data_10270 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structures of the fn3 domain of human contactin 1 ; _BMRB_accession_number 10270 _BMRB_flat_file_name bmr10270.str _Entry_type new _Submission_date 2008-12-15 _Accession_date 2008-12-15 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sato M. . . 2 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" 631 "13C chemical shifts" 488 "15N chemical shifts" 119 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-12-14 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structures of the fn3 domain of human contactin 1' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sato M. . . 2 Tochio N. . . 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 Contactin-1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Fibronectin type III 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 'Fibronectin type III domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 119 _Mol_residue_sequence ; GSSGSSGVAVINSAQDAPSE APTEVGVKVLSSSEISVHWE HVLEKIVESYQIRYWAAHDK EEAANRVQVTSQEYSARLEN LLPDTQYFIEVGACNSAGCG PPSDMIEAFTKKASGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 VAL 9 ALA 10 VAL 11 ILE 12 ASN 13 SER 14 ALA 15 GLN 16 ASP 17 ALA 18 PRO 19 SER 20 GLU 21 ALA 22 PRO 23 THR 24 GLU 25 VAL 26 GLY 27 VAL 28 LYS 29 VAL 30 LEU 31 SER 32 SER 33 SER 34 GLU 35 ILE 36 SER 37 VAL 38 HIS 39 TRP 40 GLU 41 HIS 42 VAL 43 LEU 44 GLU 45 LYS 46 ILE 47 VAL 48 GLU 49 SER 50 TYR 51 GLN 52 ILE 53 ARG 54 TYR 55 TRP 56 ALA 57 ALA 58 HIS 59 ASP 60 LYS 61 GLU 62 GLU 63 ALA 64 ALA 65 ASN 66 ARG 67 VAL 68 GLN 69 VAL 70 THR 71 SER 72 GLN 73 GLU 74 TYR 75 SER 76 ALA 77 ARG 78 LEU 79 GLU 80 ASN 81 LEU 82 LEU 83 PRO 84 ASP 85 THR 86 GLN 87 TYR 88 PHE 89 ILE 90 GLU 91 VAL 92 GLY 93 ALA 94 CYS 95 ASN 96 SER 97 ALA 98 GLY 99 CYS 100 GLY 101 PRO 102 PRO 103 SER 104 ASP 105 MET 106 ILE 107 GLU 108 ALA 109 PHE 110 THR 111 LYS 112 LYS 113 ALA 114 SER 115 GLY 116 PRO 117 SER 118 SER 119 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 2EE2 "Solution Structures Of The Fn3 Domain Of Human Contactin 1" 100.00 119 100.00 100.00 7.35e-80 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 P050711-22 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-13C; U-15N]' 'd-Tris HCl' 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name XWINNMR _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20031121 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.932 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structure solution' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 900 _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 'Fibronectin type III 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 1 1 GLY H H 9.967 0.030 1 2 1 1 GLY HA2 H 4.583 0.030 2 3 1 1 GLY HA3 H 3.644 0.030 2 4 1 1 GLY CA C 43.301 0.300 1 5 1 1 GLY N N 125.711 0.300 1 6 4 4 GLY H H 8.507 0.030 1 7 4 4 GLY HA2 H 4.513 0.030 2 8 4 4 GLY HA3 H 3.859 0.030 2 9 4 4 GLY CA C 44.199 0.300 1 10 4 4 GLY N N 116.148 0.300 1 11 6 6 SER HA H 4.472 0.030 1 12 6 6 SER HB2 H 3.889 0.030 2 13 6 6 SER C C 174.998 0.300 1 14 6 6 SER CA C 58.657 0.300 1 15 6 6 SER CB C 64.025 0.300 1 16 7 7 GLY H H 8.399 0.030 1 17 7 7 GLY HA2 H 3.963 0.030 1 18 7 7 GLY HA3 H 3.963 0.030 1 19 7 7 GLY C C 173.942 0.300 1 20 7 7 GLY CA C 45.332 0.300 1 21 7 7 GLY N N 110.856 0.300 1 22 8 8 VAL H H 7.919 0.030 1 23 8 8 VAL HA H 4.101 0.030 1 24 8 8 VAL HB H 2.040 0.030 1 25 8 8 VAL HG1 H 0.912 0.030 1 26 8 8 VAL HG2 H 0.913 0.030 1 27 8 8 VAL C C 175.827 0.300 1 28 8 8 VAL CA C 61.987 0.300 1 29 8 8 VAL CB C 32.786 0.300 1 30 8 8 VAL CG1 C 21.151 0.300 2 31 8 8 VAL CG2 C 20.710 0.300 2 32 8 8 VAL N N 119.305 0.300 1 33 9 9 ALA H H 8.367 0.030 1 34 9 9 ALA HA H 4.329 0.030 1 35 9 9 ALA HB H 1.341 0.030 1 36 9 9 ALA C C 177.422 0.300 1 37 9 9 ALA CA C 52.399 0.300 1 38 9 9 ALA CB C 19.317 0.300 1 39 9 9 ALA N N 128.175 0.300 1 40 10 10 VAL H H 8.154 0.030 1 41 10 10 VAL HA H 4.046 0.030 1 42 10 10 VAL HB H 1.998 0.030 1 43 10 10 VAL HG1 H 0.880 0.030 1 44 10 10 VAL HG2 H 0.879 0.030 1 45 10 10 VAL C C 176.076 0.300 1 46 10 10 VAL CA C 62.288 0.300 1 47 10 10 VAL CB C 32.786 0.300 1 48 10 10 VAL CG1 C 21.173 0.300 2 49 10 10 VAL CG2 C 20.317 0.300 2 50 10 10 VAL N N 120.641 0.300 1 51 11 11 ILE H H 8.261 0.030 1 52 11 11 ILE HA H 4.148 0.030 1 53 11 11 ILE HB H 1.812 0.030 1 54 11 11 ILE HD1 H 0.821 0.030 1 55 11 11 ILE HG12 H 1.431 0.030 2 56 11 11 ILE HG13 H 1.147 0.030 2 57 11 11 ILE HG2 H 0.860 0.030 1 58 11 11 ILE C C 175.857 0.300 1 59 11 11 ILE CA C 60.842 0.300 1 60 11 11 ILE CB C 38.776 0.300 1 61 11 11 ILE CD1 C 12.808 0.300 1 62 11 11 ILE CG1 C 27.217 0.300 1 63 11 11 ILE CG2 C 17.421 0.300 1 64 11 11 ILE N N 125.253 0.300 1 65 12 12 ASN H H 8.575 0.030 1 66 12 12 ASN HA H 4.737 0.030 1 67 12 12 ASN HB2 H 2.821 0.030 2 68 12 12 ASN HB3 H 2.710 0.030 2 69 12 12 ASN HD21 H 7.603 0.030 2 70 12 12 ASN HD22 H 6.896 0.030 2 71 12 12 ASN C C 175.004 0.300 1 72 12 12 ASN CA C 53.087 0.300 1 73 12 12 ASN CB C 39.076 0.300 1 74 12 12 ASN N N 123.538 0.300 1 75 12 12 ASN ND2 N 112.751 0.300 1 76 13 13 SER H H 8.317 0.030 1 77 13 13 SER HA H 4.373 0.030 1 78 13 13 SER HB2 H 3.845 0.030 2 79 13 13 SER HB3 H 3.793 0.030 2 80 13 13 SER C C 174.118 0.300 1 81 13 13 SER CA C 58.375 0.300 1 82 13 13 SER CB C 63.866 0.300 1 83 13 13 SER N N 116.982 0.300 1 84 14 14 ALA H H 8.317 0.030 1 85 14 14 ALA HA H 4.285 0.030 1 86 14 14 ALA HB H 1.341 0.030 1 87 14 14 ALA C C 177.298 0.300 1 88 14 14 ALA CA C 52.628 0.300 1 89 14 14 ALA CB C 19.192 0.300 1 90 14 14 ALA N N 125.606 0.300 1 91 15 15 GLN H H 8.221 0.030 1 92 15 15 GLN HA H 4.237 0.030 1 93 15 15 GLN HB2 H 2.022 0.030 2 94 15 15 GLN HB3 H 1.894 0.030 2 95 15 15 GLN HE21 H 7.457 0.030 2 96 15 15 GLN HE22 H 6.825 0.030 2 97 15 15 GLN HG2 H 2.280 0.030 1 98 15 15 GLN HG3 H 2.280 0.030 1 99 15 15 GLN C C 174.741 0.300 1 100 15 15 GLN CA C 55.925 0.300 1 101 15 15 GLN CB C 29.990 0.300 1 102 15 15 GLN CG C 33.816 0.300 1 103 15 15 GLN N N 119.248 0.300 1 104 15 15 GLN NE2 N 112.443 0.300 1 105 16 16 ASP H H 7.898 0.030 1 106 16 16 ASP HA H 4.714 0.030 1 107 16 16 ASP HB2 H 2.637 0.030 2 108 16 16 ASP HB3 H 2.360 0.030 2 109 16 16 ASP C C 175.219 0.300 1 110 16 16 ASP CA C 53.387 0.300 1 111 16 16 ASP CB C 42.771 0.300 1 112 16 16 ASP N N 119.674 0.300 1 113 17 17 ALA H H 8.256 0.030 1 114 17 17 ALA HA H 4.549 0.030 1 115 17 17 ALA HB H 0.924 0.030 1 116 17 17 ALA C C 174.226 0.300 1 117 17 17 ALA CA C 50.514 0.300 1 118 17 17 ALA CB C 16.689 0.300 1 119 17 17 ALA N N 123.830 0.300 1 120 18 18 PRO HA H 4.247 0.030 1 121 18 18 PRO HB2 H 2.295 0.030 2 122 18 18 PRO HB3 H 1.589 0.030 2 123 18 18 PRO HD2 H 3.667 0.030 2 124 18 18 PRO HD3 H 3.076 0.030 2 125 18 18 PRO HG2 H 1.575 0.030 2 126 18 18 PRO HG3 H 1.434 0.030 2 127 18 18 PRO CA C 63.135 0.300 1 128 18 18 PRO CB C 31.866 0.300 1 129 18 18 PRO CD C 50.329 0.300 1 130 18 18 PRO CG C 28.500 0.300 1 131 19 19 SER HA H 4.524 0.030 1 132 19 19 SER HB2 H 4.003 0.030 2 133 19 19 SER HB3 H 3.807 0.030 2 134 19 19 SER C C 173.934 0.300 1 135 19 19 SER CA C 58.657 0.300 1 136 19 19 SER CB C 65.246 0.300 1 137 20 20 GLU H H 7.589 0.030 1 138 20 20 GLU HA H 4.604 0.030 1 139 20 20 GLU HB2 H 2.034 0.030 2 140 20 20 GLU HB3 H 1.821 0.030 2 141 20 20 GLU HG2 H 2.275 0.030 2 142 20 20 GLU HG3 H 2.205 0.030 2 143 20 20 GLU C C 175.082 0.300 1 144 20 20 GLU CA C 54.762 0.300 1 145 20 20 GLU CB C 33.405 0.300 1 146 20 20 GLU CG C 36.265 0.300 1 147 20 20 GLU N N 121.739 0.300 1 148 21 21 ALA H H 8.564 0.030 1 149 21 21 ALA HA H 4.995 0.030 1 150 21 21 ALA HB H 1.150 0.030 1 151 21 21 ALA C C 175.731 0.300 1 152 21 21 ALA CA C 49.341 0.300 1 153 21 21 ALA CB C 19.388 0.300 1 154 21 21 ALA N N 125.054 0.300 1 155 22 22 PRO HA H 4.529 0.030 1 156 22 22 PRO HB2 H 2.497 0.030 2 157 22 22 PRO HB3 H 1.661 0.030 2 158 22 22 PRO HD2 H 4.121 0.030 2 159 22 22 PRO HD3 H 3.692 0.030 2 160 22 22 PRO HG2 H 1.664 0.030 2 161 22 22 PRO HG3 H 1.631 0.030 2 162 22 22 PRO C C 174.830 0.300 1 163 22 22 PRO CA C 63.076 0.300 1 164 22 22 PRO CB C 32.294 0.300 1 165 22 22 PRO CD C 50.418 0.300 1 166 22 22 PRO CG C 28.085 0.300 1 167 23 23 THR H H 7.442 0.030 1 168 23 23 THR HA H 4.663 0.030 1 169 23 23 THR HB H 4.420 0.030 1 170 23 23 THR HG2 H 1.297 0.030 1 171 23 23 THR C C 172.878 0.300 1 172 23 23 THR CA C 59.961 0.300 1 173 23 23 THR CB C 72.337 0.300 1 174 23 23 THR CG2 C 22.213 0.300 1 175 23 23 THR N N 109.039 0.300 1 176 24 24 GLU H H 8.782 0.030 1 177 24 24 GLU HA H 3.911 0.030 1 178 24 24 GLU HB2 H 2.161 0.030 2 179 24 24 GLU HB3 H 1.970 0.030 2 180 24 24 GLU HG2 H 2.276 0.030 2 181 24 24 GLU HG3 H 2.207 0.030 2 182 24 24 GLU C C 175.816 0.300 1 183 24 24 GLU CA C 56.172 0.300 1 184 24 24 GLU CB C 27.761 0.300 1 185 24 24 GLU CG C 36.270 0.300 1 186 24 24 GLU N N 115.227 0.300 1 187 25 25 VAL H H 8.030 0.030 1 188 25 25 VAL HA H 4.891 0.030 1 189 25 25 VAL HB H 2.034 0.030 1 190 25 25 VAL HG1 H 0.945 0.030 1 191 25 25 VAL HG2 H 0.915 0.030 1 192 25 25 VAL C C 177.065 0.300 1 193 25 25 VAL CA C 62.446 0.300 1 194 25 25 VAL CB C 31.471 0.300 1 195 25 25 VAL CG1 C 21.953 0.300 2 196 25 25 VAL CG2 C 21.953 0.300 2 197 25 25 VAL N N 119.529 0.300 1 198 26 26 GLY H H 8.796 0.030 1 199 26 26 GLY HA2 H 4.420 0.030 2 200 26 26 GLY HA3 H 3.646 0.030 2 201 26 26 GLY C C 170.874 0.300 1 202 26 26 GLY CA C 44.468 0.300 1 203 26 26 GLY N N 114.560 0.300 1 204 27 27 VAL H H 8.332 0.030 1 205 27 27 VAL HA H 5.508 0.030 1 206 27 27 VAL HB H 1.853 0.030 1 207 27 27 VAL HG1 H 0.736 0.030 1 208 27 27 VAL HG2 H 0.732 0.030 1 209 27 27 VAL C C 175.652 0.300 1 210 27 27 VAL CA C 58.279 0.300 1 211 27 27 VAL CB C 36.230 0.300 1 212 27 27 VAL CG1 C 22.282 0.300 2 213 27 27 VAL CG2 C 19.450 0.300 2 214 27 27 VAL N N 110.792 0.300 1 215 28 28 LYS H H 9.143 0.030 1 216 28 28 LYS HA H 4.550 0.030 1 217 28 28 LYS HB2 H 1.761 0.030 1 218 28 28 LYS HB3 H 1.761 0.030 1 219 28 28 LYS HD2 H 1.600 0.030 1 220 28 28 LYS HD3 H 1.600 0.030 1 221 28 28 LYS HE2 H 2.791 0.030 2 222 28 28 LYS HG2 H 1.335 0.030 2 223 28 28 LYS HG3 H 1.225 0.030 2 224 28 28 LYS C C 175.150 0.300 1 225 28 28 LYS CA C 55.396 0.300 1 226 28 28 LYS CB C 35.134 0.300 1 227 28 28 LYS CD C 29.285 0.300 1 228 28 28 LYS CE C 42.220 0.300 1 229 28 28 LYS CG C 25.032 0.300 1 230 28 28 LYS N N 123.314 0.300 1 231 29 29 VAL H H 9.190 0.030 1 232 29 29 VAL HA H 3.939 0.030 1 233 29 29 VAL HB H 2.128 0.030 1 234 29 29 VAL HG1 H 1.203 0.030 1 235 29 29 VAL HG2 H 0.997 0.030 1 236 29 29 VAL C C 176.162 0.300 1 237 29 29 VAL CA C 64.332 0.300 1 238 29 29 VAL CB C 31.417 0.300 1 239 29 29 VAL CG1 C 22.416 0.300 2 240 29 29 VAL CG2 C 21.046 0.300 2 241 29 29 VAL N N 127.176 0.300 1 242 30 30 LEU H H 8.108 0.030 1 243 30 30 LEU HA H 4.375 0.030 1 244 30 30 LEU HB2 H 1.523 0.030 1 245 30 30 LEU HB3 H 1.523 0.030 1 246 30 30 LEU HD1 H 0.760 0.030 1 247 30 30 LEU HD2 H 0.737 0.030 1 248 30 30 LEU HG H 1.603 0.030 1 249 30 30 LEU C C 177.477 0.300 1 250 30 30 LEU CA C 55.886 0.300 1 251 30 30 LEU CB C 42.498 0.300 1 252 30 30 LEU CD1 C 25.366 0.300 2 253 30 30 LEU CD2 C 22.241 0.300 2 254 30 30 LEU CG C 26.857 0.300 1 255 30 30 LEU N N 128.053 0.300 1 256 31 31 SER H H 8.152 0.030 1 257 31 31 SER HA H 4.748 0.030 1 258 31 31 SER HB2 H 4.298 0.030 2 259 31 31 SER HB3 H 4.048 0.030 2 260 31 31 SER C C 173.427 0.300 1 261 31 31 SER CA C 57.811 0.300 1 262 31 31 SER CB C 64.517 0.300 1 263 31 31 SER N N 112.798 0.300 1 264 32 32 SER H H 8.450 0.030 1 265 32 32 SER HA H 4.604 0.030 1 266 32 32 SER HB2 H 3.960 0.030 2 267 32 32 SER HB3 H 3.548 0.030 2 268 32 32 SER C C 172.423 0.300 1 269 32 32 SER CA C 59.414 0.300 1 270 32 32 SER CB C 63.903 0.300 1 271 32 32 SER N N 112.687 0.300 1 272 33 33 SER H H 8.355 0.030 1 273 33 33 SER HA H 4.759 0.030 1 274 33 33 SER HB2 H 4.097 0.030 2 275 33 33 SER HB3 H 3.550 0.030 2 276 33 33 SER C C 173.940 0.300 1 277 33 33 SER CA C 57.229 0.300 1 278 33 33 SER CB C 66.786 0.300 1 279 33 33 SER N N 109.767 0.300 1 280 34 34 GLU H H 6.978 0.030 1 281 34 34 GLU HA H 5.487 0.030 1 282 34 34 GLU HB2 H 1.933 0.030 2 283 34 34 GLU HB3 H 1.777 0.030 2 284 34 34 GLU HG2 H 2.274 0.030 2 285 34 34 GLU HG3 H 2.036 0.030 2 286 34 34 GLU C C 175.294 0.300 1 287 34 34 GLU CA C 55.130 0.300 1 288 34 34 GLU CB C 35.711 0.300 1 289 34 34 GLU CG C 36.849 0.300 1 290 34 34 GLU N N 119.009 0.300 1 291 35 35 ILE H H 8.190 0.030 1 292 35 35 ILE HA H 4.477 0.030 1 293 35 35 ILE HB H 1.188 0.030 1 294 35 35 ILE HD1 H 0.338 0.030 1 295 35 35 ILE HG12 H 1.255 0.030 2 296 35 35 ILE HG13 H 0.795 0.030 2 297 35 35 ILE HG2 H 0.555 0.030 1 298 35 35 ILE C C 173.681 0.300 1 299 35 35 ILE CA C 60.203 0.300 1 300 35 35 ILE CB C 43.791 0.300 1 301 35 35 ILE CD1 C 13.302 0.300 1 302 35 35 ILE CG1 C 28.071 0.300 1 303 35 35 ILE CG2 C 17.420 0.300 1 304 35 35 ILE N N 120.691 0.300 1 305 36 36 SER H H 9.269 0.030 1 306 36 36 SER HA H 5.300 0.030 1 307 36 36 SER HB2 H 3.796 0.030 2 308 36 36 SER HB3 H 3.724 0.030 2 309 36 36 SER C C 172.945 0.300 1 310 36 36 SER CA C 56.549 0.300 1 311 36 36 SER CB C 64.591 0.300 1 312 36 36 SER N N 120.471 0.300 1 313 37 37 VAL H H 9.000 0.030 1 314 37 37 VAL HA H 4.902 0.030 1 315 37 37 VAL HB H 1.880 0.030 1 316 37 37 VAL HG1 H 0.995 0.030 1 317 37 37 VAL HG2 H 0.828 0.030 1 318 37 37 VAL C C 173.530 0.300 1 319 37 37 VAL CA C 60.261 0.300 1 320 37 37 VAL CB C 35.001 0.300 1 321 37 37 VAL CG1 C 21.339 0.300 2 322 37 37 VAL CG2 C 22.173 0.300 2 323 37 37 VAL N N 127.009 0.300 1 324 38 38 HIS H H 8.779 0.030 1 325 38 38 HIS HA H 5.238 0.030 1 326 38 38 HIS HB2 H 2.976 0.030 2 327 38 38 HIS HB3 H 2.901 0.030 2 328 38 38 HIS HD2 H 6.767 0.030 1 329 38 38 HIS HE1 H 7.730 0.030 1 330 38 38 HIS C C 173.545 0.300 1 331 38 38 HIS CA C 54.991 0.300 1 332 38 38 HIS CB C 32.564 0.300 1 333 38 38 HIS CD2 C 123.050 0.300 1 334 38 38 HIS CE1 C 136.990 0.300 1 335 38 38 HIS N N 123.115 0.300 1 336 39 39 TRP H H 7.682 0.030 1 337 39 39 TRP HA H 5.044 0.030 1 338 39 39 TRP HB2 H 3.421 0.030 2 339 39 39 TRP HB3 H 2.996 0.030 2 340 39 39 TRP HD1 H 6.476 0.030 1 341 39 39 TRP HE1 H 5.937 0.030 1 342 39 39 TRP HE3 H 6.906 0.030 1 343 39 39 TRP HH2 H 6.517 0.030 1 344 39 39 TRP HZ2 H 6.652 0.030 1 345 39 39 TRP HZ3 H 6.515 0.030 1 346 39 39 TRP C C 173.585 0.300 1 347 39 39 TRP CA C 57.170 0.300 1 348 39 39 TRP CB C 31.554 0.300 1 349 39 39 TRP CD1 C 125.451 0.300 1 350 39 39 TRP CE3 C 120.571 0.300 1 351 39 39 TRP CH2 C 123.631 0.300 1 352 39 39 TRP CZ2 C 113.508 0.300 1 353 39 39 TRP CZ3 C 120.984 0.300 1 354 39 39 TRP N N 116.447 0.300 1 355 39 39 TRP NE1 N 121.288 0.300 1 356 40 40 GLU H H 8.522 0.030 1 357 40 40 GLU HA H 4.619 0.030 1 358 40 40 GLU HB2 H 2.025 0.030 2 359 40 40 GLU HB3 H 1.877 0.030 2 360 40 40 GLU HG2 H 2.394 0.030 2 361 40 40 GLU HG3 H 2.217 0.030 2 362 40 40 GLU C C 177.186 0.300 1 363 40 40 GLU CA C 54.356 0.300 1 364 40 40 GLU CB C 30.344 0.300 1 365 40 40 GLU CG C 36.206 0.300 1 366 40 40 GLU N N 117.208 0.300 1 367 41 41 HIS H H 8.477 0.030 1 368 41 41 HIS HA H 4.748 0.030 1 369 41 41 HIS HB2 H 3.290 0.030 2 370 41 41 HIS HB3 H 3.167 0.030 2 371 41 41 HIS HD2 H 6.342 0.030 1 372 41 41 HIS HE1 H 7.707 0.030 1 373 41 41 HIS C C 177.474 0.300 1 374 41 41 HIS CA C 54.779 0.300 1 375 41 41 HIS CB C 31.140 0.300 1 376 41 41 HIS CD2 C 116.060 0.300 1 377 41 41 HIS CE1 C 137.668 0.300 1 378 41 41 HIS N N 119.083 0.300 1 379 42 42 VAL H H 7.680 0.030 1 380 42 42 VAL HA H 4.428 0.030 1 381 42 42 VAL HB H 2.397 0.030 1 382 42 42 VAL HG1 H 0.988 0.030 1 383 42 42 VAL HG2 H 1.006 0.030 1 384 42 42 VAL C C 175.401 0.300 1 385 42 42 VAL CA C 60.878 0.300 1 386 42 42 VAL CB C 32.216 0.300 1 387 42 42 VAL CG1 C 22.365 0.300 2 388 42 42 VAL CG2 C 19.736 0.300 2 389 42 42 VAL N N 114.975 0.300 1 390 43 43 LEU H H 9.107 0.030 1 391 43 43 LEU HA H 4.303 0.030 1 392 43 43 LEU HB2 H 1.879 0.030 2 393 43 43 LEU HB3 H 1.585 0.030 2 394 43 43 LEU HD1 H 0.969 0.030 1 395 43 43 LEU HD2 H 0.875 0.030 1 396 43 43 LEU HG H 1.720 0.030 1 397 43 43 LEU C C 178.603 0.300 1 398 43 43 LEU CA C 55.872 0.300 1 399 43 43 LEU CB C 41.684 0.300 1 400 43 43 LEU CD1 C 25.334 0.300 2 401 43 43 LEU CD2 C 23.121 0.300 2 402 43 43 LEU CG C 27.291 0.300 1 403 43 43 LEU N N 123.877 0.300 1 404 44 44 GLU H H 7.988 0.030 1 405 44 44 GLU HA H 4.152 0.030 1 406 44 44 GLU HB2 H 1.981 0.030 1 407 44 44 GLU HB3 H 1.981 0.030 1 408 44 44 GLU HG2 H 2.278 0.030 2 409 44 44 GLU HG3 H 2.221 0.030 2 410 44 44 GLU C C 177.236 0.300 1 411 44 44 GLU CA C 57.282 0.300 1 412 44 44 GLU CB C 31.033 0.300 1 413 44 44 GLU CG C 36.642 0.300 1 414 44 44 GLU N N 119.655 0.300 1 415 45 45 LYS H H 8.596 0.030 1 416 45 45 LYS HA H 4.295 0.030 1 417 45 45 LYS HB2 H 1.986 0.030 2 418 45 45 LYS HB3 H 1.791 0.030 2 419 45 45 LYS HD2 H 1.689 0.030 1 420 45 45 LYS HD3 H 1.689 0.030 1 421 45 45 LYS HE2 H 3.032 0.030 1 422 45 45 LYS HE3 H 3.032 0.030 1 423 45 45 LYS HG2 H 1.558 0.030 2 424 45 45 LYS HG3 H 1.503 0.030 2 425 45 45 LYS C C 177.258 0.300 1 426 45 45 LYS CA C 57.170 0.300 1 427 45 45 LYS CB C 32.204 0.300 1 428 45 45 LYS CD C 28.772 0.300 1 429 45 45 LYS CE C 42.242 0.300 1 430 45 45 LYS CG C 25.001 0.300 1 431 45 45 LYS N N 120.518 0.300 1 432 46 46 ILE H H 7.212 0.030 1 433 46 46 ILE HA H 4.371 0.030 1 434 46 46 ILE HB H 2.084 0.030 1 435 46 46 ILE HD1 H 0.726 0.030 1 436 46 46 ILE HG12 H 1.093 0.030 1 437 46 46 ILE HG13 H 1.093 0.030 1 438 46 46 ILE HG2 H 0.895 0.030 1 439 46 46 ILE C C 175.191 0.300 1 440 46 46 ILE CA C 60.666 0.300 1 441 46 46 ILE CB C 37.531 0.300 1 442 46 46 ILE CD1 C 13.716 0.300 1 443 46 46 ILE CG1 C 26.668 0.300 1 444 46 46 ILE CG2 C 18.370 0.300 1 445 46 46 ILE N N 111.434 0.300 1 446 47 47 VAL H H 7.378 0.030 1 447 47 47 VAL HA H 3.658 0.030 1 448 47 47 VAL HB H 1.853 0.030 1 449 47 47 VAL HG1 H 0.759 0.030 1 450 47 47 VAL HG2 H 0.573 0.030 1 451 47 47 VAL C C 175.157 0.300 1 452 47 47 VAL CA C 63.521 0.300 1 453 47 47 VAL CB C 33.570 0.300 1 454 47 47 VAL CG1 C 23.246 0.300 2 455 47 47 VAL CG2 C 21.458 0.300 2 456 47 47 VAL N N 122.780 0.300 1 457 48 48 GLU H H 8.733 0.030 1 458 48 48 GLU HA H 4.615 0.030 1 459 48 48 GLU HB2 H 2.190 0.030 2 460 48 48 GLU HB3 H 1.866 0.030 2 461 48 48 GLU HG2 H 2.311 0.030 1 462 48 48 GLU HG3 H 2.311 0.030 1 463 48 48 GLU C C 176.241 0.300 1 464 48 48 GLU CA C 56.701 0.300 1 465 48 48 GLU CB C 32.966 0.300 1 466 48 48 GLU CG C 36.793 0.300 1 467 48 48 GLU N N 124.835 0.300 1 468 49 49 SER H H 8.130 0.030 1 469 49 49 SER HA H 4.726 0.030 1 470 49 49 SER HB2 H 3.850 0.030 2 471 49 49 SER HB3 H 3.664 0.030 2 472 49 49 SER C C 171.371 0.300 1 473 49 49 SER CA C 57.440 0.300 1 474 49 49 SER CB C 66.073 0.300 1 475 49 49 SER N N 114.231 0.300 1 476 50 50 TYR H H 8.681 0.030 1 477 50 50 TYR HA H 5.057 0.030 1 478 50 50 TYR HB2 H 2.338 0.030 2 479 50 50 TYR HB3 H 2.012 0.030 2 480 50 50 TYR HD1 H 6.877 0.030 1 481 50 50 TYR HD2 H 6.877 0.030 1 482 50 50 TYR HE1 H 6.650 0.030 1 483 50 50 TYR HE2 H 6.650 0.030 1 484 50 50 TYR C C 174.034 0.300 1 485 50 50 TYR CA C 57.434 0.300 1 486 50 50 TYR CB C 41.437 0.300 1 487 50 50 TYR CD1 C 133.619 0.300 1 488 50 50 TYR CD2 C 133.619 0.300 1 489 50 50 TYR CE1 C 117.784 0.300 1 490 50 50 TYR CE2 C 117.784 0.300 1 491 50 50 TYR N N 115.301 0.300 1 492 51 51 GLN H H 9.200 0.030 1 493 51 51 GLN HA H 5.144 0.030 1 494 51 51 GLN HB2 H 1.823 0.030 1 495 51 51 GLN HB3 H 1.823 0.030 1 496 51 51 GLN HE21 H 7.678 0.030 2 497 51 51 GLN HE22 H 6.843 0.030 2 498 51 51 GLN HG2 H 2.118 0.030 2 499 51 51 GLN HG3 H 1.958 0.030 2 500 51 51 GLN C C 173.878 0.300 1 501 51 51 GLN CA C 53.669 0.300 1 502 51 51 GLN CB C 32.783 0.300 1 503 51 51 GLN CG C 34.869 0.300 1 504 51 51 GLN N N 119.842 0.300 1 505 51 51 GLN NE2 N 111.541 0.300 1 506 52 52 ILE H H 9.441 0.030 1 507 52 52 ILE HA H 4.803 0.030 1 508 52 52 ILE HB H 1.812 0.030 1 509 52 52 ILE HD1 H 0.655 0.030 1 510 52 52 ILE HG12 H 1.064 0.030 2 511 52 52 ILE HG13 H 0.870 0.030 2 512 52 52 ILE HG2 H 0.800 0.030 1 513 52 52 ILE C C 174.953 0.300 1 514 52 52 ILE CA C 61.054 0.300 1 515 52 52 ILE CB C 39.108 0.300 1 516 52 52 ILE CD1 C 16.492 0.300 1 517 52 52 ILE CG1 C 30.735 0.300 1 518 52 52 ILE CG2 C 21.613 0.300 1 519 52 52 ILE N N 128.547 0.300 1 520 53 53 ARG H H 9.169 0.030 1 521 53 53 ARG HA H 5.628 0.030 1 522 53 53 ARG HB2 H 1.906 0.030 2 523 53 53 ARG HB3 H 1.754 0.030 2 524 53 53 ARG HD2 H 3.128 0.030 1 525 53 53 ARG HD3 H 3.128 0.030 1 526 53 53 ARG HG2 H 1.618 0.030 2 527 53 53 ARG HG3 H 1.467 0.030 2 528 53 53 ARG C C 174.869 0.300 1 529 53 53 ARG CA C 54.479 0.300 1 530 53 53 ARG CB C 33.942 0.300 1 531 53 53 ARG CD C 43.373 0.300 1 532 53 53 ARG CG C 29.294 0.300 1 533 53 53 ARG N N 127.779 0.300 1 534 54 54 TYR H H 8.671 0.030 1 535 54 54 TYR HA H 6.310 0.030 1 536 54 54 TYR HB2 H 2.844 0.030 2 537 54 54 TYR HB3 H 2.607 0.030 2 538 54 54 TYR HD1 H 6.747 0.030 1 539 54 54 TYR HD2 H 6.747 0.030 1 540 54 54 TYR HE1 H 6.595 0.030 1 541 54 54 TYR HE2 H 6.595 0.030 1 542 54 54 TYR C C 173.965 0.300 1 543 54 54 TYR CA C 55.291 0.300 1 544 54 54 TYR CB C 41.930 0.300 1 545 54 54 TYR CD1 C 133.656 0.300 1 546 54 54 TYR CD2 C 133.656 0.300 1 547 54 54 TYR CE1 C 118.257 0.300 1 548 54 54 TYR CE2 C 118.257 0.300 1 549 54 54 TYR N N 117.929 0.300 1 550 55 55 TRP H H 8.928 0.030 1 551 55 55 TRP HA H 5.054 0.030 1 552 55 55 TRP HB2 H 3.283 0.030 2 553 55 55 TRP HB3 H 3.109 0.030 2 554 55 55 TRP HD1 H 7.051 0.030 1 555 55 55 TRP HE1 H 9.770 0.030 1 556 55 55 TRP HE3 H 7.118 0.030 1 557 55 55 TRP HH2 H 6.807 0.030 1 558 55 55 TRP HZ2 H 7.115 0.030 1 559 55 55 TRP HZ3 H 6.593 0.030 1 560 55 55 TRP C C 172.613 0.300 1 561 55 55 TRP CA C 56.577 0.300 1 562 55 55 TRP CB C 32.118 0.300 1 563 55 55 TRP CD1 C 128.615 0.300 1 564 55 55 TRP CE3 C 121.461 0.300 1 565 55 55 TRP CH2 C 123.569 0.300 1 566 55 55 TRP CZ2 C 114.633 0.300 1 567 55 55 TRP CZ3 C 121.291 0.300 1 568 55 55 TRP N N 121.459 0.300 1 569 55 55 TRP NE1 N 129.227 0.300 1 570 56 56 ALA H H 8.870 0.030 1 571 56 56 ALA HA H 4.053 0.030 1 572 56 56 ALA HB H 0.723 0.030 1 573 56 56 ALA C C 179.868 0.300 1 574 56 56 ALA CA C 50.478 0.300 1 575 56 56 ALA CB C 19.108 0.300 1 576 56 56 ALA N N 124.214 0.300 1 577 57 57 ALA H H 8.147 0.030 1 578 57 57 ALA HA H 3.913 0.030 1 579 57 57 ALA HB H 1.171 0.030 1 580 57 57 ALA C C 178.479 0.300 1 581 57 57 ALA CA C 54.832 0.300 1 582 57 57 ALA CB C 19.317 0.300 1 583 57 57 ALA N N 120.999 0.300 1 584 58 58 HIS H H 7.274 0.030 1 585 58 58 HIS HA H 4.605 0.030 1 586 58 58 HIS HB2 H 3.351 0.030 2 587 58 58 HIS HB3 H 3.012 0.030 2 588 58 58 HIS HD2 H 6.959 0.030 1 589 58 58 HIS HE1 H 7.627 0.030 1 590 58 58 HIS C C 175.349 0.300 1 591 58 58 HIS CA C 56.066 0.300 1 592 58 58 HIS CB C 29.780 0.300 1 593 58 58 HIS CD2 C 119.361 0.300 1 594 58 58 HIS CE1 C 137.953 0.300 1 595 58 58 HIS N N 109.961 0.300 1 596 59 59 ASP H H 7.945 0.030 1 597 59 59 ASP HA H 4.869 0.030 1 598 59 59 ASP HB2 H 2.888 0.030 2 599 59 59 ASP HB3 H 2.821 0.030 2 600 59 59 ASP C C 175.895 0.300 1 601 59 59 ASP CA C 53.898 0.300 1 602 59 59 ASP CB C 42.385 0.300 1 603 59 59 ASP N N 123.825 0.300 1 604 60 60 LYS H H 8.147 0.030 1 605 60 60 LYS HA H 4.197 0.030 1 606 60 60 LYS HB2 H 1.894 0.030 2 607 60 60 LYS HB3 H 1.667 0.030 2 608 60 60 LYS HD2 H 1.620 0.030 2 609 60 60 LYS HE2 H 2.940 0.030 2 610 60 60 LYS HG2 H 1.461 0.030 2 611 60 60 LYS HG3 H 1.431 0.030 2 612 60 60 LYS C C 177.212 0.300 1 613 60 60 LYS CA C 56.121 0.300 1 614 60 60 LYS CB C 32.951 0.300 1 615 60 60 LYS CD C 29.038 0.300 1 616 60 60 LYS CE C 42.220 0.300 1 617 60 60 LYS CG C 24.908 0.300 1 618 60 60 LYS N N 117.803 0.300 1 619 61 61 GLU H H 8.381 0.030 1 620 61 61 GLU HA H 2.603 0.030 1 621 61 61 GLU HB2 H 1.380 0.030 2 622 61 61 GLU HB3 H 1.303 0.030 2 623 61 61 GLU HG2 H 1.496 0.030 2 624 61 61 GLU HG3 H 1.445 0.030 2 625 61 61 GLU C C 178.058 0.300 1 626 61 61 GLU CA C 58.622 0.300 1 627 61 61 GLU CB C 28.709 0.300 1 628 61 61 GLU CG C 35.509 0.300 1 629 61 61 GLU N N 122.310 0.300 1 630 62 62 GLU H H 8.470 0.030 1 631 62 62 GLU HA H 3.919 0.030 1 632 62 62 GLU HB2 H 1.905 0.030 1 633 62 62 GLU HB3 H 1.905 0.030 1 634 62 62 GLU HG2 H 2.140 0.030 1 635 62 62 GLU HG3 H 2.140 0.030 1 636 62 62 GLU C C 176.293 0.300 1 637 62 62 GLU CA C 57.899 0.300 1 638 62 62 GLU CB C 28.796 0.300 1 639 62 62 GLU CG C 35.970 0.300 1 640 62 62 GLU N N 117.600 0.300 1 641 63 63 ALA H H 7.760 0.030 1 642 63 63 ALA HA H 4.443 0.030 1 643 63 63 ALA HB H 1.386 0.030 1 644 63 63 ALA C C 176.867 0.300 1 645 63 63 ALA CA C 51.095 0.300 1 646 63 63 ALA CB C 18.845 0.300 1 647 63 63 ALA N N 123.067 0.300 1 648 64 64 ALA H H 7.389 0.030 1 649 64 64 ALA HA H 4.175 0.030 1 650 64 64 ALA HB H 1.332 0.030 1 651 64 64 ALA C C 177.784 0.300 1 652 64 64 ALA CA C 53.099 0.300 1 653 64 64 ALA CB C 19.784 0.300 1 654 64 64 ALA N N 121.409 0.300 1 655 65 65 ASN H H 8.152 0.030 1 656 65 65 ASN HA H 4.714 0.030 1 657 65 65 ASN HB2 H 2.274 0.030 2 658 65 65 ASN HB3 H 1.551 0.030 2 659 65 65 ASN HD21 H 7.226 0.030 2 660 65 65 ASN HD22 H 6.986 0.030 2 661 65 65 ASN C C 173.533 0.300 1 662 65 65 ASN CA C 52.523 0.300 1 663 65 65 ASN CB C 40.739 0.300 1 664 65 65 ASN N N 119.620 0.300 1 665 65 65 ASN ND2 N 113.582 0.300 1 666 66 66 ARG H H 8.366 0.030 1 667 66 66 ARG HA H 5.760 0.030 1 668 66 66 ARG HB2 H 1.602 0.030 1 669 66 66 ARG HB3 H 1.602 0.030 1 670 66 66 ARG HD2 H 3.032 0.030 1 671 66 66 ARG HD3 H 3.032 0.030 1 672 66 66 ARG HG2 H 1.472 0.030 2 673 66 66 ARG HG3 H 1.356 0.030 2 674 66 66 ARG C C 175.946 0.300 1 675 66 66 ARG CA C 54.902 0.300 1 676 66 66 ARG CB C 34.116 0.300 1 677 66 66 ARG CD C 43.538 0.300 1 678 66 66 ARG CG C 27.308 0.300 1 679 66 66 ARG N N 116.911 0.300 1 680 67 67 VAL H H 9.057 0.030 1 681 67 67 VAL HA H 4.520 0.030 1 682 67 67 VAL HB H 2.040 0.030 1 683 67 67 VAL HG1 H 1.070 0.030 1 684 67 67 VAL HG2 H 1.051 0.030 1 685 67 67 VAL C C 173.731 0.300 1 686 67 67 VAL CA C 60.845 0.300 1 687 67 67 VAL CB C 35.917 0.300 1 688 67 67 VAL CG1 C 21.549 0.300 2 689 67 67 VAL CG2 C 21.512 0.300 2 690 67 67 VAL N N 122.047 0.300 1 691 68 68 GLN H H 8.741 0.030 1 692 68 68 GLN HA H 5.543 0.030 1 693 68 68 GLN HB2 H 1.996 0.030 2 694 68 68 GLN HB3 H 1.941 0.030 2 695 68 68 GLN HE21 H 7.494 0.030 2 696 68 68 GLN HE22 H 6.690 0.030 2 697 68 68 GLN HG2 H 2.246 0.030 1 698 68 68 GLN HG3 H 2.246 0.030 1 699 68 68 GLN C C 175.452 0.300 1 700 68 68 GLN CA C 54.462 0.300 1 701 68 68 GLN CB C 32.087 0.300 1 702 68 68 GLN CG C 34.146 0.300 1 703 68 68 GLN N N 124.250 0.300 1 704 68 68 GLN NE2 N 111.396 0.300 1 705 69 69 VAL H H 8.912 0.030 1 706 69 69 VAL HA H 5.012 0.030 1 707 69 69 VAL HB H 2.551 0.030 1 708 69 69 VAL HG1 H 1.135 0.030 1 709 69 69 VAL HG2 H 1.218 0.030 1 710 69 69 VAL C C 175.870 0.300 1 711 69 69 VAL CA C 59.045 0.300 1 712 69 69 VAL CB C 35.106 0.300 1 713 69 69 VAL CG1 C 21.953 0.300 2 714 69 69 VAL CG2 C 20.101 0.300 2 715 69 69 VAL N N 117.045 0.300 1 716 70 70 THR H H 8.491 0.030 1 717 70 70 THR HA H 4.585 0.030 1 718 70 70 THR HB H 4.792 0.030 1 719 70 70 THR HG2 H 1.499 0.030 1 720 70 70 THR C C 175.015 0.300 1 721 70 70 THR CA C 62.917 0.300 1 722 70 70 THR CB C 70.767 0.300 1 723 70 70 THR CG2 C 21.434 0.300 1 724 70 70 THR N N 111.495 0.300 1 725 71 71 SER H H 7.522 0.030 1 726 71 71 SER HA H 4.148 0.030 1 727 71 71 SER HB2 H 3.914 0.030 2 728 71 71 SER HB3 H 3.239 0.030 2 729 71 71 SER C C 174.340 0.300 1 730 71 71 SER CA C 59.749 0.300 1 731 71 71 SER CB C 63.060 0.300 1 732 71 71 SER N N 111.553 0.300 1 733 72 72 GLN H H 7.718 0.030 1 734 72 72 GLN HA H 4.428 0.030 1 735 72 72 GLN HB2 H 2.290 0.030 2 736 72 72 GLN HB3 H 1.996 0.030 2 737 72 72 GLN HG2 H 2.447 0.030 1 738 72 72 GLN HG3 H 2.447 0.030 1 739 72 72 GLN C C 176.456 0.300 1 740 72 72 GLN CA C 56.630 0.300 1 741 72 72 GLN CB C 29.373 0.300 1 742 72 72 GLN CG C 34.393 0.300 1 743 72 72 GLN N N 117.502 0.300 1 744 72 72 GLN NE2 N 110.905 0.300 1 745 73 73 GLU H H 7.650 0.030 1 746 73 73 GLU HA H 4.408 0.030 1 747 73 73 GLU HB2 H 2.344 0.030 1 748 73 73 GLU HB3 H 2.344 0.030 1 749 73 73 GLU HG2 H 2.424 0.030 1 750 73 73 GLU HG3 H 2.424 0.030 1 751 73 73 GLU C C 176.484 0.300 1 752 73 73 GLU CA C 56.472 0.300 1 753 73 73 GLU CB C 31.962 0.300 1 754 73 73 GLU CG C 37.689 0.300 1 755 73 73 GLU N N 119.175 0.300 1 756 74 74 TYR H H 8.615 0.030 1 757 74 74 TYR HA H 3.427 0.030 1 758 74 74 TYR HB2 H 2.785 0.030 2 759 74 74 TYR HB3 H 2.315 0.030 2 760 74 74 TYR HD1 H 6.879 0.030 1 761 74 74 TYR HD2 H 6.879 0.030 1 762 74 74 TYR HE1 H 6.525 0.030 1 763 74 74 TYR HE2 H 6.525 0.030 1 764 74 74 TYR C C 171.853 0.300 1 765 74 74 TYR CA C 56.565 0.300 1 766 74 74 TYR CB C 39.410 0.300 1 767 74 74 TYR CD1 C 133.482 0.300 1 768 74 74 TYR CD2 C 133.482 0.300 1 769 74 74 TYR CE1 C 117.515 0.300 1 770 74 74 TYR CE2 C 117.515 0.300 1 771 74 74 TYR N N 118.997 0.300 1 772 75 75 SER H H 6.801 0.030 1 773 75 75 SER HA H 5.001 0.030 1 774 75 75 SER HB2 H 3.478 0.030 1 775 75 75 SER HB3 H 3.478 0.030 1 776 75 75 SER C C 172.976 0.300 1 777 75 75 SER CA C 56.154 0.300 1 778 75 75 SER CB C 66.541 0.300 1 779 75 75 SER N N 109.803 0.300 1 780 76 76 ALA H H 8.897 0.030 1 781 76 76 ALA HA H 4.604 0.030 1 782 76 76 ALA HB H 1.362 0.030 1 783 76 76 ALA C C 174.777 0.300 1 784 76 76 ALA CA C 51.359 0.300 1 785 76 76 ALA CB C 23.140 0.300 1 786 76 76 ALA N N 120.416 0.300 1 787 77 77 ARG H H 8.529 0.030 1 788 77 77 ARG HA H 4.681 0.030 1 789 77 77 ARG HB2 H 1.751 0.030 2 790 77 77 ARG HB3 H 1.610 0.030 2 791 77 77 ARG HD2 H 3.152 0.030 2 792 77 77 ARG HD3 H 3.039 0.030 2 793 77 77 ARG HG2 H 1.365 0.030 2 794 77 77 ARG HG3 H 1.318 0.030 2 795 77 77 ARG C C 174.533 0.300 1 796 77 77 ARG CA C 54.973 0.300 1 797 77 77 ARG CB C 31.839 0.300 1 798 77 77 ARG CD C 43.126 0.300 1 799 77 77 ARG CG C 27.637 0.300 1 800 77 77 ARG N N 121.172 0.300 1 801 78 78 LEU H H 9.089 0.030 1 802 78 78 LEU HA H 4.396 0.030 1 803 78 78 LEU HB2 H 1.471 0.030 2 804 78 78 LEU HB3 H 0.489 0.030 2 805 78 78 LEU HD1 H -0.038 0.030 1 806 78 78 LEU HD2 H 0.217 0.030 1 807 78 78 LEU HG H 1.250 0.030 1 808 78 78 LEU C C 175.107 0.300 1 809 78 78 LEU CA C 53.333 0.300 1 810 78 78 LEU CB C 41.272 0.300 1 811 78 78 LEU CD1 C 23.970 0.300 2 812 78 78 LEU CD2 C 21.874 0.300 2 813 78 78 LEU CG C 26.430 0.300 1 814 78 78 LEU N N 126.698 0.300 1 815 79 79 GLU H H 8.239 0.030 1 816 79 79 GLU HA H 5.034 0.030 1 817 79 79 GLU HB2 H 1.952 0.030 2 818 79 79 GLU HB3 H 1.879 0.030 2 819 79 79 GLU HG2 H 2.052 0.030 1 820 79 79 GLU HG3 H 2.052 0.030 1 821 79 79 GLU C C 174.792 0.300 1 822 79 79 GLU CA C 54.056 0.300 1 823 79 79 GLU CB C 33.692 0.300 1 824 79 79 GLU CG C 36.453 0.300 1 825 79 79 GLU N N 119.147 0.300 1 826 80 80 ASN H H 9.068 0.030 1 827 80 80 ASN HA H 4.303 0.030 1 828 80 80 ASN HB2 H 3.021 0.030 2 829 80 80 ASN HB3 H 2.915 0.030 2 830 80 80 ASN HD21 H 7.689 0.030 2 831 80 80 ASN HD22 H 6.986 0.030 2 832 80 80 ASN C C 174.823 0.300 1 833 80 80 ASN CA C 54.462 0.300 1 834 80 80 ASN CB C 37.359 0.300 1 835 80 80 ASN N N 113.324 0.300 1 836 80 80 ASN ND2 N 114.807 0.300 1 837 81 81 LEU H H 8.671 0.030 1 838 81 81 LEU HA H 4.252 0.030 1 839 81 81 LEU HB2 H 1.274 0.030 2 840 81 81 LEU HB3 H 1.013 0.030 2 841 81 81 LEU HD1 H -0.116 0.030 1 842 81 81 LEU HD2 H 0.119 0.030 1 843 81 81 LEU HG H 1.032 0.030 1 844 81 81 LEU C C 175.804 0.300 1 845 81 81 LEU CA C 53.841 0.300 1 846 81 81 LEU CB C 40.891 0.300 1 847 81 81 LEU CD1 C 25.999 0.300 2 848 81 81 LEU CD2 C 21.046 0.300 2 849 81 81 LEU CG C 26.072 0.300 1 850 81 81 LEU N N 117.886 0.300 1 851 82 82 LEU H H 8.448 0.030 1 852 82 82 LEU HA H 4.600 0.030 1 853 82 82 LEU HB2 H 1.913 0.030 2 854 82 82 LEU HB3 H 1.477 0.030 2 855 82 82 LEU HD1 H 1.054 0.030 1 856 82 82 LEU HD2 H 0.964 0.030 1 857 82 82 LEU HG H 1.863 0.030 1 858 82 82 LEU C C 175.149 0.300 1 859 82 82 LEU CA C 52.629 0.300 1 860 82 82 LEU CB C 42.449 0.300 1 861 82 82 LEU CD1 C 25.767 0.300 2 862 82 82 LEU CD2 C 22.920 0.300 2 863 82 82 LEU CG C 27.119 0.300 1 864 82 82 LEU N N 121.118 0.300 1 865 83 83 PRO HA H 5.237 0.030 1 866 83 83 PRO HB2 H 2.363 0.030 2 867 83 83 PRO HB3 H 1.997 0.030 2 868 83 83 PRO HD2 H 3.994 0.030 2 869 83 83 PRO HD3 H 3.619 0.030 2 870 83 83 PRO HG2 H 2.075 0.030 2 871 83 83 PRO HG3 H 2.007 0.030 2 872 83 83 PRO C C 178.145 0.300 1 873 83 83 PRO CA C 62.472 0.300 1 874 83 83 PRO CB C 33.232 0.300 1 875 83 83 PRO CD C 50.515 0.300 1 876 83 83 PRO CG C 26.978 0.300 1 877 84 84 ASP H H 7.943 0.030 1 878 84 84 ASP HA H 4.208 0.030 1 879 84 84 ASP HB2 H 3.130 0.030 2 880 84 84 ASP HB3 H 2.078 0.030 2 881 84 84 ASP C C 174.476 0.300 1 882 84 84 ASP CA C 54.250 0.300 1 883 84 84 ASP CB C 41.568 0.300 1 884 84 84 ASP N N 126.496 0.300 1 885 85 85 THR H H 8.261 0.030 1 886 85 85 THR HA H 4.381 0.030 1 887 85 85 THR HB H 3.830 0.030 1 888 85 85 THR HG2 H 0.750 0.030 1 889 85 85 THR C C 170.639 0.300 1 890 85 85 THR CA C 62.951 0.300 1 891 85 85 THR CB C 72.217 0.300 1 892 85 85 THR CG2 C 20.906 0.300 1 893 85 85 THR N N 114.015 0.300 1 894 86 86 GLN H H 8.221 0.030 1 895 86 86 GLN HA H 3.664 0.030 1 896 86 86 GLN HB2 H 1.583 0.030 2 897 86 86 GLN HB3 H 0.908 0.030 2 898 86 86 GLN HE21 H 6.956 0.030 2 899 86 86 GLN HE22 H 6.654 0.030 2 900 86 86 GLN HG2 H 0.984 0.030 1 901 86 86 GLN HG3 H 0.984 0.030 1 902 86 86 GLN C C 172.890 0.300 1 903 86 86 GLN CA C 54.585 0.300 1 904 86 86 GLN CB C 28.836 0.300 1 905 86 86 GLN CG C 32.621 0.300 1 906 86 86 GLN N N 127.039 0.300 1 907 86 86 GLN NE2 N 112.954 0.300 1 908 87 87 TYR H H 8.976 0.030 1 909 87 87 TYR HA H 4.583 0.030 1 910 87 87 TYR HB2 H 2.385 0.030 2 911 87 87 TYR HB3 H 2.271 0.030 2 912 87 87 TYR HD1 H 6.878 0.030 1 913 87 87 TYR HD2 H 6.878 0.030 1 914 87 87 TYR HE1 H 6.887 0.030 1 915 87 87 TYR HE2 H 6.887 0.030 1 916 87 87 TYR C C 173.534 0.300 1 917 87 87 TYR CA C 57.599 0.300 1 918 87 87 TYR CB C 42.344 0.300 1 919 87 87 TYR CD1 C 133.491 0.300 1 920 87 87 TYR CD2 C 133.491 0.300 1 921 87 87 TYR CE1 C 118.309 0.300 1 922 87 87 TYR CE2 C 118.309 0.300 1 923 87 87 TYR N N 126.060 0.300 1 924 88 88 PHE H H 8.388 0.030 1 925 88 88 PHE HA H 4.902 0.030 1 926 88 88 PHE HB2 H 2.145 0.030 2 927 88 88 PHE HB3 H 0.818 0.030 2 928 88 88 PHE HD1 H 6.659 0.030 1 929 88 88 PHE HD2 H 6.659 0.030 1 930 88 88 PHE HE1 H 7.068 0.030 1 931 88 88 PHE HE2 H 7.068 0.030 1 932 88 88 PHE HZ H 7.030 0.030 1 933 88 88 PHE C C 175.238 0.300 1 934 88 88 PHE CA C 55.872 0.300 1 935 88 88 PHE CB C 40.284 0.300 1 936 88 88 PHE CD1 C 131.594 0.300 1 937 88 88 PHE CD2 C 131.594 0.300 1 938 88 88 PHE CE1 C 130.261 0.300 1 939 88 88 PHE CE2 C 130.261 0.300 1 940 88 88 PHE CZ C 128.848 0.300 1 941 88 88 PHE N N 118.991 0.300 1 942 89 89 ILE H H 8.450 0.030 1 943 89 89 ILE HA H 4.913 0.030 1 944 89 89 ILE HB H 1.337 0.030 1 945 89 89 ILE HD1 H 0.453 0.030 1 946 89 89 ILE HG12 H 1.309 0.030 2 947 89 89 ILE HG13 H 0.670 0.030 2 948 89 89 ILE HG2 H 0.613 0.030 1 949 89 89 ILE C C 174.770 0.300 1 950 89 89 ILE CA C 60.472 0.300 1 951 89 89 ILE CB C 43.167 0.300 1 952 89 89 ILE CD1 C 15.554 0.300 1 953 89 89 ILE CG1 C 28.576 0.300 1 954 89 89 ILE CG2 C 18.956 0.300 1 955 89 89 ILE N N 118.943 0.300 1 956 90 90 GLU H H 9.071 0.030 1 957 90 90 GLU HA H 4.558 0.030 1 958 90 90 GLU HB2 H 2.053 0.030 1 959 90 90 GLU HB3 H 2.053 0.030 1 960 90 90 GLU HG2 H 2.437 0.030 2 961 90 90 GLU HG3 H 2.255 0.030 2 962 90 90 GLU C C 173.981 0.300 1 963 90 90 GLU CA C 54.831 0.300 1 964 90 90 GLU CB C 35.052 0.300 1 965 90 90 GLU CG C 36.279 0.300 1 966 90 90 GLU N N 124.044 0.300 1 967 91 91 VAL H H 8.564 0.030 1 968 91 91 VAL HA H 4.968 0.030 1 969 91 91 VAL HB H 1.389 0.030 1 970 91 91 VAL HG1 H 0.512 0.030 1 971 91 91 VAL HG2 H -0.158 0.030 1 972 91 91 VAL C C 174.488 0.300 1 973 91 91 VAL CA C 60.525 0.300 1 974 91 91 VAL CB C 34.308 0.300 1 975 91 91 VAL CG1 C 21.854 0.300 2 976 91 91 VAL CG2 C 19.816 0.300 2 977 91 91 VAL N N 121.165 0.300 1 978 92 92 GLY H H 8.941 0.030 1 979 92 92 GLY HA2 H 4.571 0.030 2 980 92 92 GLY HA3 H 3.581 0.030 2 981 92 92 GLY C C 171.577 0.300 1 982 92 92 GLY CA C 43.640 0.300 1 983 92 92 GLY N N 112.251 0.300 1 984 93 93 ALA H H 10.001 0.030 1 985 93 93 ALA HA H 4.560 0.030 1 986 93 93 ALA HB H 1.319 0.030 1 987 93 93 ALA C C 176.786 0.300 1 988 93 93 ALA CA C 51.060 0.300 1 989 93 93 ALA CB C 21.088 0.300 1 990 93 93 ALA N N 126.200 0.300 1 991 94 94 CYS H H 8.739 0.030 1 992 94 94 CYS HA H 5.214 0.030 1 993 94 94 CYS HB2 H 2.788 0.030 1 994 94 94 CYS HB3 H 2.788 0.030 1 995 94 94 CYS C C 174.087 0.300 1 996 94 94 CYS CA C 57.088 0.300 1 997 94 94 CYS CB C 31.345 0.300 1 998 94 94 CYS N N 118.064 0.300 1 999 95 95 ASN H H 8.968 0.030 1 1000 95 95 ASN HA H 4.593 0.030 1 1001 95 95 ASN HB2 H 3.414 0.030 2 1002 95 95 ASN HB3 H 3.315 0.030 2 1003 95 95 ASN HD21 H 7.719 0.030 2 1004 95 95 ASN HD22 H 7.340 0.030 2 1005 95 95 ASN C C 176.009 0.300 1 1006 95 95 ASN CA C 52.981 0.300 1 1007 95 95 ASN CB C 39.336 0.300 1 1008 95 95 ASN N N 121.604 0.300 1 1009 95 95 ASN ND2 N 108.900 0.300 1 1010 96 96 SER H H 8.483 0.030 1 1011 96 96 SER HA H 4.085 0.030 1 1012 96 96 SER HB2 H 3.951 0.030 1 1013 96 96 SER HB3 H 3.951 0.030 1 1014 96 96 SER C C 174.700 0.300 1 1015 96 96 SER CA C 61.600 0.300 1 1016 96 96 SER CB C 62.794 0.300 1 1017 96 96 SER N N 113.664 0.300 1 1018 97 97 ALA H H 8.187 0.030 1 1019 97 97 ALA HA H 4.357 0.030 1 1020 97 97 ALA HB H 1.220 0.030 1 1021 97 97 ALA C C 177.600 0.300 1 1022 97 97 ALA CA C 52.681 0.300 1 1023 97 97 ALA CB C 19.192 0.300 1 1024 97 97 ALA N N 123.374 0.300 1 1025 98 98 GLY H H 7.800 0.030 1 1026 98 98 GLY HA2 H 4.444 0.030 2 1027 98 98 GLY HA3 H 3.840 0.030 2 1028 98 98 GLY C C 171.071 0.300 1 1029 98 98 GLY CA C 44.809 0.300 1 1030 98 98 GLY N N 106.029 0.300 1 1031 99 99 CYS H H 8.399 0.030 1 1032 99 99 CYS HA H 4.891 0.030 1 1033 99 99 CYS HB2 H 2.970 0.030 2 1034 99 99 CYS HB3 H 2.678 0.030 2 1035 99 99 CYS C C 175.557 0.300 1 1036 99 99 CYS CA C 57.670 0.300 1 1037 99 99 CYS CB C 29.469 0.300 1 1038 99 99 CYS N N 117.855 0.300 1 1039 100 100 GLY H H 8.930 0.030 1 1040 100 100 GLY HA2 H 4.282 0.030 2 1041 100 100 GLY HA3 H 3.764 0.030 2 1042 100 100 GLY C C 170.974 0.300 1 1043 100 100 GLY CA C 45.578 0.300 1 1044 100 100 GLY N N 113.025 0.300 1 1045 101 101 PRO HA H 4.616 0.030 1 1046 101 101 PRO HB2 H 2.275 0.030 2 1047 101 101 PRO HB3 H 1.874 0.030 2 1048 101 101 PRO HD2 H 3.437 0.030 2 1049 101 101 PRO HD3 H 3.052 0.030 2 1050 101 101 PRO HG2 H 1.944 0.030 2 1051 101 101 PRO HG3 H 1.850 0.030 2 1052 101 101 PRO CA C 60.598 0.300 1 1053 101 101 PRO CB C 30.874 0.300 1 1054 101 101 PRO CD C 49.553 0.300 1 1055 101 101 PRO CG C 27.261 0.300 1 1056 102 102 PRO HA H 4.659 0.030 1 1057 102 102 PRO HB2 H 2.125 0.030 2 1058 102 102 PRO HB3 H 1.997 0.030 2 1059 102 102 PRO HD2 H 3.664 0.030 1 1060 102 102 PRO HD3 H 3.664 0.030 1 1061 102 102 PRO HG2 H 1.996 0.030 1 1062 102 102 PRO HG3 H 1.996 0.030 1 1063 102 102 PRO C C 178.078 0.300 1 1064 102 102 PRO CA C 62.111 0.300 1 1065 102 102 PRO CB C 32.383 0.300 1 1066 102 102 PRO CD C 49.970 0.300 1 1067 102 102 PRO CG C 27.067 0.300 1 1068 103 103 SER H H 8.732 0.030 1 1069 103 103 SER HA H 4.222 0.030 1 1070 103 103 SER HB2 H 4.268 0.030 2 1071 103 103 SER HB3 H 3.898 0.030 2 1072 103 103 SER C C 173.155 0.300 1 1073 103 103 SER CA C 58.321 0.300 1 1074 103 103 SER CB C 65.815 0.300 1 1075 103 103 SER N N 113.387 0.300 1 1076 104 104 ASP H H 8.248 0.030 1 1077 104 104 ASP HA H 4.472 0.030 1 1078 104 104 ASP HB2 H 2.729 0.030 2 1079 104 104 ASP HB3 H 2.546 0.030 2 1080 104 104 ASP C C 176.703 0.300 1 1081 104 104 ASP CA C 55.573 0.300 1 1082 104 104 ASP CB C 40.583 0.300 1 1083 104 104 ASP N N 119.021 0.300 1 1084 105 105 MET H H 8.460 0.030 1 1085 105 105 MET HA H 4.542 0.030 1 1086 105 105 MET HB2 H 2.249 0.030 2 1087 105 105 MET HB3 H 2.078 0.030 2 1088 105 105 MET HE H 1.911 0.030 1 1089 105 105 MET HG2 H 2.417 0.030 1 1090 105 105 MET HG3 H 2.417 0.030 1 1091 105 105 MET C C 175.687 0.300 1 1092 105 105 MET CA C 56.348 0.300 1 1093 105 105 MET CB C 33.610 0.300 1 1094 105 105 MET CE C 16.796 0.300 1 1095 105 105 MET CG C 31.284 0.300 1 1096 105 105 MET N N 124.915 0.300 1 1097 106 106 ILE H H 8.914 0.030 1 1098 106 106 ILE HA H 4.571 0.030 1 1099 106 106 ILE HB H 1.760 0.030 1 1100 106 106 ILE HD1 H 0.751 0.030 1 1101 106 106 ILE HG12 H 1.359 0.030 2 1102 106 106 ILE HG13 H 1.237 0.030 2 1103 106 106 ILE HG2 H 0.865 0.030 1 1104 106 106 ILE C C 173.498 0.300 1 1105 106 106 ILE CA C 59.185 0.300 1 1106 106 106 ILE CB C 40.786 0.300 1 1107 106 106 ILE CD1 C 13.927 0.300 1 1108 106 106 ILE CG1 C 27.616 0.300 1 1109 106 106 ILE CG2 C 18.109 0.300 1 1110 106 106 ILE N N 126.141 0.300 1 1111 107 107 GLU H H 7.999 0.030 1 1112 107 107 GLU HA H 5.373 0.030 1 1113 107 107 GLU HB2 H 1.743 0.030 2 1114 107 107 GLU HB3 H 1.644 0.030 2 1115 107 107 GLU HG2 H 2.000 0.030 2 1116 107 107 GLU HG3 H 1.970 0.030 2 1117 107 107 GLU C C 175.263 0.300 1 1118 107 107 GLU CA C 53.343 0.300 1 1119 107 107 GLU CB C 32.951 0.300 1 1120 107 107 GLU CG C 35.597 0.300 1 1121 107 107 GLU N N 121.346 0.300 1 1122 108 108 ALA H H 8.685 0.030 1 1123 108 108 ALA HA H 4.549 0.030 1 1124 108 108 ALA HB H 1.094 0.030 1 1125 108 108 ALA C C 174.431 0.300 1 1126 108 108 ALA CA C 51.113 0.300 1 1127 108 108 ALA CB C 23.724 0.300 1 1128 108 108 ALA N N 123.009 0.300 1 1129 109 109 PHE H H 8.519 0.030 1 1130 109 109 PHE HA H 5.481 0.030 1 1131 109 109 PHE HB2 H 2.875 0.030 2 1132 109 109 PHE HB3 H 2.770 0.030 2 1133 109 109 PHE HD1 H 7.088 0.030 1 1134 109 109 PHE HD2 H 7.088 0.030 1 1135 109 109 PHE HE1 H 7.244 0.030 1 1136 109 109 PHE HE2 H 7.244 0.030 1 1137 109 109 PHE HZ H 7.147 0.030 1 1138 109 109 PHE C C 177.604 0.300 1 1139 109 109 PHE CA C 55.854 0.300 1 1140 109 109 PHE CB C 41.019 0.300 1 1141 109 109 PHE CD1 C 131.716 0.300 1 1142 109 109 PHE CD2 C 131.716 0.300 1 1143 109 109 PHE CE1 C 131.539 0.300 1 1144 109 109 PHE CE2 C 131.539 0.300 1 1145 109 109 PHE CZ C 129.600 0.300 1 1146 109 109 PHE N N 119.997 0.300 1 1147 110 110 THR H H 8.839 0.030 1 1148 110 110 THR HA H 4.103 0.030 1 1149 110 110 THR HB H 4.560 0.030 1 1150 110 110 THR HG2 H 1.091 0.030 1 1151 110 110 THR C C 175.354 0.300 1 1152 110 110 THR CA C 61.763 0.300 1 1153 110 110 THR CB C 69.356 0.300 1 1154 110 110 THR CG2 C 25.001 0.300 1 1155 110 110 THR N N 112.067 0.300 1 1156 111 111 LYS H H 6.542 0.030 1 1157 111 111 LYS HA H 4.208 0.030 1 1158 111 111 LYS HB2 H 2.052 0.030 2 1159 111 111 LYS HB3 H 1.190 0.030 2 1160 111 111 LYS HD2 H 1.669 0.030 2 1161 111 111 LYS HD3 H 1.493 0.030 2 1162 111 111 LYS HE2 H 2.873 0.030 2 1163 111 111 LYS HE3 H 2.818 0.030 2 1164 111 111 LYS HG2 H 1.398 0.030 2 1165 111 111 LYS HG3 H 1.312 0.030 2 1166 111 111 LYS C C 176.693 0.300 1 1167 111 111 LYS CA C 56.383 0.300 1 1168 111 111 LYS CB C 33.447 0.300 1 1169 111 111 LYS CD C 29.296 0.300 1 1170 111 111 LYS CE C 42.055 0.300 1 1171 111 111 LYS CG C 25.692 0.300 1 1172 111 111 LYS N N 116.497 0.300 1 1173 112 112 LYS H H 8.230 0.030 1 1174 112 112 LYS HA H 4.143 0.030 1 1175 112 112 LYS HB2 H 1.841 0.030 2 1176 112 112 LYS HB3 H 1.653 0.030 2 1177 112 112 LYS HD2 H 1.644 0.030 2 1178 112 112 LYS HD3 H 1.489 0.030 2 1179 112 112 LYS HE2 H 2.960 0.030 2 1180 112 112 LYS HG2 H 1.500 0.030 2 1181 112 112 LYS HG3 H 1.391 0.030 2 1182 112 112 LYS C C 176.823 0.300 1 1183 112 112 LYS CA C 57.229 0.300 1 1184 112 112 LYS CB C 33.528 0.300 1 1185 112 112 LYS CD C 29.304 0.300 1 1186 112 112 LYS CE C 42.302 0.300 1 1187 112 112 LYS CG C 25.745 0.300 1 1188 112 112 LYS N N 118.783 0.300 1 1189 113 113 ALA H H 8.762 0.030 1 1190 113 113 ALA HA H 4.338 0.030 1 1191 113 113 ALA HB H 1.402 0.030 1 1192 113 113 ALA C C 177.688 0.300 1 1193 113 113 ALA CA C 52.417 0.300 1 1194 113 113 ALA CB C 19.272 0.300 1 1195 113 113 ALA N N 124.432 0.300 1 1196 114 114 SER H H 8.386 0.030 1 1197 114 114 SER HA H 4.487 0.030 1 1198 114 114 SER HB2 H 3.874 0.030 1 1199 114 114 SER HB3 H 3.874 0.030 1 1200 114 114 SER C C 174.474 0.300 1 1201 114 114 SER CA C 58.063 0.300 1 1202 114 114 SER CB C 64.012 0.300 1 1203 114 114 SER N N 115.798 0.300 1 1204 115 115 GLY H H 8.278 0.030 1 1205 115 115 GLY HA2 H 4.172 0.030 2 1206 115 115 GLY HA3 H 4.094 0.030 2 1207 115 115 GLY C C 171.799 0.300 1 1208 115 115 GLY CA C 44.662 0.300 1 1209 115 115 GLY N N 110.600 0.300 1 1210 116 116 PRO HA H 4.472 0.030 1 1211 116 116 PRO HB2 H 2.296 0.030 1 1212 116 116 PRO HB3 H 2.296 0.030 1 1213 116 116 PRO HD2 H 3.625 0.030 1 1214 116 116 PRO HD3 H 3.625 0.030 1 1215 116 116 PRO HG2 H 2.005 0.030 1 1216 116 116 PRO HG3 H 2.005 0.030 1 1217 116 116 PRO C C 177.440 0.300 1 1218 116 116 PRO CA C 63.275 0.300 1 1219 116 116 PRO CB C 32.169 0.300 1 1220 116 116 PRO CD C 49.815 0.300 1 1221 116 116 PRO CG C 27.131 0.300 1 1222 117 117 SER HA H 4.505 0.030 1 1223 117 117 SER HB2 H 3.911 0.030 2 1224 117 117 SER C C 174.652 0.300 1 1225 117 117 SER CA C 58.393 0.300 1 1226 117 117 SER CB C 63.899 0.300 1 1227 117 117 SER N N 116.140 0.300 1 1228 118 118 SER H H 8.314 0.030 1 1229 118 118 SER HA H 4.494 0.030 1 1230 118 118 SER HB2 H 3.878 0.030 2 1231 118 118 SER C C 173.938 0.300 1 1232 118 118 SER CA C 58.428 0.300 1 1233 118 118 SER CB C 63.929 0.300 1 1234 118 118 SER N N 117.760 0.300 1 1235 119 119 GLY H H 8.053 0.030 1 1236 119 119 GLY C C 179.033 0.300 1 1237 119 119 GLY CA C 46.178 0.300 1 1238 119 119 GLY N N 116.860 0.300 1 stop_ save_