data_10263 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structures of the 6th fn3 domain of human receptor-type tyrosine-protein phosphatase F ; _BMRB_accession_number 10263 _BMRB_flat_file_name bmr10263.str _Entry_type new _Submission_date 2008-11-21 _Accession_date 2008-11-21 _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" 595 "13C chemical shifts" 447 "15N chemical shifts" 103 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-11-24 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structures of the 6th fn3 domain of human receptor-type tyrosine-protein phosphatase F ; _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 'Receptor-type tyrosine-protein phosphatase F' _Enzyme_commission_number E.C.3.1.3.48 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 107 _Mol_residue_sequence ; GSSGSSGPGRPTMMISTTAM NTALLQWHPPKELPGELLGY RLQYCRADEARPNTIDFGKD DQHFTVTGLHKGTTYIFRLA AKNRAGLGEEFEKEIRTPED LSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 PRO 9 GLY 10 ARG 11 PRO 12 THR 13 MET 14 MET 15 ILE 16 SER 17 THR 18 THR 19 ALA 20 MET 21 ASN 22 THR 23 ALA 24 LEU 25 LEU 26 GLN 27 TRP 28 HIS 29 PRO 30 PRO 31 LYS 32 GLU 33 LEU 34 PRO 35 GLY 36 GLU 37 LEU 38 LEU 39 GLY 40 TYR 41 ARG 42 LEU 43 GLN 44 TYR 45 CYS 46 ARG 47 ALA 48 ASP 49 GLU 50 ALA 51 ARG 52 PRO 53 ASN 54 THR 55 ILE 56 ASP 57 PHE 58 GLY 59 LYS 60 ASP 61 ASP 62 GLN 63 HIS 64 PHE 65 THR 66 VAL 67 THR 68 GLY 69 LEU 70 HIS 71 LYS 72 GLY 73 THR 74 THR 75 TYR 76 ILE 77 PHE 78 ARG 79 LEU 80 ALA 81 ALA 82 LYS 83 ASN 84 ARG 85 ALA 86 GLY 87 LEU 88 GLY 89 GLU 90 GLU 91 PHE 92 GLU 93 LYS 94 GLU 95 ILE 96 ARG 97 THR 98 PRO 99 GLU 100 ASP 101 LEU 102 SER 103 GLY 104 PRO 105 SER 106 SER 107 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2DN7 "Solution Structures Of The 6th Fn3 Domain Of Human Receptor- Type Tyrosine-Protein Phosphatase F" 100.00 107 100.00 100.00 2.99e-72 DBJ BAG54183 "unnamed protein product [Homo sapiens]" 87.85 1266 100.00 100.00 1.44e-57 EMBL CAD97607 "hypothetical protein [Homo sapiens]" 87.85 1191 100.00 100.00 1.58e-57 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 P050719-01 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 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 0.932 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 2 2 SER C C 174.723 0.300 1 2 2 2 SER CA C 58.446 0.300 1 3 2 2 SER CB C 63.566 0.300 1 4 3 3 SER H H 8.350 0.030 1 5 3 3 SER C C 173.961 0.300 1 6 3 3 SER CA C 58.428 0.300 1 7 3 3 SER CB C 63.937 0.300 1 8 3 3 SER N N 117.923 0.300 1 9 4 4 GLY H H 8.050 0.030 1 10 4 4 GLY C C 179.009 0.300 1 11 4 4 GLY CA C 46.174 0.300 1 12 4 4 GLY N N 116.890 0.300 1 13 7 7 GLY HA2 H 4.340 0.030 2 14 7 7 GLY HA3 H 3.629 0.030 2 15 7 7 GLY CA C 44.381 0.300 1 16 8 8 PRO HA H 4.476 0.030 1 17 8 8 PRO HB2 H 2.240 0.030 2 18 8 8 PRO HB3 H 2.088 0.030 2 19 8 8 PRO HD2 H 3.573 0.030 2 20 8 8 PRO HD3 H 3.250 0.030 2 21 8 8 PRO HG2 H 1.771 0.030 2 22 8 8 PRO HG3 H 1.660 0.030 2 23 8 8 PRO C C 176.235 0.300 1 24 8 8 PRO CA C 62.995 0.300 1 25 8 8 PRO CB C 33.266 0.300 1 26 8 8 PRO CD C 49.333 0.300 1 27 8 8 PRO CG C 27.633 0.300 1 28 9 9 GLY H H 8.585 0.030 1 29 9 9 GLY HA2 H 4.326 0.030 2 30 9 9 GLY HA3 H 4.009 0.030 2 31 9 9 GLY C C 172.998 0.300 1 32 9 9 GLY CA C 44.393 0.300 1 33 9 9 GLY N N 106.004 0.300 1 34 10 10 ARG H H 8.548 0.030 1 35 10 10 ARG HA H 4.654 0.030 1 36 10 10 ARG HB2 H 1.927 0.030 2 37 10 10 ARG HB3 H 1.828 0.030 2 38 10 10 ARG HD2 H 3.328 0.030 2 39 10 10 ARG HG2 H 1.810 0.030 2 40 10 10 ARG HG3 H 1.750 0.030 2 41 10 10 ARG C C 175.780 0.300 1 42 10 10 ARG CA C 54.708 0.300 1 43 10 10 ARG CB C 31.448 0.300 1 44 10 10 ARG CG C 27.249 0.300 1 45 10 10 ARG N N 119.407 0.300 1 46 11 11 PRO HA H 4.611 0.030 1 47 11 11 PRO HB2 H 2.231 0.030 2 48 11 11 PRO HB3 H 2.110 0.030 2 49 11 11 PRO HD2 H 4.475 0.030 2 50 11 11 PRO HD3 H 3.945 0.030 2 51 11 11 PRO HG2 H 2.017 0.030 2 52 11 11 PRO HG3 H 1.770 0.030 2 53 11 11 PRO C C 173.510 0.300 1 54 11 11 PRO CA C 62.360 0.300 1 55 11 11 PRO CB C 33.402 0.300 1 56 11 11 PRO CD C 50.031 0.300 1 57 11 11 PRO CG C 27.633 0.300 1 58 12 12 THR H H 7.572 0.030 1 59 12 12 THR HA H 3.796 0.030 1 60 12 12 THR HB H 3.771 0.030 1 61 12 12 THR HG2 H 1.094 0.030 1 62 12 12 THR C C 172.337 0.300 1 63 12 12 THR CA C 61.778 0.300 1 64 12 12 THR CB C 70.561 0.300 1 65 12 12 THR CG2 C 21.869 0.300 1 66 12 12 THR N N 109.653 0.300 1 67 13 13 MET H H 5.605 0.030 1 68 13 13 MET HA H 5.091 0.030 1 69 13 13 MET HB2 H 1.586 0.030 2 70 13 13 MET HB3 H 1.431 0.030 2 71 13 13 MET HE H 1.874 0.030 1 72 13 13 MET HG2 H 2.289 0.030 2 73 13 13 MET HG3 H 2.122 0.030 2 74 13 13 MET C C 172.639 0.300 1 75 13 13 MET CA C 54.168 0.300 1 76 13 13 MET CB C 37.632 0.300 1 77 13 13 MET CE C 16.989 0.300 1 78 13 13 MET CG C 30.913 0.300 1 79 13 13 MET N N 121.634 0.300 1 80 14 14 MET H H 9.254 0.030 1 81 14 14 MET HA H 4.662 0.030 1 82 14 14 MET HB2 H 2.048 0.030 2 83 14 14 MET HB3 H 1.867 0.030 2 84 14 14 MET HE H 1.909 0.030 1 85 14 14 MET HG2 H 2.534 0.030 2 86 14 14 MET HG3 H 2.482 0.030 2 87 14 14 MET C C 174.388 0.300 1 88 14 14 MET CA C 54.673 0.300 1 89 14 14 MET CB C 34.907 0.300 1 90 14 14 MET CE C 16.937 0.300 1 91 14 14 MET CG C 32.258 0.300 1 92 14 14 MET N N 125.746 0.300 1 93 15 15 ILE H H 8.555 0.030 1 94 15 15 ILE HA H 4.882 0.030 1 95 15 15 ILE HB H 1.454 0.030 1 96 15 15 ILE HD1 H 0.367 0.030 1 97 15 15 ILE HG12 H 1.303 0.030 2 98 15 15 ILE HG13 H 0.648 0.030 2 99 15 15 ILE HG2 H 0.373 0.030 1 100 15 15 ILE C C 174.962 0.300 1 101 15 15 ILE CA C 60.685 0.300 1 102 15 15 ILE CB C 40.878 0.300 1 103 15 15 ILE CD1 C 14.475 0.300 1 104 15 15 ILE CG1 C 27.276 0.300 1 105 15 15 ILE CG2 C 17.165 0.300 1 106 15 15 ILE N N 121.623 0.300 1 107 16 16 SER H H 8.703 0.030 1 108 16 16 SER HA H 4.922 0.030 1 109 16 16 SER HB2 H 3.818 0.030 2 110 16 16 SER HB3 H 3.749 0.030 2 111 16 16 SER C C 173.860 0.300 1 112 16 16 SER CA C 56.524 0.300 1 113 16 16 SER CB C 65.004 0.300 1 114 16 16 SER N N 122.261 0.300 1 115 17 17 THR H H 8.759 0.030 1 116 17 17 THR HA H 4.885 0.030 1 117 17 17 THR HB H 4.396 0.030 1 118 17 17 THR HG2 H 1.079 0.030 1 119 17 17 THR C C 175.018 0.300 1 120 17 17 THR CA C 60.315 0.300 1 121 17 17 THR CB C 69.799 0.300 1 122 17 17 THR CG2 C 21.864 0.300 1 123 17 17 THR N N 115.660 0.300 1 124 18 18 THR H H 8.038 0.030 1 125 18 18 THR HA H 4.596 0.030 1 126 18 18 THR HB H 4.390 0.030 1 127 18 18 THR HG2 H 1.022 0.030 1 128 18 18 THR CA C 60.707 0.300 1 129 18 18 THR CB C 71.082 0.300 1 130 18 18 THR CG2 C 21.019 0.300 1 131 18 18 THR N N 112.362 0.300 1 132 19 19 ALA H H 8.545 0.030 1 133 19 19 ALA HA H 4.412 0.030 1 134 19 19 ALA HB H 1.446 0.030 1 135 19 19 ALA C C 177.034 0.300 1 136 19 19 ALA CA C 52.264 0.300 1 137 19 19 ALA CB C 19.292 0.300 1 138 19 19 ALA N N 119.589 0.300 1 139 20 20 MET H H 8.145 0.030 1 140 20 20 MET HA H 4.447 0.030 1 141 20 20 MET HB2 H 2.145 0.030 2 142 20 20 MET HB3 H 1.956 0.030 2 143 20 20 MET HE H 2.050 0.030 1 144 20 20 MET HG2 H 2.568 0.030 2 145 20 20 MET HG3 H 2.486 0.030 2 146 20 20 MET C C 175.676 0.300 1 147 20 20 MET CA C 55.764 0.300 1 148 20 20 MET CB C 31.495 0.300 1 149 20 20 MET CE C 16.950 0.300 1 150 20 20 MET CG C 32.242 0.300 1 151 20 20 MET N N 116.950 0.300 1 152 21 21 ASN H H 8.275 0.030 1 153 21 21 ASN HA H 4.452 0.030 1 154 21 21 ASN HB2 H 3.177 0.030 2 155 21 21 ASN HB3 H 3.076 0.030 2 156 21 21 ASN HD21 H 7.596 0.030 2 157 21 21 ASN HD22 H 6.703 0.030 2 158 21 21 ASN C C 174.100 0.300 1 159 21 21 ASN CA C 54.320 0.300 1 160 21 21 ASN CB C 37.234 0.300 1 161 21 21 ASN N N 113.198 0.300 1 162 21 21 ASN ND2 N 111.482 0.300 1 163 22 22 THR H H 7.071 0.030 1 164 22 22 THR HA H 5.218 0.030 1 165 22 22 THR HB H 3.900 0.030 1 166 22 22 THR HG2 H 0.974 0.030 1 167 22 22 THR C C 173.301 0.300 1 168 22 22 THR CA C 59.399 0.300 1 169 22 22 THR CB C 72.714 0.300 1 170 22 22 THR CG2 C 21.938 0.300 1 171 22 22 THR N N 107.603 0.300 1 172 23 23 ALA H H 8.687 0.030 1 173 23 23 ALA HA H 4.925 0.030 1 174 23 23 ALA HB H 0.793 0.030 1 175 23 23 ALA C C 174.100 0.300 1 176 23 23 ALA CA C 50.812 0.300 1 177 23 23 ALA CB C 21.122 0.300 1 178 23 23 ALA N N 121.937 0.300 1 179 24 24 LEU H H 8.833 0.030 1 180 24 24 LEU HA H 4.673 0.030 1 181 24 24 LEU HB2 H 1.599 0.030 2 182 24 24 LEU HB3 H 1.396 0.030 2 183 24 24 LEU HD1 H 0.704 0.030 1 184 24 24 LEU HD2 H 0.681 0.030 1 185 24 24 LEU HG H 1.258 0.030 1 186 24 24 LEU C C 175.140 0.300 1 187 24 24 LEU CA C 54.320 0.300 1 188 24 24 LEU CB C 42.518 0.300 1 189 24 24 LEU CD1 C 23.646 0.300 2 190 24 24 LEU CD2 C 25.182 0.300 2 191 24 24 LEU CG C 27.796 0.300 1 192 24 24 LEU N N 123.721 0.300 1 193 25 25 LEU H H 9.176 0.030 1 194 25 25 LEU HA H 5.112 0.030 1 195 25 25 LEU HB2 H 2.070 0.030 2 196 25 25 LEU HB3 H 1.693 0.030 2 197 25 25 LEU HD1 H 0.617 0.030 1 198 25 25 LEU HD2 H 0.731 0.030 1 199 25 25 LEU HG H 1.635 0.030 1 200 25 25 LEU C C 176.414 0.300 1 201 25 25 LEU CA C 54.108 0.300 1 202 25 25 LEU CB C 43.230 0.300 1 203 25 25 LEU CD1 C 26.816 0.300 2 204 25 25 LEU CD2 C 25.889 0.300 2 205 25 25 LEU CG C 28.999 0.300 1 206 25 25 LEU N N 128.589 0.300 1 207 26 26 GLN H H 8.556 0.030 1 208 26 26 GLN HA H 4.737 0.030 1 209 26 26 GLN HB2 H 1.892 0.030 2 210 26 26 GLN HB3 H 1.735 0.030 2 211 26 26 GLN HE21 H 7.430 0.030 2 212 26 26 GLN HE22 H 6.653 0.030 2 213 26 26 GLN HG2 H 2.062 0.030 2 214 26 26 GLN HG3 H 1.955 0.030 2 215 26 26 GLN C C 174.372 0.300 1 216 26 26 GLN CA C 56.365 0.300 1 217 26 26 GLN CB C 33.320 0.300 1 218 26 26 GLN CG C 34.402 0.300 1 219 26 26 GLN N N 119.630 0.300 1 220 26 26 GLN NE2 N 112.164 0.300 1 221 27 27 TRP H H 8.080 0.030 1 222 27 27 TRP HA H 5.441 0.030 1 223 27 27 TRP HB2 H 2.854 0.030 2 224 27 27 TRP HB3 H 2.639 0.030 2 225 27 27 TRP HD1 H 5.948 0.030 1 226 27 27 TRP HE1 H 7.245 0.030 1 227 27 27 TRP HE3 H 6.483 0.030 1 228 27 27 TRP HH2 H 5.081 0.030 1 229 27 27 TRP HZ2 H 5.752 0.030 1 230 27 27 TRP HZ3 H 6.230 0.030 1 231 27 27 TRP CA C 55.957 0.300 1 232 27 27 TRP CB C 32.517 0.300 1 233 27 27 TRP CD1 C 124.493 0.300 1 234 27 27 TRP CE3 C 118.380 0.300 1 235 27 27 TRP CH2 C 123.361 0.300 1 236 27 27 TRP CZ2 C 112.680 0.300 1 237 27 27 TRP CZ3 C 119.941 0.300 1 238 27 27 TRP N N 121.276 0.300 1 239 27 27 TRP NE1 N 128.018 0.300 1 240 28 28 HIS H H 8.262 0.030 1 241 28 28 HIS HA H 4.997 0.030 1 242 28 28 HIS HB2 H 3.146 0.030 2 243 28 28 HIS HB3 H 2.750 0.030 2 244 28 28 HIS HD2 H 6.795 0.030 1 245 28 28 HIS CA C 53.028 0.300 1 246 28 28 HIS CB C 32.832 0.300 1 247 28 28 HIS CD2 C 120.080 0.300 1 248 28 28 HIS N N 116.245 0.300 1 249 29 29 PRO HA H 4.984 0.030 1 250 29 29 PRO HB2 H 2.624 0.030 2 251 29 29 PRO HB3 H 1.996 0.030 2 252 29 29 PRO HD2 H 3.795 0.030 1 253 29 29 PRO HD3 H 3.795 0.030 1 254 29 29 PRO HG2 H 2.192 0.030 2 255 29 29 PRO HG3 H 2.059 0.030 2 256 29 29 PRO CA C 61.498 0.300 1 257 29 29 PRO CB C 30.709 0.300 1 258 29 29 PRO CD C 50.770 0.300 1 259 29 29 PRO CG C 26.916 0.300 1 260 30 30 PRO HA H 4.449 0.030 1 261 30 30 PRO HB2 H 1.989 0.030 2 262 30 30 PRO HB3 H 1.858 0.030 2 263 30 30 PRO HD2 H 3.589 0.030 2 264 30 30 PRO HD3 H 3.512 0.030 2 265 30 30 PRO HG2 H 1.958 0.030 2 266 30 30 PRO HG3 H 1.836 0.030 2 267 30 30 PRO C C 175.733 0.300 1 268 30 30 PRO CA C 62.245 0.300 1 269 30 30 PRO CB C 32.083 0.300 1 270 30 30 PRO CD C 50.050 0.300 1 271 30 30 PRO CG C 28.128 0.300 1 272 31 31 LYS H H 8.403 0.030 1 273 31 31 LYS HA H 4.084 0.030 1 274 31 31 LYS HB2 H 1.825 0.030 1 275 31 31 LYS HB3 H 1.825 0.030 1 276 31 31 LYS HD2 H 1.701 0.030 1 277 31 31 LYS HD3 H 1.701 0.030 1 278 31 31 LYS HE2 H 3.003 0.030 1 279 31 31 LYS HE3 H 3.003 0.030 1 280 31 31 LYS HG2 H 1.534 0.030 2 281 31 31 LYS HG3 H 1.473 0.030 2 282 31 31 LYS C C 177.166 0.300 1 283 31 31 LYS CA C 57.866 0.300 1 284 31 31 LYS CB C 32.698 0.300 1 285 31 31 LYS CD C 28.987 0.300 1 286 31 31 LYS CE C 42.112 0.300 1 287 31 31 LYS CG C 25.071 0.300 1 288 31 31 LYS N N 121.693 0.300 1 289 32 32 GLU H H 8.102 0.030 1 290 32 32 GLU HA H 4.365 0.030 1 291 32 32 GLU HB2 H 1.965 0.030 2 292 32 32 GLU HB3 H 1.913 0.030 2 293 32 32 GLU HG2 H 2.187 0.030 2 294 32 32 GLU HG3 H 2.141 0.030 2 295 32 32 GLU C C 174.248 0.300 1 296 32 32 GLU CA C 55.448 0.300 1 297 32 32 GLU CB C 29.405 0.300 1 298 32 32 GLU CG C 36.039 0.300 1 299 32 32 GLU N N 118.742 0.300 1 300 33 33 LEU H H 8.420 0.030 1 301 33 33 LEU HA H 4.499 0.030 1 302 33 33 LEU HB2 H 1.770 0.030 2 303 33 33 LEU HB3 H 1.365 0.030 2 304 33 33 LEU HD1 H 0.840 0.030 1 305 33 33 LEU HD2 H 0.858 0.030 1 306 33 33 LEU HG H 1.586 0.030 1 307 33 33 LEU C C 173.036 0.300 1 308 33 33 LEU CA C 52.863 0.300 1 309 33 33 LEU CB C 42.535 0.300 1 310 33 33 LEU CD1 C 25.218 0.300 2 311 33 33 LEU CD2 C 24.821 0.300 2 312 33 33 LEU CG C 27.634 0.300 1 313 33 33 LEU N N 125.181 0.300 1 314 34 34 PRO HA H 4.488 0.030 1 315 34 34 PRO HB2 H 2.253 0.030 2 316 34 34 PRO HB3 H 1.814 0.030 2 317 34 34 PRO HD2 H 3.656 0.030 2 318 34 34 PRO HD3 H 3.338 0.030 2 319 34 34 PRO HG2 H 1.902 0.030 2 320 34 34 PRO HG3 H 1.866 0.030 2 321 34 34 PRO C C 177.544 0.300 1 322 34 34 PRO CA C 62.889 0.300 1 323 34 34 PRO CB C 31.472 0.300 1 324 34 34 PRO CD C 50.730 0.300 1 325 34 34 PRO CG C 27.395 0.300 1 326 35 35 GLY H H 8.397 0.030 1 327 35 35 GLY HA2 H 4.059 0.030 2 328 35 35 GLY HA3 H 3.716 0.030 2 329 35 35 GLY C C 173.356 0.300 1 330 35 35 GLY CA C 45.892 0.300 1 331 35 35 GLY N N 110.524 0.300 1 332 36 36 GLU H H 8.091 0.030 1 333 36 36 GLU HA H 4.371 0.030 1 334 36 36 GLU HB2 H 1.973 0.030 2 335 36 36 GLU HB3 H 1.863 0.030 2 336 36 36 GLU HG2 H 2.181 0.030 2 337 36 36 GLU HG3 H 2.124 0.030 2 338 36 36 GLU C C 174.864 0.300 1 339 36 36 GLU CA C 55.201 0.300 1 340 36 36 GLU CB C 31.878 0.300 1 341 36 36 GLU CG C 36.039 0.300 1 342 36 36 GLU N N 122.202 0.300 1 343 37 37 LEU H H 8.307 0.030 1 344 37 37 LEU HA H 4.288 0.030 1 345 37 37 LEU HB2 H 1.814 0.030 2 346 37 37 LEU HB3 H 1.555 0.030 2 347 37 37 LEU HD1 H 0.846 0.030 1 348 37 37 LEU HD2 H 1.006 0.030 1 349 37 37 LEU HG H 1.366 0.030 1 350 37 37 LEU C C 176.702 0.300 1 351 37 37 LEU CA C 55.342 0.300 1 352 37 37 LEU CB C 42.715 0.300 1 353 37 37 LEU CD1 C 24.168 0.300 2 354 37 37 LEU CD2 C 26.590 0.300 2 355 37 37 LEU CG C 27.648 0.300 1 356 37 37 LEU N N 123.204 0.300 1 357 38 38 LEU H H 8.909 0.030 1 358 38 38 LEU HA H 4.640 0.030 1 359 38 38 LEU HB2 H 1.550 0.030 2 360 38 38 LEU HB3 H 1.074 0.030 2 361 38 38 LEU HD1 H 0.670 0.030 1 362 38 38 LEU HD2 H 0.750 0.030 1 363 38 38 LEU HG H 1.572 0.030 1 364 38 38 LEU C C 177.202 0.300 1 365 38 38 LEU CA C 54.390 0.300 1 366 38 38 LEU CB C 43.770 0.300 1 367 38 38 LEU CD1 C 25.356 0.300 2 368 38 38 LEU CD2 C 22.433 0.300 2 369 38 38 LEU CG C 27.303 0.300 1 370 38 38 LEU N N 123.021 0.300 1 371 39 39 GLY H H 7.113 0.030 1 372 39 39 GLY HA2 H 4.816 0.030 2 373 39 39 GLY HA3 H 3.276 0.030 2 374 39 39 GLY C C 169.863 0.300 1 375 39 39 GLY CA C 44.622 0.300 1 376 39 39 GLY N N 104.137 0.300 1 377 40 40 TYR H H 8.318 0.030 1 378 40 40 TYR HA H 5.414 0.030 1 379 40 40 TYR HB2 H 2.694 0.030 2 380 40 40 TYR HB3 H 2.468 0.030 2 381 40 40 TYR HD1 H 6.979 0.030 3 382 40 40 TYR HD2 H 6.906 0.030 3 383 40 40 TYR C C 174.448 0.300 1 384 40 40 TYR CA C 56.178 0.300 1 385 40 40 TYR CB C 44.191 0.300 1 386 40 40 TYR CD1 C 131.228 0.300 1 387 40 40 TYR CD2 C 131.228 0.300 1 388 40 40 TYR N N 114.036 0.300 1 389 41 41 ARG H H 9.347 0.030 1 390 41 41 ARG HA H 5.092 0.030 1 391 41 41 ARG HB2 H 1.783 0.030 2 392 41 41 ARG HB3 H 1.677 0.030 2 393 41 41 ARG HD2 H 2.986 0.030 1 394 41 41 ARG HD3 H 2.986 0.030 1 395 41 41 ARG HE H 8.398 0.030 1 396 41 41 ARG HG2 H 1.631 0.030 2 397 41 41 ARG HG3 H 1.281 0.030 2 398 41 41 ARG C C 174.097 0.300 1 399 41 41 ARG CA C 56.100 0.300 1 400 41 41 ARG CB C 34.508 0.300 1 401 41 41 ARG CD C 43.539 0.300 1 402 41 41 ARG CG C 26.808 0.300 1 403 41 41 ARG N N 122.231 0.300 1 404 41 41 ARG NE N 84.105 0.300 1 405 42 42 LEU H H 9.546 0.030 1 406 42 42 LEU HA H 5.459 0.030 1 407 42 42 LEU HB2 H 2.099 0.030 2 408 42 42 LEU HB3 H 1.159 0.030 2 409 42 42 LEU HD1 H 0.975 0.030 1 410 42 42 LEU HD2 H 1.022 0.030 1 411 42 42 LEU HG H 1.629 0.030 1 412 42 42 LEU C C 174.913 0.300 1 413 42 42 LEU CA C 52.997 0.300 1 414 42 42 LEU CB C 46.413 0.300 1 415 42 42 LEU CD1 C 27.386 0.300 2 416 42 42 LEU CD2 C 23.724 0.300 2 417 42 42 LEU CG C 28.377 0.300 1 418 42 42 LEU N N 132.335 0.300 1 419 43 43 GLN H H 9.502 0.030 1 420 43 43 GLN HA H 5.847 0.030 1 421 43 43 GLN HB2 H 1.907 0.030 2 422 43 43 GLN HB3 H 1.704 0.030 2 423 43 43 GLN HE21 H 7.467 0.030 2 424 43 43 GLN HE22 H 6.738 0.030 2 425 43 43 GLN HG2 H 2.341 0.030 1 426 43 43 GLN HG3 H 2.341 0.030 1 427 43 43 GLN C C 175.329 0.300 1 428 43 43 GLN CA C 54.005 0.300 1 429 43 43 GLN CB C 33.429 0.300 1 430 43 43 GLN CG C 34.556 0.300 1 431 43 43 GLN N N 123.932 0.300 1 432 43 43 GLN NE2 N 112.033 0.300 1 433 44 44 TYR H H 8.615 0.030 1 434 44 44 TYR HA H 5.783 0.030 1 435 44 44 TYR HB2 H 2.704 0.030 2 436 44 44 TYR HB3 H 2.054 0.030 2 437 44 44 TYR HD1 H 6.624 0.030 1 438 44 44 TYR HD2 H 6.624 0.030 1 439 44 44 TYR HE1 H 6.724 0.030 1 440 44 44 TYR HE2 H 6.724 0.030 1 441 44 44 TYR C C 174.058 0.300 1 442 44 44 TYR CA C 55.942 0.300 1 443 44 44 TYR CB C 43.052 0.300 1 444 44 44 TYR CD1 C 132.688 0.300 1 445 44 44 TYR CD2 C 132.688 0.300 1 446 44 44 TYR CE1 C 118.172 0.300 1 447 44 44 TYR CE2 C 118.172 0.300 1 448 44 44 TYR N N 117.355 0.300 1 449 45 45 CYS H H 8.377 0.030 1 450 45 45 CYS HA H 4.772 0.030 1 451 45 45 CYS HB2 H 3.075 0.030 2 452 45 45 CYS HB3 H 2.993 0.030 2 453 45 45 CYS C C 173.205 0.300 1 454 45 45 CYS CA C 55.960 0.300 1 455 45 45 CYS CB C 30.665 0.300 1 456 45 45 CYS N N 115.140 0.300 1 457 46 46 ARG H H 9.165 0.030 1 458 46 46 ARG HA H 4.068 0.030 1 459 46 46 ARG HB2 H 1.721 0.030 2 460 46 46 ARG HB3 H 1.539 0.030 2 461 46 46 ARG HD2 H 3.069 0.030 2 462 46 46 ARG HD3 H 2.919 0.030 2 463 46 46 ARG HG2 H 1.375 0.030 2 464 46 46 ARG HG3 H 0.972 0.030 2 465 46 46 ARG C C 178.440 0.300 1 466 46 46 ARG CA C 56.401 0.300 1 467 46 46 ARG CB C 31.878 0.300 1 468 46 46 ARG CD C 43.622 0.300 1 469 46 46 ARG CG C 28.206 0.300 1 470 46 46 ARG N N 121.803 0.300 1 471 47 47 ALA H H 8.273 0.030 1 472 47 47 ALA HA H 3.891 0.030 1 473 47 47 ALA HB H 1.262 0.030 1 474 47 47 ALA C C 177.599 0.300 1 475 47 47 ALA CA C 54.796 0.300 1 476 47 47 ALA CB C 18.287 0.300 1 477 47 47 ALA N N 123.895 0.300 1 478 48 48 ASP H H 8.036 0.030 1 479 48 48 ASP HA H 4.453 0.030 1 480 48 48 ASP HB2 H 2.884 0.030 2 481 48 48 ASP HB3 H 2.515 0.030 2 482 48 48 ASP C C 175.836 0.300 1 483 48 48 ASP CA C 53.368 0.300 1 484 48 48 ASP CB C 39.964 0.300 1 485 48 48 ASP N N 112.576 0.300 1 486 49 49 GLU H H 7.495 0.030 1 487 49 49 GLU HA H 4.308 0.030 1 488 49 49 GLU HB2 H 1.977 0.030 1 489 49 49 GLU HB3 H 1.977 0.030 1 490 49 49 GLU HG2 H 2.222 0.030 1 491 49 49 GLU HG3 H 2.222 0.030 1 492 49 49 GLU C C 175.756 0.300 1 493 49 49 GLU CA C 56.224 0.300 1 494 49 49 GLU CB C 32.248 0.300 1 495 49 49 GLU CG C 37.268 0.300 1 496 49 49 GLU N N 120.609 0.300 1 497 50 50 ALA H H 8.416 0.030 1 498 50 50 ALA HA H 4.200 0.030 1 499 50 50 ALA HB H 1.358 0.030 1 500 50 50 ALA C C 177.433 0.300 1 501 50 50 ALA CA C 53.297 0.300 1 502 50 50 ALA CB C 19.474 0.300 1 503 50 50 ALA N N 124.065 0.300 1 504 51 51 ARG H H 7.648 0.030 1 505 51 51 ARG HA H 4.747 0.030 1 506 51 51 ARG HB2 H 1.753 0.030 2 507 51 51 ARG HB3 H 1.655 0.030 2 508 51 51 ARG HD2 H 3.161 0.030 1 509 51 51 ARG HD3 H 3.161 0.030 1 510 51 51 ARG HG2 H 1.551 0.030 2 511 51 51 ARG HG3 H 1.516 0.030 2 512 51 51 ARG C C 173.400 0.300 1 513 51 51 ARG CA C 52.592 0.300 1 514 51 51 ARG CB C 31.212 0.300 1 515 51 51 ARG CD C 43.346 0.300 1 516 51 51 ARG CG C 26.610 0.300 1 517 51 51 ARG N N 117.798 0.300 1 518 52 52 PRO HA H 4.212 0.030 1 519 52 52 PRO HB2 H 1.822 0.030 2 520 52 52 PRO HB3 H 1.567 0.030 2 521 52 52 PRO HD2 H 3.716 0.030 2 522 52 52 PRO HD3 H 3.586 0.030 2 523 52 52 PRO HG2 H 1.802 0.030 2 524 52 52 PRO HG3 H 1.758 0.030 2 525 52 52 PRO C C 176.380 0.300 1 526 52 52 PRO CA C 62.360 0.300 1 527 52 52 PRO CB C 32.331 0.300 1 528 52 52 PRO CD C 50.462 0.300 1 529 52 52 PRO CG C 26.400 0.300 1 530 53 53 ASN H H 8.127 0.030 1 531 53 53 ASN HA H 4.651 0.030 1 532 53 53 ASN HB2 H 2.108 0.030 2 533 53 53 ASN HB3 H 1.709 0.030 2 534 53 53 ASN HD21 H 7.319 0.030 2 535 53 53 ASN HD22 H 6.267 0.030 2 536 53 53 ASN C C 174.354 0.300 1 537 53 53 ASN CA C 53.136 0.300 1 538 53 53 ASN CB C 39.666 0.300 1 539 53 53 ASN N N 119.405 0.300 1 540 53 53 ASN ND2 N 114.412 0.300 1 541 54 54 THR H H 8.425 0.030 1 542 54 54 THR HA H 5.306 0.030 1 543 54 54 THR HB H 3.789 0.030 1 544 54 54 THR HG2 H 1.029 0.030 1 545 54 54 THR C C 173.850 0.300 1 546 54 54 THR CA C 61.881 0.300 1 547 54 54 THR CB C 70.573 0.300 1 548 54 54 THR CG2 C 21.708 0.300 1 549 54 54 THR N N 118.968 0.300 1 550 55 55 ILE H H 9.354 0.030 1 551 55 55 ILE HA H 4.051 0.030 1 552 55 55 ILE HB H 1.299 0.030 1 553 55 55 ILE HD1 H 0.867 0.030 1 554 55 55 ILE HG12 H 1.347 0.030 2 555 55 55 ILE HG13 H 0.970 0.030 2 556 55 55 ILE HG2 H 0.024 0.030 1 557 55 55 ILE C C 172.975 0.300 1 558 55 55 ILE CA C 61.003 0.300 1 559 55 55 ILE CB C 41.619 0.300 1 560 55 55 ILE CD1 C 14.929 0.300 1 561 55 55 ILE CG1 C 27.541 0.300 1 562 55 55 ILE CG2 C 18.467 0.300 1 563 55 55 ILE N N 127.961 0.300 1 564 56 56 ASP H H 8.132 0.030 1 565 56 56 ASP HA H 5.334 0.030 1 566 56 56 ASP HB2 H 2.539 0.030 2 567 56 56 ASP HB3 H 2.341 0.030 2 568 56 56 ASP C C 174.969 0.300 1 569 56 56 ASP CA C 53.702 0.300 1 570 56 56 ASP CB C 43.251 0.300 1 571 56 56 ASP N N 125.882 0.300 1 572 57 57 PHE H H 8.955 0.030 1 573 57 57 PHE HA H 4.915 0.030 1 574 57 57 PHE HB2 H 4.024 0.030 2 575 57 57 PHE HB3 H 2.759 0.030 2 576 57 57 PHE HD1 H 6.906 0.030 1 577 57 57 PHE HD2 H 6.906 0.030 1 578 57 57 PHE HE1 H 5.801 0.030 1 579 57 57 PHE HE2 H 5.801 0.030 1 580 57 57 PHE HZ H 6.979 0.030 1 581 57 57 PHE C C 177.361 0.300 1 582 57 57 PHE CA C 57.458 0.300 1 583 57 57 PHE CB C 43.737 0.300 1 584 57 57 PHE CD1 C 131.158 0.300 1 585 57 57 PHE CD2 C 131.158 0.300 1 586 57 57 PHE CE1 C 128.879 0.300 1 587 57 57 PHE CE2 C 128.879 0.300 1 588 57 57 PHE CZ C 131.140 0.300 1 589 57 57 PHE N N 118.872 0.300 1 590 58 58 GLY H H 9.552 0.030 1 591 58 58 GLY HA2 H 4.662 0.030 2 592 58 58 GLY HA3 H 4.126 0.030 2 593 58 58 GLY C C 174.760 0.300 1 594 58 58 GLY CA C 44.680 0.300 1 595 58 58 GLY N N 111.551 0.300 1 596 59 59 LYS H H 8.211 0.030 1 597 59 59 LYS HA H 3.782 0.030 1 598 59 59 LYS HB2 H 1.785 0.030 2 599 59 59 LYS HB3 H 1.449 0.030 2 600 59 59 LYS HD2 H 1.740 0.030 1 601 59 59 LYS HD3 H 1.740 0.030 1 602 59 59 LYS HE2 H 3.045 0.030 1 603 59 59 LYS HE3 H 3.045 0.030 1 604 59 59 LYS HG2 H 1.427 0.030 2 605 59 59 LYS HG3 H 1.305 0.030 2 606 59 59 LYS C C 176.154 0.300 1 607 59 59 LYS CA C 59.080 0.300 1 608 59 59 LYS CB C 32.516 0.300 1 609 59 59 LYS CD C 29.548 0.300 1 610 59 59 LYS CE C 42.205 0.300 1 611 59 59 LYS CG C 23.409 0.300 1 612 59 59 LYS N N 115.953 0.300 1 613 60 60 ASP H H 8.634 0.030 1 614 60 60 ASP HA H 4.882 0.030 1 615 60 60 ASP HB2 H 2.891 0.030 2 616 60 60 ASP HB3 H 2.576 0.030 2 617 60 60 ASP C C 176.039 0.300 1 618 60 60 ASP CA C 54.327 0.300 1 619 60 60 ASP CB C 41.461 0.300 1 620 60 60 ASP N N 117.261 0.300 1 621 61 61 ASP H H 7.500 0.030 1 622 61 61 ASP HA H 4.591 0.030 1 623 61 61 ASP HB2 H 3.257 0.030 2 624 61 61 ASP HB3 H 2.599 0.030 2 625 61 61 ASP C C 175.140 0.300 1 626 61 61 ASP CA C 55.342 0.300 1 627 61 61 ASP CB C 42.475 0.300 1 628 61 61 ASP N N 122.319 0.300 1 629 62 62 GLN H H 8.239 0.030 1 630 62 62 GLN HA H 2.569 0.030 1 631 62 62 GLN HB2 H 2.035 0.030 2 632 62 62 GLN HB3 H 1.348 0.030 2 633 62 62 GLN HE21 H 7.418 0.030 2 634 62 62 GLN HE22 H 6.871 0.030 2 635 62 62 GLN HG2 H 1.907 0.030 1 636 62 62 GLN HG3 H 1.907 0.030 1 637 62 62 GLN C C 172.652 0.300 1 638 62 62 GLN CA C 54.038 0.300 1 639 62 62 GLN CB C 31.481 0.300 1 640 62 62 GLN CG C 35.133 0.300 1 641 62 62 GLN N N 117.458 0.300 1 642 62 62 GLN NE2 N 110.545 0.300 1 643 63 63 HIS H H 6.338 0.030 1 644 63 63 HIS HA H 4.423 0.030 1 645 63 63 HIS HB2 H 2.869 0.030 2 646 63 63 HIS HB3 H 2.836 0.030 2 647 63 63 HIS HD2 H 6.745 0.030 1 648 63 63 HIS C C 173.031 0.300 1 649 63 63 HIS CA C 54.743 0.300 1 650 63 63 HIS CB C 32.661 0.300 1 651 63 63 HIS CD2 C 120.079 0.300 1 652 63 63 HIS N N 113.589 0.300 1 653 64 64 PHE H H 8.549 0.030 1 654 64 64 PHE HA H 4.578 0.030 1 655 64 64 PHE HB2 H 3.562 0.030 2 656 64 64 PHE HB3 H 2.469 0.030 2 657 64 64 PHE HD1 H 7.288 0.030 1 658 64 64 PHE HD2 H 7.288 0.030 1 659 64 64 PHE HE1 H 7.443 0.030 1 660 64 64 PHE HE2 H 7.443 0.030 1 661 64 64 PHE HZ H 7.495 0.030 1 662 64 64 PHE C C 173.015 0.300 1 663 64 64 PHE CA C 58.516 0.300 1 664 64 64 PHE CB C 43.525 0.300 1 665 64 64 PHE CD1 C 131.386 0.300 1 666 64 64 PHE CD2 C 131.386 0.300 1 667 64 64 PHE CE1 C 132.059 0.300 1 668 64 64 PHE CE2 C 132.059 0.300 1 669 64 64 PHE CZ C 130.744 0.300 1 670 64 64 PHE N N 118.214 0.300 1 671 65 65 THR H H 7.150 0.030 1 672 65 65 THR HA H 4.930 0.030 1 673 65 65 THR HB H 3.639 0.030 1 674 65 65 THR HG2 H 0.835 0.030 1 675 65 65 THR C C 172.457 0.300 1 676 65 65 THR CA C 61.690 0.300 1 677 65 65 THR CB C 69.593 0.300 1 678 65 65 THR CG2 C 21.203 0.300 1 679 65 65 THR N N 123.198 0.300 1 680 66 66 VAL H H 8.888 0.030 1 681 66 66 VAL HA H 4.018 0.030 1 682 66 66 VAL HB H 1.760 0.030 1 683 66 66 VAL HG1 H 0.667 0.030 1 684 66 66 VAL HG2 H 0.868 0.030 1 685 66 66 VAL C C 174.868 0.300 1 686 66 66 VAL CA C 61.178 0.300 1 687 66 66 VAL CB C 33.114 0.300 1 688 66 66 VAL CG1 C 21.685 0.300 2 689 66 66 VAL CG2 C 22.079 0.300 2 690 66 66 VAL N N 126.840 0.300 1 691 67 67 THR H H 8.174 0.030 1 692 67 67 THR HA H 4.816 0.030 1 693 67 67 THR HB H 4.266 0.030 1 694 67 67 THR HG2 H 1.021 0.030 1 695 67 67 THR C C 174.494 0.300 1 696 67 67 THR CA C 59.786 0.300 1 697 67 67 THR CB C 70.887 0.300 1 698 67 67 THR CG2 C 21.128 0.300 1 699 67 67 THR N N 116.127 0.300 1 700 68 68 GLY H H 8.570 0.030 1 701 68 68 GLY HA2 H 3.970 0.030 2 702 68 68 GLY HA3 H 3.819 0.030 2 703 68 68 GLY C C 175.636 0.300 1 704 68 68 GLY CA C 46.397 0.300 1 705 68 68 GLY N N 107.146 0.300 1 706 69 69 LEU H H 8.007 0.030 1 707 69 69 LEU HA H 4.154 0.030 1 708 69 69 LEU HB2 H 1.229 0.030 2 709 69 69 LEU HB3 H 1.122 0.030 2 710 69 69 LEU HD1 H 0.263 0.030 1 711 69 69 LEU HD2 H -0.033 0.030 1 712 69 69 LEU HG H 1.111 0.030 1 713 69 69 LEU C C 176.830 0.300 1 714 69 69 LEU CA C 54.602 0.300 1 715 69 69 LEU CB C 41.149 0.300 1 716 69 69 LEU CD1 C 25.737 0.300 2 717 69 69 LEU CD2 C 20.498 0.300 2 718 69 69 LEU CG C 26.273 0.300 1 719 69 69 LEU N N 118.433 0.300 1 720 70 70 HIS H H 8.866 0.030 1 721 70 70 HIS HA H 4.663 0.030 1 722 70 70 HIS HB2 H 3.186 0.030 2 723 70 70 HIS HB3 H 3.105 0.030 2 724 70 70 HIS HD2 H 7.100 0.030 1 725 70 70 HIS C C 176.667 0.300 1 726 70 70 HIS CA C 55.464 0.300 1 727 70 70 HIS CB C 32.125 0.300 1 728 70 70 HIS CD2 C 118.772 0.300 1 729 70 70 HIS N N 122.457 0.300 1 730 71 71 LYS H H 8.716 0.030 1 731 71 71 LYS HA H 4.320 0.030 1 732 71 71 LYS HB2 H 1.923 0.030 1 733 71 71 LYS HB3 H 1.923 0.030 1 734 71 71 LYS HD2 H 1.682 0.030 1 735 71 71 LYS HD3 H 1.682 0.030 1 736 71 71 LYS HE2 H 3.056 0.030 1 737 71 71 LYS HE3 H 3.056 0.030 1 738 71 71 LYS HG2 H 1.486 0.030 1 739 71 71 LYS HG3 H 1.486 0.030 1 740 71 71 LYS C C 178.110 0.300 1 741 71 71 LYS CA C 57.035 0.300 1 742 71 71 LYS CB C 33.580 0.300 1 743 71 71 LYS CD C 29.691 0.300 1 744 71 71 LYS CE C 42.468 0.300 1 745 71 71 LYS CG C 25.161 0.300 1 746 71 71 LYS N N 123.173 0.300 1 747 72 72 GLY H H 7.709 0.030 1 748 72 72 GLY HA2 H 3.800 0.030 2 749 72 72 GLY HA3 H 3.769 0.030 2 750 72 72 GLY C C 174.231 0.300 1 751 72 72 GLY CA C 47.866 0.300 1 752 72 72 GLY N N 114.881 0.300 1 753 73 73 THR H H 8.162 0.030 1 754 73 73 THR HA H 4.584 0.030 1 755 73 73 THR HB H 3.859 0.030 1 756 73 73 THR HG2 H 0.847 0.030 1 757 73 73 THR C C 172.208 0.300 1 758 73 73 THR CA C 62.307 0.300 1 759 73 73 THR CB C 72.123 0.300 1 760 73 73 THR CG2 C 20.957 0.300 1 761 73 73 THR N N 114.225 0.300 1 762 74 74 THR H H 8.743 0.030 1 763 74 74 THR HA H 5.138 0.030 1 764 74 74 THR HB H 3.930 0.030 1 765 74 74 THR HG2 H 1.144 0.030 1 766 74 74 THR C C 173.376 0.300 1 767 74 74 THR CA C 62.724 0.300 1 768 74 74 THR CB C 69.202 0.300 1 769 74 74 THR CG2 C 22.324 0.300 1 770 74 74 THR N N 123.376 0.300 1 771 75 75 TYR H H 9.549 0.030 1 772 75 75 TYR HA H 4.892 0.030 1 773 75 75 TYR HB2 H 2.738 0.030 2 774 75 75 TYR HB3 H 2.496 0.030 2 775 75 75 TYR HD1 H 6.848 0.030 1 776 75 75 TYR HD2 H 6.848 0.030 1 777 75 75 TYR HE1 H 6.947 0.030 1 778 75 75 TYR HE2 H 6.947 0.030 1 779 75 75 TYR C C 173.991 0.300 1 780 75 75 TYR CA C 57.740 0.300 1 781 75 75 TYR CB C 44.580 0.300 1 782 75 75 TYR CD1 C 132.438 0.300 1 783 75 75 TYR CD2 C 132.438 0.300 1 784 75 75 TYR CE1 C 118.649 0.300 1 785 75 75 TYR CE2 C 118.649 0.300 1 786 75 75 TYR N N 126.916 0.300 1 787 76 76 ILE H H 8.769 0.030 1 788 76 76 ILE HA H 4.663 0.030 1 789 76 76 ILE HB H 1.682 0.030 1 790 76 76 ILE HD1 H 0.787 0.030 1 791 76 76 ILE HG12 H 1.362 0.030 2 792 76 76 ILE HG13 H 1.090 0.030 2 793 76 76 ILE HG2 H 0.770 0.030 1 794 76 76 ILE C C 174.683 0.300 1 795 76 76 ILE CA C 60.455 0.300 1 796 76 76 ILE CB C 40.284 0.300 1 797 76 76 ILE CD1 C 13.778 0.300 1 798 76 76 ILE CG1 C 28.375 0.300 1 799 76 76 ILE CG2 C 18.238 0.300 1 800 76 76 ILE N N 119.407 0.300 1 801 77 77 PHE H H 8.894 0.030 1 802 77 77 PHE HA H 5.160 0.030 1 803 77 77 PHE HB2 H 3.079 0.030 2 804 77 77 PHE HB3 H 2.697 0.030 2 805 77 77 PHE HD1 H 7.143 0.030 1 806 77 77 PHE HD2 H 7.143 0.030 1 807 77 77 PHE HE1 H 6.769 0.030 1 808 77 77 PHE HE2 H 6.769 0.030 1 809 77 77 PHE HZ H 6.446 0.030 1 810 77 77 PHE C C 174.794 0.300 1 811 77 77 PHE CA C 56.831 0.300 1 812 77 77 PHE CB C 43.132 0.300 1 813 77 77 PHE CD1 C 132.264 0.300 1 814 77 77 PHE CD2 C 132.264 0.300 1 815 77 77 PHE CE1 C 130.612 0.300 1 816 77 77 PHE CE2 C 130.612 0.300 1 817 77 77 PHE CZ C 127.504 0.300 1 818 77 77 PHE N N 124.622 0.300 1 819 78 78 ARG H H 9.407 0.030 1 820 78 78 ARG HA H 5.689 0.030 1 821 78 78 ARG HB2 H 1.716 0.030 1 822 78 78 ARG HB3 H 1.716 0.030 1 823 78 78 ARG HD2 H 3.079 0.030 1 824 78 78 ARG HD3 H 3.079 0.030 1 825 78 78 ARG HE H 7.526 0.030 1 826 78 78 ARG HG2 H 1.493 0.030 1 827 78 78 ARG HG3 H 1.493 0.030 1 828 78 78 ARG C C 174.376 0.300 1 829 78 78 ARG CA C 54.530 0.300 1 830 78 78 ARG CB C 34.473 0.300 1 831 78 78 ARG CD C 43.509 0.300 1 832 78 78 ARG CG C 28.658 0.300 1 833 78 78 ARG N N 120.055 0.300 1 834 78 78 ARG NE N 85.827 0.300 1 835 79 79 LEU H H 9.132 0.030 1 836 79 79 LEU HA H 5.398 0.030 1 837 79 79 LEU HB2 H 1.604 0.030 2 838 79 79 LEU HB3 H 1.208 0.030 2 839 79 79 LEU HD1 H -0.073 0.030 1 840 79 79 LEU HD2 H -0.109 0.030 1 841 79 79 LEU HG H 0.967 0.030 1 842 79 79 LEU C C 174.006 0.300 1 843 79 79 LEU CA C 53.401 0.300 1 844 79 79 LEU CB C 48.116 0.300 1 845 79 79 LEU CD1 C 22.366 0.300 2 846 79 79 LEU CD2 C 26.566 0.300 2 847 79 79 LEU CG C 27.328 0.300 1 848 79 79 LEU N N 124.907 0.300 1 849 80 80 ALA H H 8.737 0.030 1 850 80 80 ALA HA H 4.871 0.030 1 851 80 80 ALA HB H 1.341 0.030 1 852 80 80 ALA C C 176.057 0.300 1 853 80 80 ALA CA C 50.353 0.300 1 854 80 80 ALA CB C 23.972 0.300 1 855 80 80 ALA N N 128.220 0.300 1 856 81 81 ALA H H 9.890 0.030 1 857 81 81 ALA HA H 4.794 0.030 1 858 81 81 ALA HB H 1.198 0.030 1 859 81 81 ALA C C 174.655 0.300 1 860 81 81 ALA CA C 50.300 0.300 1 861 81 81 ALA CB C 21.369 0.300 1 862 81 81 ALA N N 123.682 0.300 1 863 82 82 LYS H H 7.965 0.030 1 864 82 82 LYS HA H 4.974 0.030 1 865 82 82 LYS HB2 H 1.477 0.030 2 866 82 82 LYS HB3 H 1.165 0.030 2 867 82 82 LYS HD2 H 1.411 0.030 2 868 82 82 LYS HD3 H 1.350 0.030 2 869 82 82 LYS HE2 H 2.665 0.030 2 870 82 82 LYS HE3 H 2.560 0.030 2 871 82 82 LYS HG2 H 1.164 0.030 2 872 82 82 LYS HG3 H 0.955 0.030 2 873 82 82 LYS C C 175.671 0.300 1 874 82 82 LYS CA C 54.664 0.300 1 875 82 82 LYS CB C 36.677 0.300 1 876 82 82 LYS CD C 29.941 0.300 1 877 82 82 LYS CE C 41.875 0.300 1 878 82 82 LYS CG C 25.243 0.300 1 879 82 82 LYS N N 118.164 0.300 1 880 83 83 ASN H H 8.663 0.030 1 881 83 83 ASN HA H 5.113 0.030 1 882 83 83 ASN HB2 H 3.666 0.030 2 883 83 83 ASN HB3 H 2.618 0.030 2 884 83 83 ASN HD21 H 7.822 0.030 2 885 83 83 ASN HD22 H 7.272 0.030 2 886 83 83 ASN C C 176.582 0.300 1 887 83 83 ASN CA C 51.746 0.300 1 888 83 83 ASN CB C 40.357 0.300 1 889 83 83 ASN N N 124.784 0.300 1 890 83 83 ASN ND2 N 108.924 0.300 1 891 84 84 ARG H H 8.873 0.030 1 892 84 84 ARG HA H 3.940 0.030 1 893 84 84 ARG HB2 H 1.860 0.030 1 894 84 84 ARG HB3 H 1.860 0.030 1 895 84 84 ARG HD2 H 3.197 0.030 1 896 84 84 ARG HD3 H 3.197 0.030 1 897 84 84 ARG HG2 H 1.754 0.030 2 898 84 84 ARG HG3 H 1.653 0.030 2 899 84 84 ARG C C 176.735 0.300 1 900 84 84 ARG CA C 59.327 0.300 1 901 84 84 ARG CB C 29.282 0.300 1 902 84 84 ARG CD C 43.146 0.300 1 903 84 84 ARG CG C 27.891 0.300 1 904 84 84 ARG N N 117.891 0.300 1 905 85 85 ALA H H 7.645 0.030 1 906 85 85 ALA HA H 4.276 0.030 1 907 85 85 ALA HB H 1.291 0.030 1 908 85 85 ALA C C 177.479 0.300 1 909 85 85 ALA CA C 52.818 0.300 1 910 85 85 ALA CB C 18.806 0.300 1 911 85 85 ALA N N 120.306 0.300 1 912 86 86 GLY H H 7.693 0.030 1 913 86 86 GLY HA2 H 4.456 0.030 2 914 86 86 GLY HA3 H 3.649 0.030 2 915 86 86 GLY C C 172.068 0.300 1 916 86 86 GLY CA C 44.375 0.300 1 917 86 86 GLY N N 106.594 0.300 1 918 87 87 LEU H H 8.203 0.030 1 919 87 87 LEU HA H 4.629 0.030 1 920 87 87 LEU HB2 H 1.615 0.030 2 921 87 87 LEU HB3 H 1.495 0.030 2 922 87 87 LEU HD1 H 0.808 0.030 1 923 87 87 LEU HD2 H 0.705 0.030 1 924 87 87 LEU HG H 1.627 0.030 1 925 87 87 LEU C C 179.155 0.300 1 926 87 87 LEU CA C 54.814 0.300 1 927 87 87 LEU CB C 43.454 0.300 1 928 87 87 LEU CD1 C 25.486 0.300 2 929 87 87 LEU CD2 C 24.716 0.300 2 930 87 87 LEU CG C 27.551 0.300 1 931 87 87 LEU N N 120.879 0.300 1 932 88 88 GLY H H 8.492 0.030 1 933 88 88 GLY HA2 H 4.339 0.030 2 934 88 88 GLY HA3 H 4.122 0.030 2 935 88 88 GLY C C 173.030 0.300 1 936 88 88 GLY CA C 43.970 0.300 1 937 88 88 GLY N N 109.903 0.300 1 938 89 89 GLU H H 7.638 0.030 1 939 89 89 GLU HA H 4.103 0.030 1 940 89 89 GLU HB2 H 1.946 0.030 2 941 89 89 GLU HB3 H 1.842 0.030 2 942 89 89 GLU HG2 H 2.453 0.030 2 943 89 89 GLU HG3 H 2.325 0.030 2 944 89 89 GLU C C 177.511 0.300 1 945 89 89 GLU CA C 56.659 0.300 1 946 89 89 GLU CB C 31.324 0.300 1 947 89 89 GLU CG C 36.711 0.300 1 948 89 89 GLU N N 117.551 0.300 1 949 90 90 GLU H H 8.734 0.030 1 950 90 90 GLU HA H 4.651 0.030 1 951 90 90 GLU HB2 H 1.915 0.030 2 952 90 90 GLU HB3 H 1.770 0.030 2 953 90 90 GLU HG2 H 2.280 0.030 2 954 90 90 GLU HG3 H 2.092 0.030 2 955 90 90 GLU C C 177.452 0.300 1 956 90 90 GLU CA C 55.987 0.300 1 957 90 90 GLU CB C 31.135 0.300 1 958 90 90 GLU CG C 37.470 0.300 1 959 90 90 GLU N N 121.553 0.300 1 960 91 91 PHE H H 9.411 0.030 1 961 91 91 PHE HA H 4.665 0.030 1 962 91 91 PHE HB2 H 3.221 0.030 2 963 91 91 PHE HB3 H 3.049 0.030 2 964 91 91 PHE HD1 H 7.266 0.030 1 965 91 91 PHE HD2 H 7.266 0.030 1 966 91 91 PHE HE1 H 7.459 0.030 1 967 91 91 PHE HE2 H 7.459 0.030 1 968 91 91 PHE HZ H 7.540 0.030 1 969 91 91 PHE C C 173.944 0.300 1 970 91 91 PHE CA C 57.687 0.300 1 971 91 91 PHE CB C 40.890 0.300 1 972 91 91 PHE CD1 C 132.291 0.300 1 973 91 91 PHE CD2 C 132.291 0.300 1 974 91 91 PHE CE1 C 131.523 0.300 1 975 91 91 PHE CE2 C 131.523 0.300 1 976 91 91 PHE CZ C 130.607 0.300 1 977 91 91 PHE N N 125.459 0.300 1 978 92 92 GLU H H 8.043 0.030 1 979 92 92 GLU HA H 5.424 0.030 1 980 92 92 GLU HB2 H 1.816 0.030 1 981 92 92 GLU HB3 H 1.816 0.030 1 982 92 92 GLU HG2 H 2.006 0.030 2 983 92 92 GLU HG3 H 1.882 0.030 2 984 92 92 GLU C C 174.295 0.300 1 985 92 92 GLU CA C 54.378 0.300 1 986 92 92 GLU CB C 33.662 0.300 1 987 92 92 GLU CG C 37.354 0.300 1 988 92 92 GLU N N 128.905 0.300 1 989 93 93 LYS H H 9.142 0.030 1 990 93 93 LYS HA H 4.541 0.030 1 991 93 93 LYS HB2 H 1.759 0.030 1 992 93 93 LYS HB3 H 1.759 0.030 1 993 93 93 LYS HD2 H 1.978 0.030 2 994 93 93 LYS HD3 H 1.828 0.030 2 995 93 93 LYS HE2 H 3.225 0.030 2 996 93 93 LYS HE3 H 3.143 0.030 2 997 93 93 LYS HG2 H 1.477 0.030 1 998 93 93 LYS HG3 H 1.477 0.030 1 999 93 93 LYS C C 173.366 0.300 1 1000 93 93 LYS CA C 55.343 0.300 1 1001 93 93 LYS CB C 37.317 0.300 1 1002 93 93 LYS CD C 28.955 0.300 1 1003 93 93 LYS CE C 42.379 0.300 1 1004 93 93 LYS CG C 25.164 0.300 1 1005 93 93 LYS N N 125.231 0.300 1 1006 94 94 GLU H H 8.655 0.030 1 1007 94 94 GLU HA H 5.558 0.030 1 1008 94 94 GLU HB2 H 1.956 0.030 1 1009 94 94 GLU HB3 H 1.956 0.030 1 1010 94 94 GLU HG2 H 2.186 0.030 2 1011 94 94 GLU HG3 H 2.049 0.030 2 1012 94 94 GLU C C 176.238 0.300 1 1013 94 94 GLU CA C 54.632 0.300 1 1014 94 94 GLU CB C 32.166 0.300 1 1015 94 94 GLU CG C 37.100 0.300 1 1016 94 94 GLU N N 127.232 0.300 1 1017 95 95 ILE H H 9.302 0.030 1 1018 95 95 ILE HA H 4.794 0.030 1 1019 95 95 ILE HB H 1.967 0.030 1 1020 95 95 ILE HD1 H 0.791 0.030 1 1021 95 95 ILE HG12 H 1.561 0.030 2 1022 95 95 ILE HG13 H 1.206 0.030 2 1023 95 95 ILE HG2 H 0.880 0.030 1 1024 95 95 ILE C C 173.138 0.300 1 1025 95 95 ILE CA C 58.570 0.300 1 1026 95 95 ILE CB C 42.420 0.300 1 1027 95 95 ILE CD1 C 13.839 0.300 1 1028 95 95 ILE CG1 C 27.356 0.300 1 1029 95 95 ILE CG2 C 18.754 0.300 1 1030 95 95 ILE N N 120.711 0.300 1 1031 96 96 ARG H H 8.589 0.030 1 1032 96 96 ARG HA H 5.373 0.030 1 1033 96 96 ARG HB2 H 1.797 0.030 2 1034 96 96 ARG HB3 H 1.625 0.030 2 1035 96 96 ARG HD2 H 3.067 0.030 1 1036 96 96 ARG HD3 H 3.067 0.030 1 1037 96 96 ARG HG2 H 1.669 0.030 2 1038 96 96 ARG HG3 H 1.440 0.030 2 1039 96 96 ARG C C 177.147 0.300 1 1040 96 96 ARG CA C 54.045 0.300 1 1041 96 96 ARG CB C 32.001 0.300 1 1042 96 96 ARG CD C 43.598 0.300 1 1043 96 96 ARG CG C 27.457 0.300 1 1044 96 96 ARG N N 124.445 0.300 1 1045 97 97 THR H H 9.243 0.030 1 1046 97 97 THR HA H 4.459 0.030 1 1047 97 97 THR HB H 4.738 0.030 1 1048 97 97 THR HG2 H 1.337 0.030 1 1049 97 97 THR C C 172.745 0.300 1 1050 97 97 THR CA C 59.637 0.300 1 1051 97 97 THR CB C 67.687 0.300 1 1052 97 97 THR CG2 C 24.280 0.300 1 1053 97 97 THR N N 119.370 0.300 1 1054 98 98 PRO HA H 4.494 0.030 1 1055 98 98 PRO HB2 H 2.403 0.030 2 1056 98 98 PRO HB3 H 1.974 0.030 2 1057 98 98 PRO HD2 H 3.796 0.030 1 1058 98 98 PRO HD3 H 3.796 0.030 1 1059 98 98 PRO HG2 H 2.021 0.030 1 1060 98 98 PRO HG3 H 2.021 0.030 1 1061 98 98 PRO CA C 63.117 0.300 1 1062 98 98 PRO CB C 32.500 0.300 1 1063 98 98 PRO CD C 50.618 0.300 1 1064 98 98 PRO CG C 27.696 0.300 1 1065 99 99 GLU H H 8.534 0.030 1 1066 99 99 GLU HA H 4.195 0.030 1 1067 99 99 GLU HB2 H 2.051 0.030 2 1068 99 99 GLU HB3 H 1.892 0.030 2 1069 99 99 GLU HG2 H 2.316 0.030 2 1070 99 99 GLU HG3 H 2.277 0.030 2 1071 99 99 GLU C C 175.881 0.300 1 1072 99 99 GLU CA C 56.330 0.300 1 1073 99 99 GLU CB C 31.062 0.300 1 1074 99 99 GLU CG C 36.421 0.300 1 1075 99 99 GLU N N 119.688 0.300 1 1076 100 100 ASP H H 8.536 0.030 1 1077 100 100 ASP HA H 4.607 0.030 1 1078 100 100 ASP HB2 H 2.759 0.030 2 1079 100 100 ASP HB3 H 2.534 0.030 2 1080 100 100 ASP C C 176.012 0.300 1 1081 100 100 ASP CA C 54.109 0.300 1 1082 100 100 ASP CB C 41.562 0.300 1 1083 100 100 ASP N N 119.803 0.300 1 1084 101 101 LEU H H 8.403 0.030 1 1085 101 101 LEU HA H 4.426 0.030 1 1086 101 101 LEU HB2 H 1.649 0.030 1 1087 101 101 LEU HB3 H 1.649 0.030 1 1088 101 101 LEU HD1 H 0.913 0.030 1 1089 101 101 LEU HD2 H 0.857 0.030 1 1090 101 101 LEU HG H 1.629 0.030 1 1091 101 101 LEU C C 177.534 0.300 1 1092 101 101 LEU CA C 55.113 0.300 1 1093 101 101 LEU CB C 42.156 0.300 1 1094 101 101 LEU CD1 C 25.243 0.300 2 1095 101 101 LEU CD2 C 23.265 0.300 2 1096 101 101 LEU CG C 27.139 0.300 1 1097 101 101 LEU N N 123.876 0.300 1 1098 102 102 SER H H 8.413 0.030 1 1099 102 102 SER HA H 4.434 0.030 1 1100 102 102 SER HB2 H 3.903 0.030 1 1101 102 102 SER HB3 H 3.903 0.030 1 1102 102 102 SER C C 174.674 0.300 1 1103 102 102 SER CA C 58.798 0.300 1 1104 102 102 SER CB C 63.854 0.300 1 1105 102 102 SER N N 116.667 0.300 1 1106 103 103 GLY H H 8.213 0.030 1 1107 103 103 GLY HA2 H 4.164 0.030 2 1108 103 103 GLY HA3 H 4.057 0.030 2 1109 103 103 GLY C C 171.822 0.300 1 1110 103 103 GLY CA C 44.658 0.300 1 1111 103 103 GLY N N 110.592 0.300 1 1112 104 104 PRO HA H 4.475 0.030 1 1113 104 104 PRO HB2 H 2.287 0.030 2 1114 104 104 PRO HB3 H 1.967 0.030 2 1115 104 104 PRO HD2 H 3.617 0.030 1 1116 104 104 PRO HD3 H 3.617 0.030 1 1117 104 104 PRO HG2 H 2.007 0.030 1 1118 104 104 PRO HG3 H 2.007 0.030 1 1119 104 104 PRO C C 177.445 0.300 1 1120 104 104 PRO CA C 63.312 0.300 1 1121 104 104 PRO CB C 32.190 0.300 1 1122 104 104 PRO CD C 49.818 0.300 1 1123 104 104 PRO CG C 27.139 0.300 1 1124 105 105 SER H H 8.538 0.030 1 1125 105 105 SER HA H 4.541 0.030 1 1126 105 105 SER HB2 H 3.859 0.030 1 1127 105 105 SER HB3 H 3.859 0.030 1 1128 105 105 SER C C 174.616 0.300 1 1129 105 105 SER CA C 58.270 0.300 1 1130 105 105 SER CB C 63.895 0.300 1 1131 105 105 SER N N 116.446 0.300 1 1132 106 106 SER H H 8.350 0.030 1 1133 106 106 SER HA H 4.541 0.030 1 1134 106 106 SER HB2 H 3.870 0.030 1 1135 106 106 SER HB3 H 3.870 0.030 1 1136 106 106 SER C C 174.530 0.300 1 1137 106 106 SER CA C 58.357 0.300 1 1138 106 106 SER CB C 64.020 0.300 1 1139 106 106 SER N N 117.448 0.300 1 1140 107 107 GLY H H 8.314 0.030 1 1141 107 107 GLY HA2 H 4.340 0.030 2 1142 107 107 GLY HA3 H 3.623 0.030 2 1143 107 107 GLY C C 171.093 0.300 1 1144 107 107 GLY CA C 44.340 0.300 1 1145 107 107 GLY N N 109.820 0.300 1 stop_ save_