data_10250 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the PH domain of human Docking protein BRDG1 ; _BMRB_accession_number 10250 _BMRB_flat_file_name bmr10250.str _Entry_type new _Submission_date 2008-11-20 _Accession_date 2008-11-20 _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 Li H. . . 2 Tomizawa T. . . 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" 885 "13C chemical shifts" 673 "15N chemical shifts" 143 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-11-20 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the PH domain of human Docking protein BRDG1' _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 Li H. . . 2 Tomizawa T. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Signal-transducing adaptor protein 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PH 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 'PH domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 149 _Mol_residue_sequence ; GSSGSSGQERLKITALPLYF EGFLLIKRSGYREYEHYWTE LRGTTLFFYTDKKSIIYVDK LDIVDLTCLTEQNSTEKNCA KFTLVLPKEEVQLKTENTES GEEWRGFILTVTELSVPQNV SLLPGQVIKLHEVLEREKKR RIESGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLN 9 GLU 10 ARG 11 LEU 12 LYS 13 ILE 14 THR 15 ALA 16 LEU 17 PRO 18 LEU 19 TYR 20 PHE 21 GLU 22 GLY 23 PHE 24 LEU 25 LEU 26 ILE 27 LYS 28 ARG 29 SER 30 GLY 31 TYR 32 ARG 33 GLU 34 TYR 35 GLU 36 HIS 37 TYR 38 TRP 39 THR 40 GLU 41 LEU 42 ARG 43 GLY 44 THR 45 THR 46 LEU 47 PHE 48 PHE 49 TYR 50 THR 51 ASP 52 LYS 53 LYS 54 SER 55 ILE 56 ILE 57 TYR 58 VAL 59 ASP 60 LYS 61 LEU 62 ASP 63 ILE 64 VAL 65 ASP 66 LEU 67 THR 68 CYS 69 LEU 70 THR 71 GLU 72 GLN 73 ASN 74 SER 75 THR 76 GLU 77 LYS 78 ASN 79 CYS 80 ALA 81 LYS 82 PHE 83 THR 84 LEU 85 VAL 86 LEU 87 PRO 88 LYS 89 GLU 90 GLU 91 VAL 92 GLN 93 LEU 94 LYS 95 THR 96 GLU 97 ASN 98 THR 99 GLU 100 SER 101 GLY 102 GLU 103 GLU 104 TRP 105 ARG 106 GLY 107 PHE 108 ILE 109 LEU 110 THR 111 VAL 112 THR 113 GLU 114 LEU 115 SER 116 VAL 117 PRO 118 GLN 119 ASN 120 VAL 121 SER 122 LEU 123 LEU 124 PRO 125 GLY 126 GLN 127 VAL 128 ILE 129 LYS 130 LEU 131 HIS 132 GLU 133 VAL 134 LEU 135 GLU 136 ARG 137 GLU 138 LYS 139 LYS 140 ARG 141 ARG 142 ILE 143 GLU 144 SER 145 GLY 146 PRO 147 SER 148 SER 149 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-23 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1X1F "Solution Structure Of The Ph Domain Of Human Docking Protein Brdg1" 100.00 149 100.00 100.00 7.63e-102 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'Cell free synthesis' . . . . plasmid P040301-57 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.00 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name XWINNMR _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20031121 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B. A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.913 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 'Guentert, P.' . . stop_ loop_ _Task 'structure solution' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 296 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'PH 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 8 8 GLN HA H 4.221 0.030 1 2 8 8 GLN HB2 H 2.075 0.030 2 3 8 8 GLN HB3 H 2.010 0.030 2 4 8 8 GLN HE21 H 6.828 0.030 2 5 8 8 GLN HE22 H 7.499 0.030 2 6 8 8 GLN HG2 H 2.352 0.030 1 7 8 8 GLN HG3 H 2.352 0.030 1 8 8 8 GLN CA C 56.851 0.300 1 9 8 8 GLN CB C 28.887 0.300 1 10 8 8 GLN CG C 34.036 0.300 1 11 8 8 GLN NE2 N 112.217 0.300 1 12 9 9 GLU H H 8.480 0.030 1 13 9 9 GLU HA H 4.166 0.030 1 14 9 9 GLU HB2 H 2.040 0.030 1 15 9 9 GLU HB3 H 2.040 0.030 1 16 9 9 GLU HG2 H 2.323 0.030 1 17 9 9 GLU HG3 H 2.323 0.030 1 18 9 9 GLU CA C 58.333 0.300 1 19 9 9 GLU CB C 29.545 0.300 1 20 9 9 GLU CG C 36.290 0.300 1 21 9 9 GLU N N 121.149 0.300 1 22 10 10 ARG H H 8.336 0.030 1 23 10 10 ARG HA H 4.131 0.030 1 24 10 10 ARG HB2 H 1.726 0.030 1 25 10 10 ARG HB3 H 1.726 0.030 1 26 10 10 ARG HD2 H 3.150 0.030 2 27 10 10 ARG HD3 H 3.080 0.030 2 28 10 10 ARG HG2 H 1.638 0.030 1 29 10 10 ARG HG3 H 1.638 0.030 1 30 10 10 ARG C C 177.350 0.300 1 31 10 10 ARG CA C 57.731 0.300 1 32 10 10 ARG CB C 30.061 0.300 1 33 10 10 ARG CD C 43.399 0.300 1 34 10 10 ARG CG C 27.958 0.300 1 35 10 10 ARG N N 120.177 0.300 1 36 11 11 LEU H H 7.741 0.030 1 37 11 11 LEU HA H 4.219 0.030 1 38 11 11 LEU HB2 H 1.671 0.030 1 39 11 11 LEU HB3 H 1.671 0.030 1 40 11 11 LEU HD2 H 0.864 0.030 1 41 11 11 LEU HG H 1.601 0.030 1 42 11 11 LEU CA C 56.781 0.300 1 43 11 11 LEU CB C 41.875 0.300 1 44 11 11 LEU CD1 C 24.209 0.300 2 45 11 11 LEU CD2 C 24.263 0.300 2 46 11 11 LEU CG C 27.126 0.300 1 47 11 11 LEU N N 120.410 0.300 1 48 12 12 LYS H H 7.816 0.030 1 49 12 12 LYS HA H 4.091 0.030 1 50 12 12 LYS HB2 H 1.891 0.030 1 51 12 12 LYS HB3 H 1.891 0.030 1 52 12 12 LYS HD2 H 1.690 0.030 1 53 12 12 LYS HD3 H 1.690 0.030 1 54 12 12 LYS HE2 H 2.911 0.030 1 55 12 12 LYS HE3 H 2.911 0.030 1 56 12 12 LYS HG2 H 1.381 0.030 2 57 12 12 LYS HG3 H 1.550 0.030 2 58 12 12 LYS CA C 58.234 0.300 1 59 12 12 LYS CB C 32.530 0.300 1 60 12 12 LYS CD C 29.512 0.300 1 61 12 12 LYS CE C 42.223 0.300 1 62 12 12 LYS CG C 25.136 0.300 1 63 12 12 LYS N N 119.365 0.300 1 64 13 13 ILE H H 7.851 0.030 1 65 13 13 ILE HA H 3.951 0.030 1 66 13 13 ILE HB H 1.868 0.030 1 67 13 13 ILE HD1 H 0.866 0.030 1 68 13 13 ILE HG12 H 1.101 0.030 2 69 13 13 ILE HG13 H 1.583 0.030 2 70 13 13 ILE HG2 H 0.772 0.030 1 71 13 13 ILE C C 176.914 0.300 1 72 13 13 ILE CA C 62.713 0.300 1 73 13 13 ILE CB C 38.264 0.300 1 74 13 13 ILE CD1 C 13.859 0.300 1 75 13 13 ILE CG1 C 27.706 0.300 1 76 13 13 ILE CG2 C 17.642 0.300 1 77 14 14 THR H H 7.750 0.030 1 78 14 14 THR HA H 4.021 0.030 1 79 14 14 THR HG2 H 0.882 0.030 1 80 14 14 THR C C 174.818 0.300 1 81 14 14 THR CA C 63.172 0.300 1 82 14 14 THR CB C 68.985 0.300 1 83 14 14 THR CG2 C 21.485 0.300 1 84 14 14 THR N N 110.999 0.300 1 85 15 15 ALA H H 7.922 0.030 1 86 15 15 ALA HA H 4.141 0.030 1 87 15 15 ALA HB H 1.409 0.030 1 88 15 15 ALA C C 177.593 0.300 1 89 15 15 ALA CA C 53.007 0.300 1 90 15 15 ALA CB C 18.747 0.300 1 91 15 15 ALA N N 122.429 0.300 1 92 16 16 LEU H H 7.442 0.030 1 93 16 16 LEU HA H 4.653 0.030 1 94 16 16 LEU HB2 H 1.690 0.030 2 95 16 16 LEU HD1 H 1.073 0.030 1 96 16 16 LEU HD2 H 0.972 0.030 1 97 16 16 LEU HG H 1.701 0.030 1 98 16 16 LEU C C 173.182 0.300 1 99 16 16 LEU CA C 51.524 0.300 1 100 16 16 LEU CB C 45.831 0.300 1 101 16 16 LEU CD1 C 25.542 0.300 2 102 16 16 LEU CD2 C 24.080 0.300 2 103 16 16 LEU CG C 26.796 0.300 1 104 16 16 LEU N N 120.226 0.300 1 105 17 17 PRO HA H 4.140 0.030 1 106 17 17 PRO HB2 H 2.096 0.030 2 107 17 17 PRO HB3 H 1.723 0.030 2 108 17 17 PRO HD2 H 3.191 0.030 2 109 17 17 PRO HD3 H 3.771 0.030 2 110 17 17 PRO HG2 H 1.861 0.030 2 111 17 17 PRO HG3 H 2.047 0.030 2 112 17 17 PRO C C 174.296 0.300 1 113 17 17 PRO CA C 62.007 0.300 1 114 17 17 PRO CB C 32.013 0.300 1 115 17 17 PRO CD C 49.943 0.300 1 116 17 17 PRO CG C 27.052 0.300 1 117 18 18 LEU H H 8.071 0.030 1 118 18 18 LEU HA H 4.097 0.030 1 119 18 18 LEU HB2 H 1.827 0.030 2 120 18 18 LEU HB3 H 1.040 0.030 2 121 18 18 LEU HD1 H 0.732 0.030 1 122 18 18 LEU HD2 H 0.751 0.030 1 123 18 18 LEU HG H 1.191 0.030 1 124 18 18 LEU C C 176.974 0.300 1 125 18 18 LEU CA C 55.043 0.300 1 126 18 18 LEU CB C 42.376 0.300 1 127 18 18 LEU CD1 C 24.446 0.300 2 128 18 18 LEU CD2 C 26.013 0.300 2 129 18 18 LEU CG C 27.051 0.300 1 130 18 18 LEU N N 119.963 0.300 1 131 19 19 TYR H H 9.108 0.030 1 132 19 19 TYR HA H 5.121 0.030 1 133 19 19 TYR HB2 H 3.077 0.030 2 134 19 19 TYR HB3 H 2.764 0.030 2 135 19 19 TYR HD1 H 7.052 0.030 1 136 19 19 TYR HD2 H 7.052 0.030 1 137 19 19 TYR HE1 H 6.853 0.030 1 138 19 19 TYR HE2 H 6.853 0.030 1 139 19 19 TYR C C 174.515 0.300 1 140 19 19 TYR CA C 55.160 0.300 1 141 19 19 TYR CB C 39.292 0.300 1 142 19 19 TYR CD1 C 131.820 0.300 1 143 19 19 TYR CD2 C 131.820 0.300 1 144 19 19 TYR CE1 C 117.673 0.300 1 145 19 19 TYR CE2 C 117.673 0.300 1 146 19 19 TYR N N 127.955 0.300 1 147 20 20 PHE H H 7.560 0.030 1 148 20 20 PHE HA H 4.281 0.030 1 149 20 20 PHE HB2 H 1.622 0.030 2 150 20 20 PHE HB3 H 1.263 0.030 2 151 20 20 PHE HD1 H 5.457 0.030 1 152 20 20 PHE HD2 H 5.457 0.030 1 153 20 20 PHE HE1 H 6.018 0.030 1 154 20 20 PHE HE2 H 6.018 0.030 1 155 20 20 PHE HZ H 6.912 0.030 1 156 20 20 PHE C C 171.170 0.300 1 157 20 20 PHE CA C 57.031 0.300 1 158 20 20 PHE CB C 40.937 0.300 1 159 20 20 PHE CD1 C 130.608 0.300 1 160 20 20 PHE CD2 C 130.608 0.300 1 161 20 20 PHE CE1 C 130.503 0.300 1 162 20 20 PHE CE2 C 130.503 0.300 1 163 20 20 PHE CZ C 130.121 0.300 1 164 20 20 PHE N N 115.328 0.300 1 165 21 21 GLU H H 5.556 0.030 1 166 21 21 GLU HA H 5.191 0.030 1 167 21 21 GLU HB2 H 1.875 0.030 2 168 21 21 GLU HB3 H 1.441 0.030 2 169 21 21 GLU HG2 H 1.931 0.030 2 170 21 21 GLU HG3 H 1.860 0.030 2 171 21 21 GLU C C 173.024 0.300 1 172 21 21 GLU CA C 53.025 0.300 1 173 21 21 GLU CB C 31.760 0.300 1 174 21 21 GLU CG C 33.987 0.300 1 175 21 21 GLU N N 118.643 0.300 1 176 22 22 GLY H H 7.721 0.030 1 177 22 22 GLY HA2 H 4.024 0.030 2 178 22 22 GLY HA3 H 3.107 0.030 2 179 22 22 GLY C C 171.994 0.300 1 180 22 22 GLY CA C 45.013 0.300 1 181 22 22 GLY N N 106.155 0.300 1 182 23 23 PHE H H 8.881 0.030 1 183 23 23 PHE HA H 5.303 0.030 1 184 23 23 PHE HB2 H 3.118 0.030 2 185 23 23 PHE HB3 H 2.993 0.030 2 186 23 23 PHE HD1 H 7.384 0.030 1 187 23 23 PHE HD2 H 7.384 0.030 1 188 23 23 PHE HE1 H 7.588 0.030 1 189 23 23 PHE HE2 H 7.588 0.030 1 190 23 23 PHE HZ H 7.477 0.030 1 191 23 23 PHE C C 176.926 0.300 1 192 23 23 PHE CA C 60.013 0.300 1 193 23 23 PHE CB C 40.937 0.300 1 194 23 23 PHE CD1 C 132.360 0.300 1 195 23 23 PHE CD2 C 132.360 0.300 1 196 23 23 PHE CE1 C 132.229 0.300 1 197 23 23 PHE CE2 C 132.229 0.300 1 198 23 23 PHE CZ C 130.235 0.300 1 199 23 23 PHE N N 119.442 0.300 1 200 24 24 LEU H H 9.072 0.030 1 201 24 24 LEU HA H 4.562 0.030 1 202 24 24 LEU HB2 H 1.440 0.030 2 203 24 24 LEU HB3 H 1.262 0.030 2 204 24 24 LEU HD1 H -0.008 0.030 1 205 24 24 LEU HD2 H -0.181 0.030 1 206 24 24 LEU HG H 1.009 0.030 1 207 24 24 LEU C C 174.406 0.300 1 208 24 24 LEU CA C 54.437 0.300 1 209 24 24 LEU CB C 48.381 0.300 1 210 24 24 LEU CD1 C 23.870 0.300 2 211 24 24 LEU CD2 C 23.670 0.300 2 212 24 24 LEU CG C 26.831 0.300 1 213 24 24 LEU N N 122.488 0.300 1 214 25 25 LEU H H 8.120 0.030 1 215 25 25 LEU HA H 5.480 0.030 1 216 25 25 LEU HB2 H 1.660 0.030 2 217 25 25 LEU HB3 H 1.078 0.030 2 218 25 25 LEU HD1 H 0.595 0.030 1 219 25 25 LEU HD2 H 0.617 0.030 1 220 25 25 LEU HG H 1.412 0.030 1 221 25 25 LEU C C 176.175 0.300 1 222 25 25 LEU CA C 54.242 0.300 1 223 25 25 LEU CB C 42.576 0.300 1 224 25 25 LEU CD1 C 25.494 0.300 2 225 25 25 LEU CD2 C 24.986 0.300 2 226 25 25 LEU CG C 28.356 0.300 1 227 25 25 LEU N N 120.790 0.300 1 228 26 26 ILE H H 9.110 0.030 1 229 26 26 ILE HA H 5.232 0.030 1 230 26 26 ILE HB H 1.599 0.030 1 231 26 26 ILE HD1 H 0.461 0.030 1 232 26 26 ILE HG12 H 0.990 0.030 2 233 26 26 ILE HG13 H 1.102 0.030 2 234 26 26 ILE HG2 H 0.480 0.030 1 235 26 26 ILE C C 174.757 0.300 1 236 26 26 ILE CA C 57.613 0.300 1 237 26 26 ILE CB C 41.343 0.300 1 238 26 26 ILE CD1 C 12.849 0.300 1 239 26 26 ILE CG1 C 26.912 0.300 1 240 26 26 ILE CG2 C 16.411 0.300 1 241 26 26 ILE N N 120.679 0.300 1 242 27 27 LYS H H 9.150 0.030 1 243 27 27 LYS HA H 4.425 0.030 1 244 27 27 LYS HB2 H 0.333 0.030 2 245 27 27 LYS HB3 H 1.211 0.030 2 246 27 27 LYS HD2 H 0.980 0.030 2 247 27 27 LYS HD3 H 0.923 0.030 2 248 27 27 LYS HE2 H 2.283 0.030 2 249 27 27 LYS HE3 H 2.334 0.030 2 250 27 27 LYS HG2 H 0.968 0.030 2 251 27 27 LYS HG3 H 0.709 0.030 2 252 27 27 LYS C C 175.557 0.300 1 253 27 27 LYS CA C 56.095 0.300 1 254 27 27 LYS CB C 35.056 0.300 1 255 27 27 LYS CD C 29.378 0.300 1 256 27 27 LYS CE C 41.636 0.300 1 257 27 27 LYS CG C 25.185 0.300 1 258 27 27 LYS N N 127.778 0.300 1 259 28 28 ARG H H 5.868 0.030 1 260 28 28 ARG HA H 4.429 0.030 1 261 28 28 ARG HB2 H 1.989 0.030 2 262 28 28 ARG HB3 H 0.767 0.030 2 263 28 28 ARG HD2 H 2.981 0.030 2 264 28 28 ARG HD3 H 2.890 0.030 2 265 28 28 ARG HE H 7.940 0.030 1 266 28 28 ARG HG2 H 1.240 0.030 2 267 28 28 ARG HG3 H 1.149 0.030 2 268 28 28 ARG C C 176.078 0.300 1 269 28 28 ARG CA C 54.542 0.300 1 270 28 28 ARG CB C 31.602 0.300 1 271 28 28 ARG CD C 42.952 0.300 1 272 28 28 ARG CG C 27.983 0.300 1 273 28 28 ARG N N 124.548 0.300 1 274 28 28 ARG NE N 82.701 0.300 1 275 29 29 SER H H 9.067 0.030 1 276 29 29 SER HA H 4.181 0.030 1 277 29 29 SER HB2 H 4.002 0.030 2 278 29 29 SER HB3 H 3.951 0.030 2 279 29 29 SER C C 176.066 0.300 1 280 29 29 SER CA C 61.019 0.300 1 281 29 29 SER CB C 63.057 0.300 1 282 29 29 SER N N 116.823 0.300 1 283 30 30 GLY HA2 H 3.810 0.030 2 284 30 30 GLY HA3 H 4.172 0.030 2 285 30 30 GLY CA C 45.171 0.300 1 286 31 31 TYR H H 8.001 0.030 1 287 31 31 TYR HA H 4.729 0.030 1 288 31 31 TYR HB2 H 3.375 0.030 2 289 31 31 TYR HB3 H 3.291 0.030 2 290 31 31 TYR HD1 H 7.296 0.030 1 291 31 31 TYR HD2 H 7.296 0.030 1 292 31 31 TYR HE1 H 6.820 0.030 1 293 31 31 TYR HE2 H 6.820 0.030 1 294 31 31 TYR CB C 37.249 0.300 1 295 31 31 TYR CD1 C 131.810 0.300 1 296 31 31 TYR CD2 C 131.810 0.300 1 297 31 31 TYR CE1 C 118.886 0.300 1 298 31 31 TYR CE2 C 118.886 0.300 1 299 31 31 TYR N N 121.120 0.300 1 300 32 32 ARG HA H 4.204 0.030 1 301 32 32 ARG HB2 H 1.914 0.030 2 302 32 32 ARG HB3 H 1.822 0.030 2 303 32 32 ARG HD2 H 3.222 0.030 1 304 32 32 ARG HD3 H 3.222 0.030 1 305 32 32 ARG HG2 H 1.711 0.030 2 306 32 32 ARG HG3 H 1.651 0.030 2 307 32 32 ARG C C 176.066 0.300 1 308 32 32 ARG CA C 57.631 0.300 1 309 32 32 ARG CB C 30.861 0.300 1 310 32 32 ARG CD C 43.117 0.300 1 311 32 32 ARG CG C 27.407 0.300 1 312 33 33 GLU H H 7.700 0.030 1 313 33 33 GLU HA H 4.600 0.030 1 314 33 33 GLU HB2 H 2.107 0.030 2 315 33 33 GLU HB3 H 1.831 0.030 2 316 33 33 GLU HG2 H 2.192 0.030 2 317 33 33 GLU HG3 H 2.418 0.030 2 318 33 33 GLU C C 175.569 0.300 1 319 33 33 GLU CA C 53.695 0.300 1 320 33 33 GLU CB C 33.000 0.300 1 321 33 33 GLU CG C 35.632 0.300 1 322 33 33 GLU N N 115.988 0.300 1 323 34 34 TYR H H 8.755 0.030 1 324 34 34 TYR HA H 4.311 0.030 1 325 34 34 TYR HB2 H 2.799 0.030 2 326 34 34 TYR HB3 H 2.593 0.030 2 327 34 34 TYR HD1 H 6.950 0.030 1 328 34 34 TYR HD2 H 6.950 0.030 1 329 34 34 TYR HE1 H 6.516 0.030 1 330 34 34 TYR HE2 H 6.516 0.030 1 331 34 34 TYR C C 176.999 0.300 1 332 34 34 TYR CA C 59.537 0.300 1 333 34 34 TYR CB C 39.744 0.300 1 334 34 34 TYR CD1 C 134.076 0.300 1 335 34 34 TYR CD2 C 134.076 0.300 1 336 34 34 TYR CE1 C 118.159 0.300 1 337 34 34 TYR CE2 C 118.159 0.300 1 338 34 34 TYR N N 118.663 0.300 1 339 35 35 GLU H H 9.024 0.030 1 340 35 35 GLU HA H 4.401 0.030 1 341 35 35 GLU HB2 H 1.310 0.030 2 342 35 35 GLU HB3 H 1.181 0.030 2 343 35 35 GLU HG2 H 2.052 0.030 2 344 35 35 GLU HG3 H 1.945 0.030 2 345 35 35 GLU C C 174.406 0.300 1 346 35 35 GLU CA C 54.330 0.300 1 347 35 35 GLU CB C 31.972 0.300 1 348 35 35 GLU CG C 35.303 0.300 1 349 35 35 GLU N N 122.488 0.300 1 350 36 36 HIS H H 8.639 0.030 1 351 36 36 HIS HA H 4.980 0.030 1 352 36 36 HIS HB2 H 3.221 0.030 2 353 36 36 HIS HB3 H 2.824 0.030 2 354 36 36 HIS HD2 H 6.811 0.030 1 355 36 36 HIS HE1 H 7.270 0.030 1 356 36 36 HIS C C 174.127 0.300 1 357 36 36 HIS CA C 55.607 0.300 1 358 36 36 HIS CB C 31.396 0.300 1 359 36 36 HIS CD2 C 119.191 0.300 1 360 36 36 HIS CE1 C 137.701 0.300 1 361 36 36 HIS N N 123.767 0.300 1 362 37 37 TYR H H 8.931 0.030 1 363 37 37 TYR HA H 5.668 0.030 1 364 37 37 TYR HB2 H 3.410 0.030 2 365 37 37 TYR HB3 H 2.561 0.030 2 366 37 37 TYR HD1 H 6.784 0.030 1 367 37 37 TYR HD2 H 6.784 0.030 1 368 37 37 TYR HE1 H 6.490 0.030 1 369 37 37 TYR HE2 H 6.490 0.030 1 370 37 37 TYR C C 177.969 0.300 1 371 37 37 TYR CA C 55.407 0.300 1 372 37 37 TYR CB C 42.089 0.300 1 373 37 37 TYR CD1 C 132.438 0.300 1 374 37 37 TYR CD2 C 132.438 0.300 1 375 37 37 TYR CE1 C 117.504 0.300 1 376 37 37 TYR CE2 C 117.504 0.300 1 377 37 37 TYR N N 124.075 0.300 1 378 38 38 TRP H H 8.931 0.030 1 379 38 38 TRP HA H 4.329 0.030 1 380 38 38 TRP HB2 H 2.883 0.030 2 381 38 38 TRP HB3 H 2.708 0.030 2 382 38 38 TRP HD1 H 6.512 0.030 1 383 38 38 TRP HE1 H 10.428 0.030 1 384 38 38 TRP HE3 H 5.359 0.030 1 385 38 38 TRP HH2 H 6.945 0.030 1 386 38 38 TRP HZ2 H 7.090 0.030 1 387 38 38 TRP HZ3 H 6.682 0.030 1 388 38 38 TRP C C 174.345 0.300 1 389 38 38 TRP CA C 58.230 0.300 1 390 38 38 TRP CB C 28.846 0.300 1 391 38 38 TRP CD1 C 125.861 0.300 1 392 38 38 TRP CE3 C 120.381 0.300 1 393 38 38 TRP CH2 C 123.374 0.300 1 394 38 38 TRP CZ2 C 114.235 0.300 1 395 38 38 TRP CZ3 C 121.742 0.300 1 396 38 38 TRP N N 125.317 0.300 1 397 38 38 TRP NE1 N 129.552 0.300 1 398 39 39 THR H H 8.366 0.030 1 399 39 39 THR HA H 5.535 0.030 1 400 39 39 THR HB H 3.893 0.030 1 401 39 39 THR HG2 H 0.851 0.030 1 402 39 39 THR C C 173.303 0.300 1 403 39 39 THR CA C 62.037 0.300 1 404 39 39 THR CB C 70.295 0.300 1 405 39 39 THR CG2 C 22.390 0.300 1 406 39 39 THR N N 127.024 0.300 1 407 40 40 GLU H H 8.902 0.030 1 408 40 40 GLU HA H 4.816 0.030 1 409 40 40 GLU HB2 H 2.320 0.030 2 410 40 40 GLU HB3 H 1.757 0.030 2 411 40 40 GLU HG2 H 2.404 0.030 2 412 40 40 GLU HG3 H 2.233 0.030 2 413 40 40 GLU C C 175.351 0.300 1 414 40 40 GLU CA C 53.607 0.300 1 415 40 40 GLU CB C 34.639 0.300 1 416 40 40 GLU CG C 36.208 0.300 1 417 40 40 GLU N N 120.613 0.300 1 418 41 41 LEU H H 8.910 0.030 1 419 41 41 LEU HA H 5.168 0.030 1 420 41 41 LEU HB2 H 1.911 0.030 2 421 41 41 LEU HB3 H 1.421 0.030 2 422 41 41 LEU HD1 H 1.011 0.030 1 423 41 41 LEU HD2 H 0.789 0.030 1 424 41 41 LEU HG H 1.721 0.030 1 425 41 41 LEU C C 174.806 0.300 1 426 41 41 LEU CA C 53.872 0.300 1 427 41 41 LEU CB C 43.610 0.300 1 428 41 41 LEU CD1 C 27.315 0.300 2 429 41 41 LEU CD2 C 21.943 0.300 2 430 41 41 LEU CG C 28.116 0.300 1 431 41 41 LEU N N 123.682 0.300 1 432 42 42 ARG H H 9.150 0.030 1 433 42 42 ARG HA H 5.182 0.030 1 434 42 42 ARG HB2 H 1.709 0.030 2 435 42 42 ARG HB3 H 1.301 0.030 2 436 42 42 ARG HG2 H 1.101 0.030 2 437 42 42 ARG HG3 H 1.414 0.030 2 438 42 42 ARG C C 176.272 0.300 1 439 42 42 ARG CA C 53.643 0.300 1 440 42 42 ARG CB C 33.205 0.300 1 441 42 42 ARG CD C 42.623 0.300 1 442 42 42 ARG CG C 29.105 0.300 1 443 42 42 ARG N N 127.645 0.300 1 444 43 43 GLY H H 6.304 0.030 1 445 43 43 GLY HA2 H 3.917 0.030 2 446 43 43 GLY HA3 H 3.812 0.030 2 447 43 43 GLY C C 171.630 0.300 1 448 43 43 GLY CA C 47.025 0.300 1 449 43 43 GLY N N 112.565 0.300 1 450 44 44 THR H H 7.841 0.030 1 451 44 44 THR HA H 4.313 0.030 1 452 44 44 THR HB H 4.449 0.030 1 453 44 44 THR HG2 H 1.090 0.030 1 454 44 44 THR C C 172.515 0.300 1 455 44 44 THR CA C 60.207 0.300 1 456 44 44 THR CB C 68.320 0.300 1 457 44 44 THR CG2 C 21.814 0.300 1 458 44 44 THR N N 111.769 0.300 1 459 45 45 THR H H 8.500 0.030 1 460 45 45 THR HA H 4.664 0.030 1 461 45 45 THR HB H 3.819 0.030 1 462 45 45 THR HG2 H -0.186 0.030 1 463 45 45 THR C C 172.224 0.300 1 464 45 45 THR CA C 62.413 0.300 1 465 45 45 THR CB C 69.848 0.300 1 466 45 45 THR CG2 C 21.485 0.300 1 467 45 45 THR N N 118.681 0.300 1 468 46 46 LEU H H 8.391 0.030 1 469 46 46 LEU HA H 4.892 0.030 1 470 46 46 LEU HB2 H 1.393 0.030 2 471 46 46 LEU HB3 H 0.488 0.030 2 472 46 46 LEU HD1 H 0.761 0.030 1 473 46 46 LEU HD2 H 0.750 0.030 1 474 46 46 LEU HG H 1.559 0.030 1 475 46 46 LEU C C 174.260 0.300 1 476 46 46 LEU CA C 52.654 0.300 1 477 46 46 LEU CB C 42.911 0.300 1 478 46 46 LEU CD1 C 25.697 0.300 2 479 46 46 LEU CD2 C 24.976 0.300 2 480 46 46 LEU CG C 26.420 0.300 1 481 46 46 LEU N N 125.559 0.300 1 482 47 47 PHE H H 9.131 0.030 1 483 47 47 PHE HA H 3.940 0.030 1 484 47 47 PHE HB2 H 2.879 0.030 2 485 47 47 PHE HB3 H 2.331 0.030 2 486 47 47 PHE HD1 H 6.324 0.030 1 487 47 47 PHE HD2 H 6.324 0.030 1 488 47 47 PHE HE1 H 6.919 0.030 1 489 47 47 PHE HE2 H 6.919 0.030 1 490 47 47 PHE HZ H 7.109 0.030 1 491 47 47 PHE C C 173.363 0.300 1 492 47 47 PHE CA C 57.454 0.300 1 493 47 47 PHE CB C 42.747 0.300 1 494 47 47 PHE CD1 C 131.860 0.300 1 495 47 47 PHE CD2 C 131.860 0.300 1 496 47 47 PHE CE1 C 131.140 0.300 1 497 47 47 PHE CE2 C 131.140 0.300 1 498 47 47 PHE CZ C 129.483 0.300 1 499 47 47 PHE N N 121.095 0.300 1 500 48 48 PHE H H 7.881 0.030 1 501 48 48 PHE HA H 5.021 0.030 1 502 48 48 PHE HB2 H 2.013 0.030 2 503 48 48 PHE HB3 H 1.741 0.030 2 504 48 48 PHE HD1 H 6.863 0.030 1 505 48 48 PHE HD2 H 6.863 0.030 1 506 48 48 PHE HE1 H 6.804 0.030 1 507 48 48 PHE HE2 H 6.804 0.030 1 508 48 48 PHE HZ H 6.640 0.030 1 509 48 48 PHE C C 173.727 0.300 1 510 48 48 PHE CA C 56.166 0.300 1 511 48 48 PHE CB C 39.169 0.300 1 512 48 48 PHE CD1 C 132.005 0.300 1 513 48 48 PHE CD2 C 132.005 0.300 1 514 48 48 PHE CE1 C 130.529 0.300 1 515 48 48 PHE CE2 C 130.529 0.300 1 516 48 48 PHE CZ C 128.310 0.300 1 517 48 48 PHE N N 120.063 0.300 1 518 49 49 TYR H H 9.972 0.030 1 519 49 49 TYR HA H 5.190 0.030 1 520 49 49 TYR HB2 H 3.423 0.030 2 521 49 49 TYR HB3 H 3.367 0.030 2 522 49 49 TYR HD1 H 7.269 0.030 1 523 49 49 TYR HD2 H 7.269 0.030 1 524 49 49 TYR HE1 H 6.541 0.030 1 525 49 49 TYR HE2 H 6.541 0.030 1 526 49 49 TYR C C 176.587 0.300 1 527 49 49 TYR CA C 56.254 0.300 1 528 49 49 TYR CB C 41.842 0.300 1 529 49 49 TYR CD1 C 134.354 0.300 1 530 49 49 TYR CD2 C 134.354 0.300 1 531 49 49 TYR CE1 C 118.591 0.300 1 532 49 49 TYR CE2 C 118.591 0.300 1 533 49 49 TYR N N 121.415 0.300 1 534 50 50 THR H H 9.511 0.030 1 535 50 50 THR HA H 4.571 0.030 1 536 50 50 THR HB H 4.458 0.030 1 537 50 50 THR HG2 H 1.525 0.030 1 538 50 50 THR C C 174.793 0.300 1 539 50 50 THR CA C 65.361 0.300 1 540 50 50 THR CB C 69.043 0.300 1 541 50 50 THR CG2 C 22.801 0.300 1 542 50 50 THR N N 114.446 0.300 1 543 51 51 ASP H H 7.828 0.030 1 544 51 51 ASP HA H 4.803 0.030 1 545 51 51 ASP HB2 H 2.969 0.030 2 546 51 51 ASP HB3 H 2.917 0.030 2 547 51 51 ASP C C 174.685 0.300 1 548 51 51 ASP CA C 53.254 0.300 1 549 51 51 ASP CB C 43.586 0.300 1 550 51 51 ASP N N 115.656 0.300 1 551 52 52 LYS H H 8.271 0.030 1 552 52 52 LYS HA H 2.800 0.030 1 553 52 52 LYS HB2 H 0.832 0.030 2 554 52 52 LYS HB3 H 0.680 0.030 2 555 52 52 LYS HD2 H 0.910 0.030 2 556 52 52 LYS HD3 H 1.000 0.030 2 557 52 52 LYS HE2 H 2.290 0.030 2 558 52 52 LYS HE3 H 2.326 0.030 2 559 52 52 LYS HG2 H 0.198 0.030 2 560 52 52 LYS HG3 H 0.050 0.030 2 561 52 52 LYS C C 176.671 0.300 1 562 52 52 LYS CA C 58.372 0.300 1 563 52 52 LYS CB C 32.178 0.300 1 564 52 52 LYS CD C 29.098 0.300 1 565 52 52 LYS CE C 41.636 0.300 1 566 52 52 LYS CG C 24.116 0.300 1 567 52 52 LYS N N 119.009 0.300 1 568 53 53 LYS H H 8.068 0.030 1 569 53 53 LYS HA H 4.109 0.030 1 570 53 53 LYS HB2 H 1.671 0.030 2 571 53 53 LYS HB3 H 1.793 0.030 2 572 53 53 LYS HD2 H 1.571 0.030 1 573 53 53 LYS HD3 H 1.571 0.030 1 574 53 53 LYS HE2 H 2.901 0.030 1 575 53 53 LYS HE3 H 2.901 0.030 1 576 53 53 LYS HG2 H 1.231 0.030 2 577 53 53 LYS HG3 H 1.270 0.030 2 578 53 53 LYS C C 176.950 0.300 1 579 53 53 LYS CA C 55.830 0.300 1 580 53 53 LYS CB C 32.301 0.300 1 581 53 53 LYS CD C 28.887 0.300 1 582 53 53 LYS CE C 42.083 0.300 1 583 53 53 LYS CG C 24.857 0.300 1 584 53 53 LYS N N 116.395 0.300 1 585 54 54 SER H H 7.549 0.030 1 586 54 54 SER HA H 4.316 0.030 1 587 54 54 SER HB2 H 4.110 0.030 2 588 54 54 SER HB3 H 4.202 0.030 2 589 54 54 SER C C 174.394 0.300 1 590 54 54 SER CA C 59.395 0.300 1 591 54 54 SER CB C 64.337 0.300 1 592 54 54 SER N N 116.653 0.300 1 593 55 55 ILE H H 8.424 0.030 1 594 55 55 ILE HA H 4.267 0.030 1 595 55 55 ILE HB H 2.040 0.030 1 596 55 55 ILE HD1 H 0.866 0.030 1 597 55 55 ILE HG12 H 1.226 0.030 2 598 55 55 ILE HG13 H 1.424 0.030 2 599 55 55 ILE HG2 H 0.909 0.030 1 600 55 55 ILE C C 174.999 0.300 1 601 55 55 ILE CA C 62.213 0.300 1 602 55 55 ILE CB C 38.728 0.300 1 603 55 55 ILE CD1 C 13.589 0.300 1 604 55 55 ILE CG1 C 26.986 0.300 1 605 55 55 ILE CG2 C 18.153 0.300 1 606 55 55 ILE N N 118.660 0.300 1 607 56 56 ILE H H 7.771 0.030 1 608 56 56 ILE HA H 4.561 0.030 1 609 56 56 ILE HB H 1.771 0.030 1 610 56 56 ILE HD1 H 0.802 0.030 1 611 56 56 ILE HG12 H 1.120 0.030 2 612 56 56 ILE HG13 H 1.441 0.030 2 613 56 56 ILE HG2 H 0.773 0.030 1 614 56 56 ILE C C 175.266 0.300 1 615 56 56 ILE CA C 59.342 0.300 1 616 56 56 ILE CB C 39.506 0.300 1 617 56 56 ILE CD1 C 12.634 0.300 1 618 56 56 ILE CG1 C 27.109 0.300 1 619 56 56 ILE CG2 C 17.250 0.300 1 620 56 56 ILE N N 119.568 0.300 1 621 57 57 TYR H H 7.251 0.030 1 622 57 57 TYR HA H 4.261 0.030 1 623 57 57 TYR HB2 H 3.102 0.030 2 624 57 57 TYR HB3 H 1.958 0.030 2 625 57 57 TYR HD1 H 6.784 0.030 1 626 57 57 TYR HD2 H 6.784 0.030 1 627 57 57 TYR HE1 H 6.753 0.030 1 628 57 57 TYR HE2 H 6.753 0.030 1 629 57 57 TYR C C 174.902 0.300 1 630 57 57 TYR CA C 56.201 0.300 1 631 57 57 TYR CB C 37.230 0.300 1 632 57 57 TYR CD1 C 134.512 0.300 1 633 57 57 TYR CD2 C 134.512 0.300 1 634 57 57 TYR CE1 C 118.285 0.300 1 635 57 57 TYR CE2 C 118.285 0.300 1 636 58 58 VAL H H 9.157 0.030 1 637 58 58 VAL HA H 4.251 0.030 1 638 58 58 VAL HB H 2.104 0.030 1 639 58 58 VAL HG1 H 1.016 0.030 1 640 58 58 VAL HG2 H 0.963 0.030 1 641 58 58 VAL C C 175.812 0.300 1 642 58 58 VAL CA C 62.360 0.300 1 643 58 58 VAL CB C 33.123 0.300 1 644 58 58 VAL CG1 C 21.601 0.300 2 645 58 58 VAL CG2 C 20.638 0.300 2 646 58 58 VAL N N 116.888 0.300 1 647 59 59 ASP H H 7.990 0.030 1 648 59 59 ASP HA H 4.970 0.030 1 649 59 59 ASP HB2 H 2.961 0.030 2 650 59 59 ASP HB3 H 2.381 0.030 2 651 59 59 ASP C C 172.346 0.300 1 652 59 59 ASP CA C 52.601 0.300 1 653 59 59 ASP CB C 42.952 0.300 1 654 59 59 ASP N N 117.301 0.300 1 655 60 60 LYS H H 8.991 0.030 1 656 60 60 LYS HA H 4.761 0.030 1 657 60 60 LYS HB2 H 1.110 0.030 2 658 60 60 LYS HB3 H 0.601 0.030 2 659 60 60 LYS HD2 H 1.221 0.030 2 660 60 60 LYS HD3 H 1.118 0.030 2 661 60 60 LYS HE2 H 2.936 0.030 2 662 60 60 LYS HE3 H 2.898 0.030 2 663 60 60 LYS HG2 H 0.811 0.030 2 664 60 60 LYS HG3 H 1.140 0.030 2 665 60 60 LYS C C 173.666 0.300 1 666 60 60 LYS CA C 54.718 0.300 1 667 60 60 LYS CB C 35.097 0.300 1 668 60 60 LYS CD C 29.957 0.300 1 669 60 60 LYS CE C 42.705 0.300 1 670 60 60 LYS CG C 22.601 0.300 1 671 60 60 LYS N N 118.648 0.300 1 672 61 61 LEU H H 8.702 0.030 1 673 61 61 LEU HA H 4.462 0.030 1 674 61 61 LEU HB2 H 1.663 0.030 2 675 61 61 LEU HB3 H 1.240 0.030 2 676 61 61 LEU HD1 H 0.713 0.030 1 677 61 61 LEU HD2 H 0.832 0.030 1 678 61 61 LEU HG H 1.251 0.030 1 679 61 61 LEU C C 173.630 0.300 1 680 61 61 LEU CA C 54.065 0.300 1 681 61 61 LEU CB C 47.032 0.300 1 682 61 61 LEU CD1 C 27.051 0.300 2 683 61 61 LEU CD2 C 23.311 0.300 2 684 61 61 LEU CG C 26.766 0.300 1 685 61 61 LEU N N 121.890 0.300 1 686 62 62 ASP H H 8.868 0.030 1 687 62 62 ASP HA H 4.841 0.030 1 688 62 62 ASP HB2 H 2.741 0.030 2 689 62 62 ASP HB3 H 2.338 0.030 2 690 62 62 ASP C C 178.029 0.300 1 691 62 62 ASP CA C 53.819 0.300 1 692 62 62 ASP CB C 40.772 0.300 1 693 62 62 ASP N N 128.697 0.300 1 694 63 63 ILE H H 9.261 0.030 1 695 63 63 ILE HA H 4.554 0.030 1 696 63 63 ILE HB H 2.275 0.030 1 697 63 63 ILE HD1 H 0.780 0.030 1 698 63 63 ILE HG12 H 1.121 0.030 2 699 63 63 ILE HG13 H 1.261 0.030 2 700 63 63 ILE HG2 H 0.811 0.030 1 701 63 63 ILE C C 175.617 0.300 1 702 63 63 ILE CA C 60.736 0.300 1 703 63 63 ILE CB C 38.364 0.300 1 704 63 63 ILE CD1 C 16.221 0.300 1 705 63 63 ILE CG1 C 26.013 0.300 1 706 63 63 ILE CG2 C 18.259 0.300 1 707 63 63 ILE N N 120.253 0.300 1 708 64 64 VAL H H 8.010 0.030 1 709 64 64 VAL HA H 3.781 0.030 1 710 64 64 VAL HB H 2.442 0.030 1 711 64 64 VAL HG1 H 1.050 0.030 1 712 64 64 VAL HG2 H 0.800 0.030 1 713 64 64 VAL C C 174.878 0.300 1 714 64 64 VAL CA C 65.572 0.300 1 715 64 64 VAL CB C 30.532 0.300 1 716 64 64 VAL CG1 C 21.978 0.300 2 717 64 64 VAL CG2 C 18.746 0.300 2 718 64 64 VAL N N 122.413 0.300 1 719 65 65 ASP H H 8.391 0.030 1 720 65 65 ASP HA H 4.841 0.030 1 721 65 65 ASP HB2 H 2.796 0.030 2 722 65 65 ASP HB3 H 2.549 0.030 2 723 65 65 ASP C C 174.854 0.300 1 724 65 65 ASP CA C 53.483 0.300 1 725 65 65 ASP CB C 40.114 0.300 1 726 65 65 ASP N N 119.308 0.300 1 727 66 66 LEU H H 7.517 0.030 1 728 66 66 LEU HA H 3.962 0.030 1 729 66 66 LEU HB2 H 1.933 0.030 2 730 66 66 LEU HB3 H 1.830 0.030 2 731 66 66 LEU HD1 H 0.955 0.030 1 732 66 66 LEU HD2 H 0.829 0.030 1 733 66 66 LEU HG H 1.451 0.030 1 734 66 66 LEU C C 176.708 0.300 1 735 66 66 LEU CA C 57.471 0.300 1 736 66 66 LEU CB C 43.322 0.300 1 737 66 66 LEU CD1 C 26.713 0.300 2 738 66 66 LEU CD2 C 27.051 0.300 2 739 66 66 LEU CG C 26.626 0.300 1 740 66 66 LEU N N 120.009 0.300 1 741 67 67 THR H H 9.329 0.030 1 742 67 67 THR HA H 4.363 0.030 1 743 67 67 THR HB H 4.078 0.030 1 744 67 67 THR HG2 H 1.233 0.030 1 745 67 67 THR C C 175.145 0.300 1 746 67 67 THR CA C 64.019 0.300 1 747 67 67 THR CB C 69.107 0.300 1 748 67 67 THR CG2 C 22.225 0.300 1 749 67 67 THR N N 123.534 0.300 1 750 68 68 CYS H H 7.584 0.030 1 751 68 68 CYS HA H 4.604 0.030 1 752 68 68 CYS HB2 H 2.947 0.030 2 753 68 68 CYS HB3 H 3.039 0.030 2 754 68 68 CYS C C 170.528 0.300 1 755 68 68 CYS CA C 57.402 0.300 1 756 68 68 CYS CB C 29.175 0.300 1 757 68 68 CYS N N 115.015 0.300 1 758 69 69 LEU H H 8.730 0.030 1 759 69 69 LEU HA H 5.411 0.030 1 760 69 69 LEU HB2 H 1.840 0.030 2 761 69 69 LEU HB3 H 1.391 0.030 2 762 69 69 LEU HD1 H 0.724 0.030 1 763 69 69 LEU HD2 H 0.631 0.030 1 764 69 69 LEU HG H 1.601 0.030 1 765 69 69 LEU C C 176.356 0.300 1 766 69 69 LEU CA C 54.242 0.300 1 767 69 69 LEU CB C 44.885 0.300 1 768 69 69 LEU CD1 C 26.584 0.300 2 769 69 69 LEU CD2 C 25.234 0.300 2 770 69 69 LEU CG C 28.065 0.300 1 771 69 69 LEU N N 125.633 0.300 1 772 70 70 THR H H 9.197 0.030 1 773 70 70 THR HA H 4.702 0.030 1 774 70 70 THR HB H 4.151 0.030 1 775 70 70 THR HG2 H 1.210 0.030 1 776 70 70 THR C C 173.582 0.300 1 777 70 70 THR CA C 60.384 0.300 1 778 70 70 THR CB C 70.870 0.300 1 779 70 70 THR CG2 C 22.225 0.300 1 780 70 70 THR N N 120.391 0.300 1 781 71 71 GLU H H 8.965 0.030 1 782 71 71 GLU HA H 4.685 0.030 1 783 71 71 GLU HB2 H 2.121 0.030 2 784 71 71 GLU HB3 H 1.971 0.030 2 785 71 71 GLU HG2 H 2.211 0.030 1 786 71 71 GLU HG3 H 2.211 0.030 1 787 71 71 GLU C C 175.957 0.300 1 788 71 71 GLU CA C 56.254 0.300 1 789 71 71 GLU CB C 31.396 0.300 1 790 71 71 GLU CG C 36.454 0.300 1 791 71 71 GLU N N 124.718 0.300 1 792 72 72 GLN H H 8.318 0.030 1 793 72 72 GLN HA H 4.629 0.030 1 794 72 72 GLN HB2 H 2.078 0.030 2 795 72 72 GLN HB3 H 1.781 0.030 2 796 72 72 GLN HE21 H 7.431 0.030 2 797 72 72 GLN HE22 H 6.809 0.030 2 798 72 72 GLN HG2 H 2.269 0.030 2 799 72 72 GLN HG3 H 2.321 0.030 2 800 72 72 GLN C C 175.254 0.300 1 801 72 72 GLN CA C 55.336 0.300 1 802 72 72 GLN CB C 30.533 0.300 1 803 72 72 GLN CG C 34.627 0.300 1 804 72 72 GLN N N 123.543 0.300 1 805 72 72 GLN NE2 N 112.963 0.300 1 806 73 73 ASN H H 8.670 0.030 1 807 73 73 ASN HA H 4.688 0.030 1 808 73 73 ASN HB2 H 2.764 0.030 1 809 73 73 ASN HB3 H 2.764 0.030 1 810 73 73 ASN HD21 H 7.620 0.030 2 811 73 73 ASN HD22 H 6.924 0.030 2 812 73 73 ASN C C 175.229 0.300 1 813 73 73 ASN CA C 53.607 0.300 1 814 73 73 ASN CB C 39.169 0.300 1 815 73 73 ASN N N 120.534 0.300 1 816 73 73 ASN ND2 N 112.736 0.300 1 817 74 74 SER H H 8.641 0.030 1 818 74 74 SER HA H 4.652 0.030 1 819 74 74 SER HB2 H 3.891 0.030 1 820 74 74 SER HB3 H 3.891 0.030 1 821 74 74 SER C C 175.121 0.300 1 822 74 74 SER CA C 58.409 0.300 1 823 74 74 SER CB C 64.401 0.300 1 824 74 74 SER N N 117.448 0.300 1 825 75 75 THR HA H 4.282 0.030 1 826 75 75 THR HB H 4.372 0.030 1 827 75 75 THR HG2 H 1.222 0.030 1 828 75 75 THR C C 174.878 0.300 1 829 75 75 THR CA C 62.819 0.300 1 830 75 75 THR CB C 69.061 0.300 1 831 75 75 THR CG2 C 22.061 0.300 1 832 76 76 GLU H H 8.156 0.030 1 833 76 76 GLU HA H 4.350 0.030 1 834 76 76 GLU HB2 H 2.011 0.030 2 835 76 76 GLU HB3 H 1.857 0.030 2 836 76 76 GLU HG2 H 2.211 0.030 1 837 76 76 GLU HG3 H 2.211 0.030 1 838 76 76 GLU C C 176.138 0.300 1 839 76 76 GLU CA C 56.202 0.300 1 840 76 76 GLU CB C 30.532 0.300 1 841 76 76 GLU CG C 36.454 0.300 1 842 76 76 GLU N N 122.220 0.300 1 843 77 77 LYS H H 8.443 0.030 1 844 77 77 LYS HA H 4.221 0.030 1 845 77 77 LYS HB2 H 1.841 0.030 1 846 77 77 LYS HB3 H 1.841 0.030 1 847 77 77 LYS HD2 H 1.696 0.030 1 848 77 77 LYS HD3 H 1.696 0.030 1 849 77 77 LYS HE2 H 3.020 0.030 1 850 77 77 LYS HE3 H 3.020 0.030 1 851 77 77 LYS HG2 H 1.490 0.030 2 852 77 77 LYS HG3 H 1.441 0.030 2 853 77 77 LYS C C 176.465 0.300 1 854 77 77 LYS CA C 56.730 0.300 1 855 77 77 LYS CB C 32.301 0.300 1 856 77 77 LYS CD C 28.970 0.300 1 857 77 77 LYS CE C 42.094 0.300 1 858 77 77 LYS CG C 24.797 0.300 1 859 77 77 LYS N N 122.162 0.300 1 860 78 78 ASN H H 8.621 0.030 1 861 78 78 ASN HA H 4.641 0.030 1 862 78 78 ASN HB2 H 3.010 0.030 2 863 78 78 ASN HB3 H 2.927 0.030 2 864 78 78 ASN HD21 H 7.677 0.030 2 865 78 78 ASN HD22 H 6.980 0.030 2 866 78 78 ASN C C 173.485 0.300 1 867 78 78 ASN CA C 53.748 0.300 1 868 78 78 ASN CB C 38.058 0.300 1 869 78 78 ASN N N 116.583 0.300 1 870 78 78 ASN ND2 N 113.097 0.300 1 871 79 79 CYS H H 7.551 0.030 1 872 79 79 CYS HA H 4.371 0.030 1 873 79 79 CYS HB2 H 2.889 0.030 2 874 79 79 CYS HB3 H 2.782 0.030 2 875 79 79 CYS C C 172.515 0.300 1 876 79 79 CYS CA C 57.295 0.300 1 877 79 79 CYS CB C 29.628 0.300 1 878 79 79 CYS N N 112.640 0.300 1 879 80 80 ALA H H 7.642 0.030 1 880 80 80 ALA HA H 4.727 0.030 1 881 80 80 ALA HB H 1.439 0.030 1 882 80 80 ALA C C 175.314 0.300 1 883 80 80 ALA CA C 51.330 0.300 1 884 80 80 ALA CB C 21.896 0.300 1 885 80 80 ALA N N 124.099 0.300 1 886 81 81 LYS H H 8.459 0.030 1 887 81 81 LYS HA H 5.112 0.030 1 888 81 81 LYS HB2 H 1.593 0.030 2 889 81 81 LYS HB3 H 1.807 0.030 2 890 81 81 LYS HD2 H 1.651 0.030 2 891 81 81 LYS HD3 H 1.580 0.030 2 892 81 81 LYS HE2 H 2.881 0.030 1 893 81 81 LYS HE3 H 2.881 0.030 1 894 81 81 LYS HG2 H 1.391 0.030 2 895 81 81 LYS HG3 H 1.241 0.030 2 896 81 81 LYS C C 174.781 0.300 1 897 81 81 LYS CA C 55.283 0.300 1 898 81 81 LYS CB C 36.133 0.300 1 899 81 81 LYS CD C 29.787 0.300 1 900 81 81 LYS CE C 42.132 0.300 1 901 81 81 LYS CG C 25.451 0.300 1 902 81 81 LYS N N 119.796 0.300 1 903 82 82 PHE H H 8.748 0.030 1 904 82 82 PHE HA H 5.513 0.030 1 905 82 82 PHE HB2 H 3.288 0.030 2 906 82 82 PHE HB3 H 2.801 0.030 2 907 82 82 PHE HD1 H 6.975 0.030 1 908 82 82 PHE HD2 H 6.975 0.030 1 909 82 82 PHE HE1 H 7.173 0.030 1 910 82 82 PHE HE2 H 7.173 0.030 1 911 82 82 PHE HZ H 7.164 0.030 1 912 82 82 PHE C C 174.357 0.300 1 913 82 82 PHE CA C 55.643 0.300 1 914 82 82 PHE CB C 42.089 0.300 1 915 82 82 PHE CD1 C 131.944 0.300 1 916 82 82 PHE CD2 C 131.944 0.300 1 917 82 82 PHE CE1 C 130.719 0.300 1 918 82 82 PHE CE2 C 130.719 0.300 1 919 82 82 PHE CZ C 129.556 0.300 1 920 82 82 PHE N N 119.073 0.300 1 921 83 83 THR H H 9.290 0.030 1 922 83 83 THR HA H 5.032 0.030 1 923 83 83 THR HB H 4.040 0.030 1 924 83 83 THR HG2 H 0.991 0.030 1 925 83 83 THR C C 173.472 0.300 1 926 83 83 THR CA C 62.113 0.300 1 927 83 83 THR CB C 71.076 0.300 1 928 83 83 THR CG2 C 22.061 0.300 1 929 83 83 THR N N 116.845 0.300 1 930 84 84 LEU H H 9.502 0.030 1 931 84 84 LEU HA H 4.691 0.030 1 932 84 84 LEU HB2 H 1.883 0.030 2 933 84 84 LEU HB3 H 1.353 0.030 2 934 84 84 LEU HD1 H 0.939 0.030 1 935 84 84 LEU HD2 H 0.851 0.030 1 936 84 84 LEU HG H 1.760 0.030 1 937 84 84 LEU C C 174.308 0.300 1 938 84 84 LEU CA C 54.224 0.300 1 939 84 84 LEU CB C 41.636 0.300 1 940 84 84 LEU CD1 C 24.456 0.300 2 941 84 84 LEU CD2 C 25.926 0.300 2 942 84 84 LEU CG C 27.736 0.300 1 943 84 84 LEU N N 125.923 0.300 1 944 85 85 VAL H H 8.620 0.030 1 945 85 85 VAL HA H 4.151 0.030 1 946 85 85 VAL HB H 2.358 0.030 1 947 85 85 VAL HG1 H 0.891 0.030 1 948 85 85 VAL HG2 H 0.841 0.030 1 949 85 85 VAL C C 174.188 0.300 1 950 85 85 VAL CA C 63.649 0.300 1 951 85 85 VAL CB C 30.861 0.300 1 952 85 85 VAL CG1 C 21.336 0.300 2 953 85 85 VAL CG2 C 21.156 0.300 2 954 85 85 VAL N N 126.007 0.300 1 955 86 86 LEU H H 8.534 0.030 1 956 86 86 LEU HA H 4.853 0.030 1 957 86 86 LEU HB2 H 1.944 0.030 2 958 86 86 LEU HB3 H 2.041 0.030 2 959 86 86 LEU HD1 H 0.918 0.030 1 960 86 86 LEU HD2 H 0.959 0.030 1 961 86 86 LEU HG H 1.622 0.030 1 962 86 86 LEU C C 174.878 0.300 1 963 86 86 LEU CA C 53.183 0.300 1 964 86 86 LEU CB C 40.485 0.300 1 965 86 86 LEU CD1 C 26.413 0.300 2 966 86 86 LEU CD2 C 24.720 0.300 2 967 86 86 LEU CG C 28.374 0.300 1 968 86 86 LEU N N 129.551 0.300 1 969 87 87 PRO HA H 4.221 0.030 1 970 87 87 PRO HB2 H 1.841 0.030 2 971 87 87 PRO HB3 H 2.412 0.030 2 972 87 87 PRO HD2 H 3.841 0.030 2 973 87 87 PRO HD3 H 3.700 0.030 2 974 87 87 PRO HG2 H 2.211 0.030 2 975 87 87 PRO HG3 H 1.981 0.030 2 976 87 87 PRO C C 178.223 0.300 1 977 87 87 PRO CA C 66.455 0.300 1 978 87 87 PRO CB C 32.260 0.300 1 979 87 87 PRO CD C 50.026 0.300 1 980 87 87 PRO CG C 28.558 0.300 1 981 88 88 LYS H H 8.414 0.030 1 982 88 88 LYS HA H 4.548 0.030 1 983 88 88 LYS HB2 H 2.040 0.030 2 984 88 88 LYS HB3 H 1.735 0.030 2 985 88 88 LYS HD2 H 1.671 0.030 1 986 88 88 LYS HD3 H 1.671 0.030 1 987 88 88 LYS HE2 H 2.957 0.030 1 988 88 88 LYS HE3 H 2.957 0.030 1 989 88 88 LYS HG2 H 1.349 0.030 2 990 88 88 LYS HG3 H 1.404 0.030 2 991 88 88 LYS C C 176.187 0.300 1 992 88 88 LYS CA C 55.071 0.300 1 993 88 88 LYS CB C 33.534 0.300 1 994 88 88 LYS CD C 29.052 0.300 1 995 88 88 LYS CE C 42.212 0.300 1 996 88 88 LYS CG C 25.022 0.300 1 997 88 88 LYS N N 110.404 0.300 1 998 89 89 GLU H H 7.208 0.030 1 999 89 89 GLU HA H 4.561 0.030 1 1000 89 89 GLU HB2 H 2.031 0.030 2 1001 89 89 GLU HB3 H 1.933 0.030 2 1002 89 89 GLU HG2 H 2.021 0.030 1 1003 89 89 GLU HG3 H 2.021 0.030 1 1004 89 89 GLU C C 172.527 0.300 1 1005 89 89 GLU CA C 56.007 0.300 1 1006 89 89 GLU CB C 33.082 0.300 1 1007 89 89 GLU CG C 35.632 0.300 1 1008 89 89 GLU N N 116.828 0.300 1 1009 90 90 GLU H H 8.321 0.030 1 1010 90 90 GLU HA H 5.249 0.030 1 1011 90 90 GLU HB2 H 1.764 0.030 2 1012 90 90 GLU HB3 H 1.871 0.030 2 1013 90 90 GLU HG2 H 2.113 0.030 2 1014 90 90 GLU HG3 H 2.323 0.030 2 1015 90 90 GLU C C 176.296 0.300 1 1016 90 90 GLU CA C 54.860 0.300 1 1017 90 90 GLU CB C 31.972 0.300 1 1018 90 90 GLU CG C 36.912 0.300 1 1019 90 90 GLU N N 119.609 0.300 1 1020 91 91 VAL H H 8.972 0.030 1 1021 91 91 VAL HA H 4.352 0.030 1 1022 91 91 VAL HB H 1.887 0.030 1 1023 91 91 VAL HG1 H 0.701 0.030 1 1024 91 91 VAL HG2 H 0.861 0.030 1 1025 91 91 VAL C C 174.284 0.300 1 1026 91 91 VAL CA C 61.284 0.300 1 1027 91 91 VAL CB C 34.891 0.300 1 1028 91 91 VAL CG1 C 21.082 0.300 2 1029 91 91 VAL CG2 C 21.320 0.300 2 1030 91 91 VAL N N 123.947 0.300 1 1031 92 92 GLN H H 8.241 0.030 1 1032 92 92 GLN HA H 4.930 0.030 1 1033 92 92 GLN HB2 H 2.474 0.030 2 1034 92 92 GLN HB3 H 1.881 0.030 2 1035 92 92 GLN HE21 H 7.391 0.030 2 1036 92 92 GLN HE22 H 6.750 0.030 2 1037 92 92 GLN HG2 H 2.368 0.030 2 1038 92 92 GLN HG3 H 2.319 0.030 2 1039 92 92 GLN C C 174.115 0.300 1 1040 92 92 GLN CA C 55.583 0.300 1 1041 92 92 GLN CB C 30.121 0.300 1 1042 92 92 GLN CG C 34.316 0.300 1 1043 92 92 GLN N N 125.869 0.300 1 1044 92 92 GLN NE2 N 111.829 0.300 1 1045 93 93 LEU H H 9.145 0.030 1 1046 93 93 LEU HA H 5.456 0.030 1 1047 93 93 LEU HB2 H 1.141 0.030 1 1048 93 93 LEU HB3 H 1.141 0.030 1 1049 93 93 LEU HD1 H 0.617 0.030 1 1050 93 93 LEU HD2 H 0.619 0.030 1 1051 93 93 LEU HG H 1.510 0.030 1 1052 93 93 LEU C C 176.256 0.300 1 1053 93 93 LEU CA C 53.801 0.300 1 1054 93 93 LEU CB C 45.913 0.300 1 1055 93 93 LEU CD1 C 25.762 0.300 2 1056 93 93 LEU CD2 C 25.234 0.300 2 1057 93 93 LEU CG C 27.818 0.300 1 1058 93 93 LEU N N 123.952 0.300 1 1059 94 94 LYS H H 9.255 0.030 1 1060 94 94 LYS HA H 5.452 0.030 1 1061 94 94 LYS HB2 H 1.341 0.030 1 1062 94 94 LYS HB3 H 1.341 0.030 1 1063 94 94 LYS HD2 H 1.159 0.030 2 1064 94 94 LYS HD3 H 0.925 0.030 2 1065 94 94 LYS HE2 H 2.431 0.030 2 1066 94 94 LYS HE3 H 2.002 0.030 2 1067 94 94 LYS HG2 H 1.240 0.030 2 1068 94 94 LYS HG3 H 1.096 0.030 2 1069 94 94 LYS C C 174.563 0.300 1 1070 94 94 LYS CA C 54.718 0.300 1 1071 94 94 LYS CB C 36.571 0.300 1 1072 94 94 LYS CD C 29.792 0.300 1 1073 94 94 LYS CE C 41.489 0.300 1 1074 94 94 LYS CG C 25.268 0.300 1 1075 94 94 LYS N N 124.618 0.300 1 1076 95 95 THR H H 8.582 0.030 1 1077 95 95 THR HA H 4.946 0.030 1 1078 95 95 THR HB H 4.854 0.030 1 1079 95 95 THR HG2 H 1.244 0.030 1 1080 95 95 THR C C 175.278 0.300 1 1081 95 95 THR CA C 59.908 0.300 1 1082 95 95 THR CB C 70.917 0.300 1 1083 95 95 THR CG2 C 22.143 0.300 1 1084 95 95 THR N N 112.788 0.300 1 1085 96 96 GLU H H 9.033 0.030 1 1086 96 96 GLU HA H 4.321 0.030 1 1087 96 96 GLU HB2 H 2.070 0.030 2 1088 96 96 GLU HB3 H 2.229 0.030 2 1089 96 96 GLU HG2 H 2.221 0.030 2 1090 96 96 GLU HG3 H 2.335 0.030 2 1091 96 96 GLU C C 175.435 0.300 1 1092 96 96 GLU CA C 57.595 0.300 1 1093 96 96 GLU CB C 30.656 0.300 1 1094 96 96 GLU CG C 37.277 0.300 1 1095 96 96 GLU N N 117.745 0.300 1 1096 97 97 ASN H H 7.562 0.030 1 1097 97 97 ASN HA H 5.074 0.030 1 1098 97 97 ASN HB2 H 3.232 0.030 1 1099 97 97 ASN HB3 H 3.232 0.030 1 1100 97 97 ASN HD21 H 7.864 0.030 2 1101 97 97 ASN HD22 H 7.342 0.030 2 1102 97 97 ASN C C 176.575 0.300 1 1103 97 97 ASN CA C 52.195 0.300 1 1104 97 97 ASN CB C 40.485 0.300 1 1105 97 97 ASN N N 110.462 0.300 1 1106 97 97 ASN ND2 N 115.951 0.300 1 1107 98 98 THR HA H 3.916 0.030 1 1108 98 98 THR HB H 4.231 0.030 1 1109 98 98 THR HG2 H 1.271 0.030 1 1110 98 98 THR C C 176.938 0.300 1 1111 98 98 THR CA C 66.349 0.300 1 1112 98 98 THR CB C 68.638 0.300 1 1113 98 98 THR CG2 C 22.380 0.300 1 1114 99 99 GLU H H 9.316 0.030 1 1115 99 99 GLU HA H 4.221 0.030 1 1116 99 99 GLU HB2 H 2.160 0.030 2 1117 99 99 GLU HB3 H 2.201 0.030 2 1118 99 99 GLU HG2 H 2.399 0.030 2 1119 99 99 GLU HG3 H 2.484 0.030 2 1120 99 99 GLU C C 179.241 0.300 1 1121 99 99 GLU CA C 60.754 0.300 1 1122 99 99 GLU CB C 28.764 0.300 1 1123 99 99 GLU CG C 37.030 0.300 1 1124 99 99 GLU N N 125.868 0.300 1 1125 100 100 SER H H 8.739 0.030 1 1126 100 100 SER HA H 4.863 0.030 1 1127 100 100 SER HB2 H 4.331 0.030 2 1128 100 100 SER HB3 H 4.389 0.030 2 1129 100 100 SER C C 177.411 0.300 1 1130 100 100 SER CA C 61.037 0.300 1 1131 100 100 SER CB C 63.879 0.300 1 1132 100 100 SER N N 114.755 0.300 1 1133 101 101 GLY H H 7.879 0.030 1 1134 101 101 GLY HA2 H 4.139 0.030 2 1135 101 101 GLY HA3 H 4.012 0.030 2 1136 101 101 GLY C C 174.611 0.300 1 1137 101 101 GLY CA C 48.948 0.300 1 1138 101 101 GLY N N 108.940 0.300 1 1139 102 102 GLU H H 7.801 0.030 1 1140 102 102 GLU HA H 4.171 0.030 1 1141 102 102 GLU HB2 H 2.220 0.030 2 1142 102 102 GLU HB3 H 2.041 0.030 2 1143 102 102 GLU HG2 H 2.428 0.030 1 1144 102 102 GLU HG3 H 2.428 0.030 1 1145 102 102 GLU C C 179.084 0.300 1 1146 102 102 GLU CA C 58.601 0.300 1 1147 102 102 GLU CB C 29.627 0.300 1 1148 102 102 GLU CG C 36.043 0.300 1 1149 102 102 GLU N N 120.720 0.300 1 1150 103 103 GLU H H 7.781 0.030 1 1151 103 103 GLU HA H 3.739 0.030 1 1152 103 103 GLU HB2 H 2.207 0.030 2 1153 103 103 GLU HB3 H 1.812 0.030 2 1154 103 103 GLU HG2 H 2.341 0.030 2 1155 103 103 GLU HG3 H 1.884 0.030 2 1156 103 103 GLU C C 178.235 0.300 1 1157 103 103 GLU CA C 60.366 0.300 1 1158 103 103 GLU CB C 30.491 0.300 1 1159 103 103 GLU CG C 38.264 0.300 1 1160 103 103 GLU N N 119.068 0.300 1 1161 104 104 TRP H H 8.761 0.030 1 1162 104 104 TRP HA H 4.171 0.030 1 1163 104 104 TRP HB2 H 3.427 0.030 2 1164 104 104 TRP HB3 H 3.186 0.030 2 1165 104 104 TRP HD1 H 7.531 0.030 1 1166 104 104 TRP HE1 H 10.278 0.030 1 1167 104 104 TRP HE3 H 7.486 0.030 1 1168 104 104 TRP HH2 H 6.470 0.030 1 1169 104 104 TRP HZ2 H 6.707 0.030 1 1170 104 104 TRP HZ3 H 6.734 0.030 1 1171 104 104 TRP C C 178.817 0.300 1 1172 104 104 TRP CA C 62.290 0.300 1 1173 104 104 TRP CB C 29.340 0.300 1 1174 104 104 TRP CD1 C 127.557 0.300 1 1175 104 104 TRP CE3 C 118.767 0.300 1 1176 104 104 TRP CH2 C 123.712 0.300 1 1177 104 104 TRP CZ2 C 114.955 0.300 1 1178 104 104 TRP CZ3 C 120.729 0.300 1 1179 104 104 TRP N N 118.358 0.300 1 1180 104 104 TRP NE1 N 129.429 0.300 1 1181 105 105 ARG H H 8.400 0.030 1 1182 105 105 ARG HA H 3.481 0.030 1 1183 105 105 ARG HB2 H 1.654 0.030 2 1184 105 105 ARG HB3 H 1.570 0.030 2 1185 105 105 ARG HD2 H 2.991 0.030 2 1186 105 105 ARG HD3 H 2.841 0.030 2 1187 105 105 ARG HE H 7.621 0.030 1 1188 105 105 ARG HG2 H 0.949 0.030 2 1189 105 105 ARG HG3 H 1.220 0.030 2 1190 105 105 ARG C C 177.666 0.300 1 1191 105 105 ARG CA C 60.666 0.300 1 1192 105 105 ARG CB C 30.162 0.300 1 1193 105 105 ARG CD C 43.659 0.300 1 1194 105 105 ARG CG C 27.818 0.300 1 1195 105 105 ARG N N 117.098 0.300 1 1196 105 105 ARG NE N 83.421 0.300 1 1197 106 106 GLY H H 8.202 0.030 1 1198 106 106 GLY HA2 H 3.470 0.030 2 1199 106 106 GLY HA3 H 3.382 0.030 2 1200 106 106 GLY C C 176.162 0.300 1 1201 106 106 GLY CA C 47.554 0.300 1 1202 106 106 GLY N N 104.212 0.300 1 1203 107 107 PHE H H 8.491 0.030 1 1204 107 107 PHE HA H 3.722 0.030 1 1205 107 107 PHE HB2 H 2.670 0.030 2 1206 107 107 PHE HB3 H 2.582 0.030 2 1207 107 107 PHE HD1 H 6.554 0.030 1 1208 107 107 PHE HD2 H 6.554 0.030 1 1209 107 107 PHE HE1 H 6.720 0.030 1 1210 107 107 PHE HE2 H 6.720 0.030 1 1211 107 107 PHE HZ H 7.001 0.030 1 1212 107 107 PHE C C 177.265 0.300 1 1213 107 107 PHE CA C 64.284 0.300 1 1214 107 107 PHE CB C 39.209 0.300 1 1215 107 107 PHE CD1 C 130.798 0.300 1 1216 107 107 PHE CD2 C 130.798 0.300 1 1217 107 107 PHE CE1 C 131.562 0.300 1 1218 107 107 PHE CE2 C 131.562 0.300 1 1219 107 107 PHE CZ C 128.969 0.300 1 1220 107 107 PHE N N 122.710 0.300 1 1221 108 108 ILE H H 8.674 0.030 1 1222 108 108 ILE HA H 3.523 0.030 1 1223 108 108 ILE HB H 1.880 0.030 1 1224 108 108 ILE HD1 H 0.944 0.030 1 1225 108 108 ILE HG12 H 2.241 0.030 2 1226 108 108 ILE HG13 H 0.959 0.030 2 1227 108 108 ILE HG2 H 0.797 0.030 1 1228 108 108 ILE C C 178.623 0.300 1 1229 108 108 ILE CA C 66.384 0.300 1 1230 108 108 ILE CB C 37.852 0.300 1 1231 108 108 ILE CD1 C 13.618 0.300 1 1232 108 108 ILE CG1 C 30.471 0.300 1 1233 108 108 ILE CG2 C 17.190 0.300 1 1234 108 108 ILE N N 117.395 0.300 1 1235 109 109 LEU H H 8.378 0.030 1 1236 109 109 LEU HA H 4.032 0.030 1 1237 109 109 LEU HB2 H 1.742 0.030 2 1238 109 109 LEU HB3 H 1.492 0.030 2 1239 109 109 LEU HD1 H 0.806 0.030 1 1240 109 109 LEU HD2 H 0.811 0.030 1 1241 109 109 LEU HG H 1.761 0.030 1 1242 109 109 LEU C C 178.635 0.300 1 1243 109 109 LEU CA C 57.878 0.300 1 1244 109 109 LEU CB C 40.854 0.300 1 1245 109 109 LEU CD1 C 25.449 0.300 2 1246 109 109 LEU CD2 C 21.776 0.300 2 1247 109 109 LEU CG C 27.106 0.300 1 1248 109 109 LEU N N 118.573 0.300 1 1249 110 110 THR H H 7.600 0.030 1 1250 110 110 THR HA H 4.110 0.030 1 1251 110 110 THR HB H 4.019 0.030 1 1252 110 110 THR HG2 H 0.844 0.030 1 1253 110 110 THR C C 177.265 0.300 1 1254 110 110 THR CA C 68.325 0.300 1 1255 110 110 THR CB C 68.230 0.300 1 1256 110 110 THR CG2 C 22.143 0.300 1 1257 110 110 THR N N 115.926 0.300 1 1258 111 111 VAL H H 7.490 0.030 1 1259 111 111 VAL HA H 3.912 0.030 1 1260 111 111 VAL HB H 2.283 0.030 1 1261 111 111 VAL HG1 H 0.957 0.030 1 1262 111 111 VAL HG2 H 1.187 0.030 1 1263 111 111 VAL C C 174.793 0.300 1 1264 111 111 VAL CA C 64.601 0.300 1 1265 111 111 VAL CB C 32.007 0.300 1 1266 111 111 VAL CG1 C 21.943 0.300 2 1267 111 111 VAL CG2 C 19.300 0.300 2 1268 111 111 VAL N N 109.123 0.300 1 1269 112 112 THR H H 7.410 0.030 1 1270 112 112 THR HA H 4.494 0.030 1 1271 112 112 THR HB H 4.220 0.030 1 1272 112 112 THR HG2 H 1.337 0.030 1 1273 112 112 THR C C 177.265 0.300 1 1274 112 112 THR CA C 62.784 0.300 1 1275 112 112 THR CB C 69.290 0.300 1 1276 112 112 THR CG2 C 23.952 0.300 1 1277 112 112 THR N N 107.046 0.300 1 1278 113 113 GLU H H 8.541 0.030 1 1279 113 113 GLU HA H 4.280 0.030 1 1280 113 113 GLU HB2 H 2.179 0.030 2 1281 113 113 GLU HB3 H 1.990 0.030 2 1282 113 113 GLU HG2 H 2.201 0.030 2 1283 113 113 GLU HG3 H 2.510 0.030 2 1284 113 113 GLU C C 176.745 0.300 1 1285 113 113 GLU CA C 57.048 0.300 1 1286 113 113 GLU CB C 29.422 0.300 1 1287 113 113 GLU CG C 37.166 0.300 1 1288 113 113 GLU N N 120.888 0.300 1 1289 114 114 LEU H H 7.561 0.030 1 1290 114 114 LEU HA H 4.042 0.030 1 1291 114 114 LEU HB2 H 1.970 0.030 2 1292 114 114 LEU HB3 H 1.391 0.030 2 1293 114 114 LEU HD1 H 0.851 0.030 1 1294 114 114 LEU HD2 H 0.751 0.030 1 1295 114 114 LEU HG H 1.381 0.030 1 1296 114 114 LEU C C 175.569 0.300 1 1297 114 114 LEU CA C 55.213 0.300 1 1298 114 114 LEU CB C 38.182 0.300 1 1299 114 114 LEU CD1 C 25.766 0.300 2 1300 114 114 LEU CD2 C 23.283 0.300 2 1301 114 114 LEU CG C 26.566 0.300 1 1302 114 114 LEU N N 114.453 0.300 1 1303 115 115 SER H H 7.113 0.030 1 1304 115 115 SER HA H 4.315 0.030 1 1305 115 115 SER HB2 H 3.603 0.030 2 1306 115 115 SER HB3 H 3.468 0.030 2 1307 115 115 SER C C 173.521 0.300 1 1308 115 115 SER CA C 57.454 0.300 1 1309 115 115 SER CB C 64.505 0.300 1 1310 115 115 SER N N 110.010 0.300 1 1311 116 116 VAL H H 8.635 0.030 1 1312 116 116 VAL HA H 4.210 0.030 1 1313 116 116 VAL HB H 1.593 0.030 1 1314 116 116 VAL HG1 H 0.621 0.030 1 1315 116 116 VAL HG2 H 0.190 0.030 1 1316 116 116 VAL C C 175.024 0.300 1 1317 116 116 VAL CA C 60.948 0.300 1 1318 116 116 VAL CB C 32.177 0.300 1 1319 116 116 VAL CG1 C 20.368 0.300 2 1320 116 116 VAL CG2 C 20.956 0.300 2 1321 116 116 VAL N N 129.442 0.300 1 1322 117 117 PRO HA H 4.381 0.030 1 1323 117 117 PRO HB2 H 2.255 0.030 2 1324 117 117 PRO HB3 H 1.852 0.030 2 1325 117 117 PRO HD2 H 3.792 0.030 2 1326 117 117 PRO HD3 H 3.444 0.030 2 1327 117 117 PRO HG2 H 1.990 0.030 2 1328 117 117 PRO HG3 H 1.852 0.030 2 1329 117 117 PRO C C 176.478 0.300 1 1330 117 117 PRO CA C 62.678 0.300 1 1331 117 117 PRO CB C 31.931 0.300 1 1332 117 117 PRO CD C 51.259 0.300 1 1333 117 117 PRO CG C 28.100 0.300 1 1334 118 118 GLN H H 8.576 0.030 1 1335 118 118 GLN HA H 4.282 0.030 1 1336 118 118 GLN HB2 H 2.180 0.030 2 1337 118 118 GLN HB3 H 1.892 0.030 2 1338 118 118 GLN HE21 H 7.499 0.030 2 1339 118 118 GLN HE22 H 6.860 0.030 2 1340 118 118 GLN HG2 H 2.396 0.030 1 1341 118 118 GLN HG3 H 2.396 0.030 1 1342 118 118 GLN C C 176.575 0.300 1 1343 118 118 GLN CA C 55.866 0.300 1 1344 118 118 GLN CB C 29.704 0.300 1 1345 118 118 GLN CG C 34.251 0.300 1 1346 118 118 GLN N N 118.498 0.300 1 1347 118 118 GLN NE2 N 113.025 0.300 1 1348 119 119 ASN H H 8.444 0.030 1 1349 119 119 ASN HA H 4.727 0.030 1 1350 119 119 ASN HB2 H 2.911 0.030 2 1351 119 119 ASN HB3 H 2.713 0.030 2 1352 119 119 ASN HD21 H 6.732 0.030 2 1353 119 119 ASN HD22 H 7.620 0.030 2 1354 119 119 ASN C C 174.842 0.300 1 1355 119 119 ASN CA C 52.812 0.300 1 1356 119 119 ASN CB C 37.071 0.300 1 1357 119 119 ASN N N 117.223 0.300 1 1358 119 119 ASN ND2 N 112.189 0.300 1 1359 120 120 VAL H H 7.182 0.030 1 1360 120 120 VAL HA H 4.381 0.030 1 1361 120 120 VAL HB H 1.840 0.030 1 1362 120 120 VAL HG1 H 0.719 0.030 1 1363 120 120 VAL HG2 H 0.665 0.030 1 1364 120 120 VAL C C 175.484 0.300 1 1365 120 120 VAL CA C 60.048 0.300 1 1366 120 120 VAL CB C 34.028 0.300 1 1367 120 120 VAL CG1 C 21.649 0.300 2 1368 120 120 VAL CG2 C 19.429 0.300 2 1369 120 120 VAL N N 114.038 0.300 1 1370 121 121 SER H H 9.313 0.030 1 1371 121 121 SER HA H 4.552 0.030 1 1372 121 121 SER HB2 H 3.849 0.030 2 1373 121 121 SER HB3 H 3.711 0.030 2 1374 121 121 SER C C 173.096 0.300 1 1375 121 121 SER CA C 57.119 0.300 1 1376 121 121 SER CB C 62.528 0.300 1 1377 121 121 SER N N 122.117 0.300 1 1378 122 122 LEU H H 7.470 0.030 1 1379 122 122 LEU HA H 4.618 0.030 1 1380 122 122 LEU HB2 H 1.491 0.030 2 1381 122 122 LEU HB3 H 1.358 0.030 2 1382 122 122 LEU HD1 H 0.592 0.030 1 1383 122 122 LEU HD2 H 0.731 0.030 1 1384 122 122 LEU HG H 1.341 0.030 1 1385 122 122 LEU C C 176.526 0.300 1 1386 122 122 LEU CA C 52.795 0.300 1 1387 122 122 LEU CB C 45.790 0.300 1 1388 122 122 LEU CD1 C 26.584 0.300 2 1389 122 122 LEU CD2 C 23.296 0.300 2 1390 122 122 LEU CG C 26.796 0.300 1 1391 122 122 LEU N N 122.878 0.300 1 1392 123 123 LEU H H 8.765 0.030 1 1393 123 123 LEU HA H 4.574 0.030 1 1394 123 123 LEU HB2 H 1.732 0.030 2 1395 123 123 LEU HB3 H 1.660 0.030 2 1396 123 123 LEU HD1 H 0.987 0.030 1 1397 123 123 LEU HD2 H 0.979 0.030 1 1398 123 123 LEU HG H 1.841 0.030 1 1399 123 123 LEU C C 176.769 0.300 1 1400 123 123 LEU CA C 53.748 0.300 1 1401 123 123 LEU CB C 40.649 0.300 1 1402 123 123 LEU CD1 C 22.469 0.300 2 1403 123 123 LEU CD2 C 25.429 0.300 2 1404 123 123 LEU CG C 27.306 0.300 1 1405 123 123 LEU N N 122.054 0.300 1 1406 124 124 PRO HA H 4.232 0.030 1 1407 124 124 PRO HB2 H 1.970 0.030 2 1408 124 124 PRO HB3 H 2.418 0.030 2 1409 124 124 PRO HD2 H 3.950 0.030 2 1410 124 124 PRO HD3 H 3.800 0.030 2 1411 124 124 PRO HG2 H 2.239 0.030 2 1412 124 124 PRO HG3 H 2.121 0.030 2 1413 124 124 PRO CA C 66.281 0.300 1 1414 124 124 PRO CB C 31.945 0.300 1 1415 124 124 PRO CD C 50.215 0.300 1 1416 124 124 PRO CG C 27.930 0.300 1 1417 125 125 GLY HA2 H 3.901 0.030 1 1418 125 125 GLY HA3 H 3.901 0.030 1 1419 125 125 GLY C C 176.696 0.300 1 1420 125 125 GLY CA C 46.724 0.300 1 1421 126 126 GLN H H 7.495 0.030 1 1422 126 126 GLN HA H 4.261 0.030 1 1423 126 126 GLN HB2 H 2.511 0.030 2 1424 126 126 GLN HB3 H 1.952 0.030 2 1425 126 126 GLN HE21 H 7.041 0.030 2 1426 126 126 GLN HE22 H 7.499 0.030 2 1427 126 126 GLN HG2 H 2.461 0.030 1 1428 126 126 GLN HG3 H 2.461 0.030 1 1429 126 126 GLN C C 178.235 0.300 1 1430 126 126 GLN CA C 57.807 0.300 1 1431 126 126 GLN CB C 30.039 0.300 1 1432 126 126 GLN CG C 34.609 0.300 1 1433 126 126 GLN N N 120.404 0.300 1 1434 126 126 GLN NE2 N 112.602 0.300 1 1435 127 127 VAL H H 7.839 0.030 1 1436 127 127 VAL HA H 3.360 0.030 1 1437 127 127 VAL HB H 2.180 0.030 1 1438 127 127 VAL HG1 H 1.002 0.030 1 1439 127 127 VAL HG2 H 0.898 0.030 1 1440 127 127 VAL C C 178.441 0.300 1 1441 127 127 VAL CA C 67.231 0.300 1 1442 127 127 VAL CB C 31.948 0.300 1 1443 127 127 VAL CG1 C 21.814 0.300 2 1444 127 127 VAL CG2 C 23.659 0.300 2 1445 127 127 VAL N N 121.180 0.300 1 1446 128 128 ILE H H 7.725 0.030 1 1447 128 128 ILE HA H 3.820 0.030 1 1448 128 128 ILE HB H 1.903 0.030 1 1449 128 128 ILE HD1 H 0.852 0.030 1 1450 128 128 ILE HG12 H 1.653 0.030 2 1451 128 128 ILE HG13 H 1.240 0.030 2 1452 128 128 ILE HG2 H 0.953 0.030 1 1453 128 128 ILE C C 178.599 0.300 1 1454 128 128 ILE CA C 64.978 0.300 1 1455 128 128 ILE CB C 37.976 0.300 1 1456 128 128 ILE CD1 C 12.731 0.300 1 1457 128 128 ILE CG1 C 29.126 0.300 1 1458 128 128 ILE CG2 C 17.208 0.300 1 1459 128 128 ILE N N 119.369 0.300 1 1460 129 129 LYS H H 7.204 0.030 1 1461 129 129 LYS HA H 4.241 0.030 1 1462 129 129 LYS HB2 H 2.090 0.030 1 1463 129 129 LYS HB3 H 2.090 0.030 1 1464 129 129 LYS HD2 H 1.921 0.030 1 1465 129 129 LYS HD3 H 1.921 0.030 1 1466 129 129 LYS HE2 H 3.120 0.030 1 1467 129 129 LYS HE3 H 3.120 0.030 1 1468 129 129 LYS HG2 H 1.724 0.030 1 1469 129 129 LYS HG3 H 1.724 0.030 1 1470 129 129 LYS C C 178.902 0.300 1 1471 129 129 LYS CA C 58.690 0.300 1 1472 129 129 LYS CB C 31.725 0.300 1 1473 129 129 LYS CD C 28.558 0.300 1 1474 129 129 LYS CE C 42.094 0.300 1 1475 129 129 LYS CG C 25.022 0.300 1 1476 129 129 LYS N N 119.356 0.300 1 1477 130 130 LEU H H 7.750 0.030 1 1478 130 130 LEU HA H 3.649 0.030 1 1479 130 130 LEU HB2 H 1.786 0.030 2 1480 130 130 LEU HB3 H 1.251 0.030 2 1481 130 130 LEU HD1 H 0.341 0.030 1 1482 130 130 LEU HD2 H -0.503 0.030 1 1483 130 130 LEU HG H 1.340 0.030 1 1484 130 130 LEU C C 178.756 0.300 1 1485 130 130 LEU CA C 57.913 0.300 1 1486 130 130 LEU CB C 40.197 0.300 1 1487 130 130 LEU CD1 C 25.756 0.300 2 1488 130 130 LEU CD2 C 19.593 0.300 2 1489 130 130 LEU CG C 26.013 0.300 1 1490 130 130 LEU N N 118.271 0.300 1 1491 131 131 HIS H H 7.732 0.030 1 1492 131 131 HIS HA H 3.918 0.030 1 1493 131 131 HIS HB2 H 3.250 0.030 2 1494 131 131 HIS HB3 H 3.121 0.030 2 1495 131 131 HIS HD2 H 7.090 0.030 1 1496 131 131 HIS HE1 H 7.696 0.030 1 1497 131 131 HIS C C 178.392 0.300 1 1498 131 131 HIS CA C 61.019 0.300 1 1499 131 131 HIS CB C 29.951 0.300 1 1500 131 131 HIS CD2 C 121.509 0.300 1 1501 131 131 HIS CE1 C 138.274 0.300 1 1502 131 131 HIS N N 117.308 0.300 1 1503 132 132 GLU H H 8.030 0.030 1 1504 132 132 GLU HA H 4.097 0.030 1 1505 132 132 GLU HB2 H 2.313 0.030 2 1506 132 132 GLU HB3 H 2.232 0.030 2 1507 132 132 GLU HG2 H 2.561 0.030 2 1508 132 132 GLU HG3 H 2.201 0.030 2 1509 132 132 GLU C C 179.907 0.300 1 1510 132 132 GLU CA C 59.660 0.300 1 1511 132 132 GLU CB C 29.627 0.300 1 1512 132 132 GLU CG C 36.537 0.300 1 1513 132 132 GLU N N 121.443 0.300 1 1514 133 133 VAL H H 8.250 0.030 1 1515 133 133 VAL HA H 3.352 0.030 1 1516 133 133 VAL HB H 1.991 0.030 1 1517 133 133 VAL HG1 H 0.119 0.030 1 1518 133 133 VAL HG2 H 1.131 0.030 1 1519 133 133 VAL C C 176.575 0.300 1 1520 133 133 VAL CA C 66.367 0.300 1 1521 133 133 VAL CB C 31.203 0.300 1 1522 133 133 VAL CG1 C 20.004 0.300 2 1523 133 133 VAL CG2 C 23.459 0.300 2 1524 133 133 VAL N N 121.281 0.300 1 1525 134 134 LEU H H 8.259 0.030 1 1526 134 134 LEU HA H 3.645 0.030 1 1527 134 134 LEU HB2 H 1.951 0.030 2 1528 134 134 LEU HB3 H 1.203 0.030 2 1529 134 134 LEU HD1 H 0.733 0.030 1 1530 134 134 LEU HD2 H 0.879 0.030 1 1531 134 134 LEU HG H 1.390 0.030 1 1532 134 134 LEU C C 177.980 0.300 1 1533 134 134 LEU CA C 58.154 0.300 1 1534 134 134 LEU CB C 40.320 0.300 1 1535 134 134 LEU CD1 C 22.711 0.300 2 1536 134 134 LEU CD2 C 26.420 0.300 2 1537 134 134 LEU CG C 26.791 0.300 1 1538 134 134 LEU N N 120.134 0.300 1 1539 135 135 GLU H H 7.611 0.030 1 1540 135 135 GLU HA H 3.972 0.030 1 1541 135 135 GLU HB2 H 2.137 0.030 1 1542 135 135 GLU HB3 H 2.137 0.030 1 1543 135 135 GLU HG2 H 2.400 0.030 1 1544 135 135 GLU HG3 H 2.400 0.030 1 1545 135 135 GLU C C 179.834 0.300 1 1546 135 135 GLU CA C 59.325 0.300 1 1547 135 135 GLU CB C 29.134 0.300 1 1548 135 135 GLU CG C 36.125 0.300 1 1549 135 135 GLU N N 116.026 0.300 1 1550 136 136 ARG H H 7.789 0.030 1 1551 136 136 ARG HA H 4.140 0.030 1 1552 136 136 ARG HB2 H 2.249 0.030 2 1553 136 136 ARG HB3 H 2.066 0.030 2 1554 136 136 ARG HD2 H 3.394 0.030 2 1555 136 136 ARG HD3 H 3.299 0.030 2 1556 136 136 ARG HG2 H 2.041 0.030 2 1557 136 136 ARG HG3 H 1.940 0.030 2 1558 136 136 ARG C C 179.083 0.300 1 1559 136 136 ARG CA C 59.131 0.300 1 1560 136 136 ARG CB C 30.368 0.300 1 1561 136 136 ARG CD C 44.104 0.300 1 1562 136 136 ARG CG C 27.829 0.300 1 1563 136 136 ARG N N 119.681 0.300 1 1564 137 137 GLU H H 9.238 0.030 1 1565 137 137 GLU HA H 4.637 0.030 1 1566 137 137 GLU HB2 H 2.078 0.030 2 1567 137 137 GLU HB3 H 1.781 0.030 2 1568 137 137 GLU HG2 H 2.438 0.030 2 1569 137 137 GLU HG3 H 2.196 0.030 2 1570 137 137 GLU C C 178.817 0.300 1 1571 137 137 GLU CA C 58.036 0.300 1 1572 137 137 GLU CB C 28.147 0.300 1 1573 137 137 GLU CG C 35.074 0.300 1 1574 137 137 GLU N N 124.333 0.300 1 1575 138 138 LYS H H 8.788 0.030 1 1576 138 138 LYS HA H 3.899 0.030 1 1577 138 138 LYS HB2 H 1.852 0.030 1 1578 138 138 LYS HB3 H 1.852 0.030 1 1579 138 138 LYS HD2 H 1.660 0.030 1 1580 138 138 LYS HD3 H 1.660 0.030 1 1581 138 138 LYS HE2 H 2.830 0.030 2 1582 138 138 LYS HE3 H 2.962 0.030 2 1583 138 138 LYS HG2 H 1.404 0.030 2 1584 138 138 LYS HG3 H 1.721 0.030 2 1585 138 138 LYS C C 179.944 0.300 1 1586 138 138 LYS CA C 60.754 0.300 1 1587 138 138 LYS CB C 32.789 0.300 1 1588 138 138 LYS CD C 29.957 0.300 1 1589 138 138 LYS CE C 41.883 0.300 1 1590 138 138 LYS CG C 26.667 0.300 1 1591 138 138 LYS N N 119.622 0.300 1 1592 139 139 LYS H H 7.313 0.030 1 1593 139 139 LYS HA H 4.070 0.030 1 1594 139 139 LYS HB2 H 1.963 0.030 1 1595 139 139 LYS HB3 H 1.963 0.030 1 1596 139 139 LYS HD2 H 1.731 0.030 1 1597 139 139 LYS HD3 H 1.731 0.030 1 1598 139 139 LYS HE2 H 3.021 0.030 1 1599 139 139 LYS HE3 H 3.021 0.030 1 1600 139 139 LYS HG2 H 1.613 0.030 2 1601 139 139 LYS HG3 H 1.452 0.030 2 1602 139 139 LYS C C 178.235 0.300 1 1603 139 139 LYS CA C 59.166 0.300 1 1604 139 139 LYS CB C 32.424 0.300 1 1605 139 139 LYS CD C 29.386 0.300 1 1606 139 139 LYS CE C 42.212 0.300 1 1607 139 139 LYS CG C 25.268 0.300 1 1608 139 139 LYS N N 117.326 0.300 1 1609 140 140 ARG H H 8.344 0.030 1 1610 140 140 ARG HA H 4.080 0.030 1 1611 140 140 ARG HB2 H 2.183 0.030 2 1612 140 140 ARG HB3 H 1.941 0.030 2 1613 140 140 ARG HD2 H 3.481 0.030 2 1614 140 140 ARG HD3 H 2.850 0.030 2 1615 140 140 ARG HE H 9.850 0.030 1 1616 140 140 ARG HG2 H 1.718 0.030 2 1617 140 140 ARG HG3 H 1.579 0.030 2 1618 140 140 ARG C C 179.531 0.300 1 1619 140 140 ARG CA C 59.184 0.300 1 1620 140 140 ARG CB C 31.190 0.300 1 1621 140 140 ARG CD C 42.623 0.300 1 1622 140 140 ARG CG C 28.147 0.300 1 1623 140 140 ARG N N 121.404 0.300 1 1624 140 140 ARG NE N 81.813 0.300 1 1625 141 141 ARG H H 8.171 0.030 1 1626 141 141 ARG HA H 4.034 0.030 1 1627 141 141 ARG HB2 H 1.918 0.030 1 1628 141 141 ARG HB3 H 1.918 0.030 1 1629 141 141 ARG HD2 H 3.080 0.030 2 1630 141 141 ARG HD3 H 3.201 0.030 2 1631 141 141 ARG HE H 8.338 0.030 1 1632 141 141 ARG HG2 H 1.781 0.030 2 1633 141 141 ARG HG3 H 1.871 0.030 2 1634 141 141 ARG C C 178.671 0.300 1 1635 141 141 ARG CA C 58.337 0.300 1 1636 141 141 ARG CB C 30.327 0.300 1 1637 141 141 ARG CD C 43.363 0.300 1 1638 141 141 ARG CG C 27.983 0.300 1 1639 141 141 ARG N N 115.667 0.300 1 1640 141 141 ARG NE N 84.988 0.300 1 1641 142 142 ILE H H 7.521 0.030 1 1642 142 142 ILE HA H 4.074 0.030 1 1643 142 142 ILE HB H 2.056 0.030 1 1644 142 142 ILE HD1 H 0.898 0.030 1 1645 142 142 ILE HG12 H 1.661 0.030 2 1646 142 142 ILE HG13 H 1.311 0.030 2 1647 142 142 ILE HG2 H 0.968 0.030 1 1648 142 142 ILE C C 177.787 0.300 1 1649 142 142 ILE CA C 63.178 0.300 1 1650 142 142 ILE CB C 38.346 0.300 1 1651 142 142 ILE CD1 C 13.260 0.300 1 1652 142 142 ILE CG1 C 28.346 0.300 1 1653 142 142 ILE CG2 C 17.455 0.300 1 1654 142 142 ILE N N 118.031 0.300 1 1655 143 143 GLU H H 8.041 0.030 1 1656 143 143 GLU HA H 4.251 0.030 1 1657 143 143 GLU HB2 H 2.108 0.030 1 1658 143 143 GLU HB3 H 2.108 0.030 1 1659 143 143 GLU HG2 H 2.462 0.030 2 1660 143 143 GLU HG3 H 2.310 0.030 2 1661 143 143 GLU C C 177.217 0.300 1 1662 143 143 GLU CA C 57.595 0.300 1 1663 143 143 GLU CB C 29.998 0.300 1 1664 143 143 GLU CG C 36.537 0.300 1 1665 143 143 GLU N N 120.963 0.300 1 1666 144 144 SER H H 8.041 0.030 1 1667 144 144 SER HA H 4.538 0.030 1 1668 144 144 SER HB2 H 3.966 0.030 1 1669 144 144 SER HB3 H 3.966 0.030 1 1670 144 144 SER C C 174.721 0.300 1 1671 144 144 SER CA C 58.801 0.300 1 1672 144 144 SER CB C 64.126 0.300 1 1673 144 144 SER N N 114.646 0.300 1 1674 145 145 GLY H H 7.982 0.030 1 1675 145 145 GLY HA2 H 4.102 0.030 2 1676 145 145 GLY HA3 H 4.231 0.030 2 1677 145 145 GLY C C 171.800 0.300 1 1678 145 145 GLY CA C 44.854 0.300 1 1679 145 145 GLY N N 110.299 0.300 1 1680 146 146 PRO HA H 4.510 0.030 1 1681 146 146 PRO HB2 H 2.314 0.030 2 1682 146 146 PRO HB3 H 1.992 0.030 2 1683 146 146 PRO HD2 H 3.671 0.030 1 1684 146 146 PRO HD3 H 3.671 0.030 1 1685 146 146 PRO HG2 H 2.041 0.030 1 1686 146 146 PRO HG3 H 2.041 0.030 1 1687 146 146 PRO C C 177.496 0.300 1 1688 146 146 PRO CA C 63.313 0.300 1 1689 146 146 PRO CB C 32.177 0.300 1 1690 146 146 PRO CD C 49.826 0.300 1 1691 146 146 PRO CG C 27.260 0.300 1 1692 147 147 SER H H 8.530 0.030 1 1693 147 147 SER C C 174.721 0.300 1 1694 147 147 SER CA C 58.390 0.300 1 1695 147 147 SER CB C 63.803 0.300 1 1696 147 147 SER N N 116.436 0.300 1 1697 148 148 SER H H 8.348 0.030 1 1698 148 148 SER C C 173.957 0.300 1 1699 148 148 SER CA C 58.372 0.300 1 1700 148 148 SER CB C 64.008 0.300 1 1701 148 148 SER N N 117.952 0.300 1 stop_ save_