.300 1 1041 104 104 GLU H H 8.975 0.030 1 1042 104 104 GLU HA H 5.314 0.030 1 1043 104 104 GLU HB2 H 2.065 0.030 2 1044 104 104 GLU HB3 H 1.942 0.030 2 1045 104 104 GLU HG2 H 2.183 0.030 2 1046 104 104 GLU HG3 H 2.114 0.030 2 1047 104 104 GLU C C 174.178 0.300 1 1048 104 104 GLU CA C 54.770 0.300 1 1049 104 104 GLU CB C 34.029 0.300 1 1050 104 104 GLU CG C 37.702 0.300 1 1051 104 104 GLU N N 124.413 0.300 1 1052 105 105 PHE H H 8.683 0.030 1 1053 105 105 PHE HA H 5.094 0.030 1 1054 105 105 PHE HB2 H 3.067 0.030 2 1055 105 105 PHE HB3 H 2.885 0.030 2 1056 105 105 PHE HD1 H 6.947 0.030 1 1057 105 105 PHE HD2 H 6.947 0.030 1 1058 105 105 PHE HE1 H 7.049 0.030 1 1059 105 105 PHE HE2 H 7.049 0.030 1 1060 105 105 PHE HZ H 7.181 0.030 1 1061 105 105 PHE C C 173.085 0.300 1 1062 105 105 PHE CA C 54.963 0.300 1 1063 105 105 PHE CB C 42.350 0.300 1 1064 105 105 PHE CD1 C 132.798 0.300 1 1065 105 105 PHE CD2 C 132.798 0.300 1 1066 105 105 PHE CE1 C 130.650 0.300 1 1067 105 105 PHE CE2 C 130.650 0.300 1 1068 105 105 PHE N N 122.486 0.300 1 1069 106 106 ASP H H 8.615 0.030 1 1070 106 106 ASP HA H 4.900 0.030 1 1071 106 106 ASP HB2 H 2.579 0.030 2 1072 106 106 ASP HB3 H 2.467 0.030 2 1073 106 106 ASP C C 176.217 0.300 1 1074 106 106 ASP CA C 53.838 0.300 1 1075 106 106 ASP CB C 41.837 0.300 1 1076 106 106 ASP N N 120.392 0.300 1 1077 107 107 VAL H H 8.611 0.030 1 1078 107 107 VAL HA H 4.140 0.030 1 1079 107 107 VAL HB H 1.488 0.030 1 1080 107 107 VAL HG1 H 0.885 0.030 1 1081 107 107 VAL HG2 H 0.771 0.030 1 1082 107 107 VAL C C 174.741 0.300 1 1083 107 107 VAL CA C 61.809 0.300 1 1084 107 107 VAL CB C 33.550 0.300 1 1085 107 107 VAL CG1 C 21.325 0.300 2 1086 107 107 VAL CG2 C 21.226 0.300 2 1087 107 107 VAL N N 122.466 0.300 1 1088 108 108 ALA H H 8.519 0.030 1 1089 108 108 ALA HA H 4.623 0.030 1 1090 108 108 ALA HB H 1.376 0.030 1 1091 108 108 ALA C C 177.552 0.300 1 1092 108 108 ALA CA C 51.836 0.300 1 1093 108 108 ALA CB C 19.803 0.300 1 1094 108 108 ALA N N 129.026 0.300 1 1095 109 109 GLU H H 8.474 0.030 1 1096 109 109 GLU HA H 4.397 0.030 1 1097 109 109 GLU HB2 H 2.082 0.030 2 1098 109 109 GLU HB3 H 1.944 0.030 2 1099 109 109 GLU HG2 H 2.305 0.030 1 1100 109 109 GLU HG3 H 2.305 0.030 1 1101 109 109 GLU C C 176.217 0.300 1 1102 109 109 GLU CA C 56.143 0.300 1 1103 109 109 GLU CB C 31.068 0.300 1 1104 109 109 GLU CG C 36.054 0.300 1 1105 109 109 GLU N N 121.214 0.300 1 1106 110 110 SER H H 8.472 0.030 1 1107 110 110 SER HA H 4.517 0.030 1 1108 110 110 SER HB2 H 3.868 0.030 1 1109 110 110 SER HB3 H 3.868 0.030 1 1110 110 110 SER C C 174.323 0.300 1 1111 110 110 SER CA C 58.491 0.300 1 1112 110 110 SER CB C 63.791 0.300 1 1113 110 110 SER N N 117.514 0.300 1 1114 111 111 VAL H H 8.228 0.030 1 1115 111 111 VAL HA H 4.156 0.030 1 1116 111 111 VAL HB H 2.058 0.030 1 1117 111 111 VAL HG1 H 0.940 0.030 1 1118 111 111 VAL HG2 H 0.933 0.030 1 1119 111 111 VAL C C 175.914 0.300 1 1120 111 111 VAL CA C 62.250 0.300 1 1121 111 111 VAL CB C 32.759 0.300 1 1122 111 111 VAL CG1 C 20.637 0.300 2 1123 111 111 VAL CG2 C 20.897 0.300 2 1124 111 111 VAL N N 122.497 0.300 1 1125 112 112 ILE H H 8.335 0.030 1 1126 112 112 ILE HA H 4.488 0.030 1 1127 112 112 ILE HB H 1.883 0.030 1 1128 112 112 ILE HG12 H 1.534 0.030 2 1129 112 112 ILE HG13 H 1.205 0.030 2 1130 112 112 ILE HG2 H 0.964 0.030 1 1131 112 112 ILE HD1 H 0.871 0.030 1 1132 112 112 ILE CA C 58.495 0.300 1 1133 112 112 ILE CB C 38.504 0.300 1 1134 112 112 ILE CG1 C 27.090 0.300 1 1135 112 112 ILE CG2 C 17.027 0.300 1 1136 112 112 ILE CD1 C 12.627 0.300 1 1137 112 112 ILE N N 126.971 0.300 1 1138 113 113 PRO HA H 4.462 0.030 1 1139 113 113 PRO HB2 H 2.336 0.030 2 1140 113 113 PRO HB3 H 1.971 0.030 2 1141 113 113 PRO HG2 H 2.067 0.030 2 1142 113 113 PRO HG3 H 2.003 0.030 2 1143 113 113 PRO HD2 H 3.948 0.030 2 1144 113 113 PRO HD3 H 3.731 0.030 2 1145 113 113 PRO C C 177.443 0.300 1 1146 113 113 PRO CA C 63.268 0.300 1 1147 113 113 PRO CB C 32.233 0.300 1 1148 113 113 PRO CG C 27.235 0.300 1 1149 113 113 PRO CD C 51.182 0.300 1 1150 114 114 SER H H 8.534 0.030 1 1151 114 114 SER HA H 4.524 0.030 1 1152 114 114 SER HB2 H 3.951 0.030 1 1153 114 114 SER HB3 H 3.951 0.030 1 1154 114 114 SER C C 174.700 0.300 1 1155 114 114 SER CA C 58.360 0.300 1 1156 114 114 SER CB C 64.075 0.300 1 1157 114 114 SER N N 116.429 0.300 1 1158 115 115 SER H H 8.330 0.030 1 1159 115 115 SER HA H 4.524 0.030 1 1160 115 115 SER HB2 H 3.905 0.030 1 1161 115 115 SER HB3 H 3.905 0.030 1 1162 115 115 SER C C 173.971 0.300 1 1163 115 115 SER CA C 58.395 0.300 1 1164 115 115 SER CB C 64.157 0.300 1 1165 115 115 SER N N 117.860 0.300 1 1166 116 116 GLY H H 8.060 0.030 1 1167 116 116 GLY HA2 H 3.822 0.030 2 1168 116 116 GLY HA3 H 3.785 0.030 2 1169 116 116 GLY C C 178.997 0.300 1 1170 116 116 GLY CA C 46.217 0.300 1 1171 116 116 GLY N N 116.899 0.300 1 stop_ save_