data_11119 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The solution structure of the first fibronectin type III domain of human Neogenin ; _BMRB_accession_number 11119 _BMRB_flat_file_name bmr11119.str _Entry_type original _Submission_date 2010-03-31 _Accession_date 2010-03-31 _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 Tochio N. . . 2 Sasagawa A. . . 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" 630 "13C chemical shifts" 486 "15N chemical shifts" 114 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-04-01 original author . stop_ _Original_release_date 2011-04-01 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; The solution structure of the first fibronectin type III domain of human Neogenin ; _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 Tochio N. . . 2 Sasagawa A. . . 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 Neogenin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'fn3 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 'fn3 domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 120 _Mol_residue_sequence ; GSSGSSGEHAPATTGPLPSA PRDVVASLVSTRFIKLTWRT PASDPHGDNLTYSVFYTKEG IARERVENTSHPGEMQVTIQ NLMPATVYIFRVMAQNKHGS GESSAPLRVETQPESGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLU 9 HIS 10 ALA 11 PRO 12 ALA 13 THR 14 THR 15 GLY 16 PRO 17 LEU 18 PRO 19 SER 20 ALA 21 PRO 22 ARG 23 ASP 24 VAL 25 VAL 26 ALA 27 SER 28 LEU 29 VAL 30 SER 31 THR 32 ARG 33 PHE 34 ILE 35 LYS 36 LEU 37 THR 38 TRP 39 ARG 40 THR 41 PRO 42 ALA 43 SER 44 ASP 45 PRO 46 HIS 47 GLY 48 ASP 49 ASN 50 LEU 51 THR 52 TYR 53 SER 54 VAL 55 PHE 56 TYR 57 THR 58 LYS 59 GLU 60 GLY 61 ILE 62 ALA 63 ARG 64 GLU 65 ARG 66 VAL 67 GLU 68 ASN 69 THR 70 SER 71 HIS 72 PRO 73 GLY 74 GLU 75 MET 76 GLN 77 VAL 78 THR 79 ILE 80 GLN 81 ASN 82 LEU 83 MET 84 PRO 85 ALA 86 THR 87 VAL 88 TYR 89 ILE 90 PHE 91 ARG 92 VAL 93 MET 94 ALA 95 GLN 96 ASN 97 LYS 98 HIS 99 GLY 100 SER 101 GLY 102 GLU 103 SER 104 SER 105 ALA 106 PRO 107 LEU 108 ARG 109 VAL 110 GLU 111 THR 112 GLN 113 PRO 114 GLU 115 SER 116 GLY 117 PRO 118 SER 119 SER 120 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-06 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 1X5F "The Solution Structure Of The First Fibronectin Type Iii Domain Of Human Neogenin" 100.00 120 100.00 100.00 7.15e-81 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_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . P041213-02 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.9mM FN3 domain {U-15N,13C;} 20mM d-Tris {HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.9 mM '[U-13C; U-15N]' 'd-Tris HCl' 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20031121 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_KUJIRA _Saveframe_category software _Name Kujira _Version 0.9295 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 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 C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XWINNMR $NMRPipe $NMRView $KUJIRA $CYANA stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'fn3 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 7 7 GLY H H 8.392 0.030 1 2 7 7 GLY HA2 H 3.951 0.030 1 3 7 7 GLY HA3 H 3.951 0.030 1 4 7 7 GLY C C 174.145 0.300 1 5 7 7 GLY CA C 45.321 0.300 1 6 7 7 GLY N N 110.690 0.300 1 7 8 8 GLU H H 8.245 0.030 1 8 8 8 GLU HA H 4.225 0.030 1 9 8 8 GLU HB2 H 1.939 0.030 2 10 8 8 GLU HB3 H 1.851 0.030 2 11 8 8 GLU HG2 H 2.116 0.030 2 12 8 8 GLU C C 176.225 0.300 1 13 8 8 GLU CA C 56.588 0.300 1 14 8 8 GLU CB C 30.298 0.300 1 15 8 8 GLU CG C 36.172 0.300 1 16 8 8 GLU N N 120.530 0.300 1 17 9 9 HIS H H 8.342 0.030 1 18 9 9 HIS HA H 4.637 0.030 1 19 9 9 HIS HB2 H 3.147 0.030 2 20 9 9 HIS HB3 H 3.037 0.030 2 21 9 9 HIS HD2 H 7.050 0.030 1 22 9 9 HIS C C 174.627 0.300 1 23 9 9 HIS CA C 55.740 0.300 1 24 9 9 HIS CB C 30.649 0.300 1 25 9 9 HIS CD2 C 120.189 0.300 1 26 9 9 HIS N N 120.315 0.300 1 27 10 10 ALA H H 8.263 0.030 1 28 10 10 ALA HA H 4.600 0.030 1 29 10 10 ALA HB H 1.337 0.030 1 30 10 10 ALA C C 175.215 0.300 1 31 10 10 ALA CA C 50.490 0.300 1 32 10 10 ALA CB C 18.221 0.300 1 33 10 10 ALA N N 126.892 0.300 1 34 11 11 PRO HA H 4.430 0.030 1 35 11 11 PRO HB2 H 2.281 0.030 2 36 11 11 PRO HB3 H 1.908 0.030 2 37 11 11 PRO HD2 H 3.749 0.030 2 38 11 11 PRO HD3 H 3.635 0.030 2 39 11 11 PRO HG2 H 2.001 0.030 2 40 11 11 PRO HG3 H 1.908 0.030 2 41 11 11 PRO C C 176.639 0.300 1 42 11 11 PRO CA C 62.953 0.300 1 43 11 11 PRO CB C 31.878 0.300 1 44 11 11 PRO CD C 50.397 0.300 1 45 11 11 PRO CG C 27.196 0.300 1 46 12 12 ALA H H 8.482 0.030 1 47 12 12 ALA HA H 4.389 0.030 1 48 12 12 ALA HB H 1.432 0.030 1 49 12 12 ALA C C 178.103 0.300 1 50 12 12 ALA CA C 52.481 0.300 1 51 12 12 ALA CB C 19.334 0.300 1 52 12 12 ALA N N 124.441 0.300 1 53 13 13 THR H H 8.192 0.030 1 54 13 13 THR HA H 4.497 0.030 1 55 13 13 THR HB H 4.279 0.030 1 56 13 13 THR HG2 H 1.235 0.030 1 57 13 13 THR C C 174.901 0.300 1 58 13 13 THR CA C 61.423 0.300 1 59 13 13 THR CB C 70.239 0.300 1 60 13 13 THR CG2 C 21.692 0.300 1 61 13 13 THR N N 113.216 0.300 1 62 14 14 THR H H 8.275 0.030 1 63 14 14 THR HA H 4.358 0.030 1 64 14 14 THR HB H 4.290 0.030 1 65 14 14 THR HG2 H 1.221 0.030 1 66 14 14 THR C C 174.283 0.300 1 67 14 14 THR CA C 61.696 0.300 1 68 14 14 THR CB C 69.904 0.300 1 69 14 14 THR CG2 C 21.548 0.300 1 70 14 14 THR N N 115.052 0.300 1 71 15 15 GLY H H 7.698 0.030 1 72 15 15 GLY HA2 H 3.832 0.030 2 73 15 15 GLY HA3 H 2.901 0.030 2 74 15 15 GLY C C 170.420 0.300 1 75 15 15 GLY CA C 44.135 0.300 1 76 15 15 GLY N N 110.735 0.300 1 77 16 16 PRO HA H 4.323 0.030 1 78 16 16 PRO HB2 H 2.105 0.030 2 79 16 16 PRO HB3 H 1.858 0.030 2 80 16 16 PRO HD2 H 3.238 0.030 2 81 16 16 PRO HD3 H 3.389 0.030 2 82 16 16 PRO HG2 H 1.970 0.030 2 83 16 16 PRO HG3 H 1.912 0.030 2 84 16 16 PRO C C 176.039 0.300 1 85 16 16 PRO CA C 62.921 0.300 1 86 16 16 PRO CB C 31.915 0.300 1 87 16 16 PRO CD C 49.470 0.300 1 88 16 16 PRO CG C 27.029 0.300 1 89 17 17 LEU H H 8.161 0.030 1 90 17 17 LEU HA H 4.659 0.030 1 91 17 17 LEU HB2 H 1.663 0.030 2 92 17 17 LEU HB3 H 1.220 0.030 2 93 17 17 LEU HD1 H 0.972 0.030 1 94 17 17 LEU HD2 H 0.689 0.030 1 95 17 17 LEU HG H 1.722 0.030 1 96 17 17 LEU C C 175.203 0.300 1 97 17 17 LEU CA C 52.108 0.300 1 98 17 17 LEU CB C 41.529 0.300 1 99 17 17 LEU CD1 C 25.022 0.300 2 100 17 17 LEU CD2 C 22.269 0.300 2 101 17 17 LEU CG C 26.761 0.300 1 102 17 17 LEU N N 122.685 0.300 1 103 18 18 PRO HA H 4.660 0.030 1 104 18 18 PRO HB2 H 2.193 0.030 2 105 18 18 PRO HB3 H 2.054 0.030 2 106 18 18 PRO HD2 H 3.750 0.030 2 107 18 18 PRO HD3 H 3.179 0.030 2 108 18 18 PRO HG2 H 1.703 0.030 2 109 18 18 PRO HG3 H 1.770 0.030 2 110 18 18 PRO C C 177.015 0.300 1 111 18 18 PRO CA C 62.403 0.300 1 112 18 18 PRO CB C 32.462 0.300 1 113 18 18 PRO CD C 49.643 0.300 1 114 18 18 PRO CG C 27.696 0.300 1 115 19 19 SER H H 8.909 0.030 1 116 19 19 SER HA H 4.541 0.030 1 117 19 19 SER HB2 H 3.936 0.030 2 118 19 19 SER HB3 H 4.545 0.030 2 119 19 19 SER C C 173.572 0.300 1 120 19 19 SER CA C 58.002 0.300 1 121 19 19 SER CB C 64.015 0.300 1 122 19 19 SER N N 116.127 0.300 1 123 20 20 ALA H H 8.521 0.030 1 124 20 20 ALA HA H 4.656 0.030 1 125 20 20 ALA HB H 1.138 0.030 1 126 20 20 ALA C C 176.587 0.300 1 127 20 20 ALA CA C 51.267 0.300 1 128 20 20 ALA CB C 17.808 0.300 1 129 20 20 ALA N N 121.565 0.300 1 130 21 21 PRO HA H 4.173 0.030 1 131 21 21 PRO HB2 H 2.213 0.030 2 132 21 21 PRO HB3 H 1.342 0.030 2 133 21 21 PRO HD2 H 3.540 0.030 2 134 21 21 PRO HD3 H 4.454 0.030 2 135 21 21 PRO HG2 H 1.637 0.030 2 136 21 21 PRO HG3 H 1.660 0.030 2 137 21 21 PRO C C 174.746 0.300 1 138 21 21 PRO CA C 63.750 0.300 1 139 21 21 PRO CB C 31.732 0.300 1 140 21 21 PRO CD C 50.566 0.300 1 141 21 21 PRO CG C 29.015 0.300 1 142 22 22 ARG H H 7.155 0.030 1 143 22 22 ARG HA H 4.520 0.030 1 144 22 22 ARG HB2 H 1.772 0.030 2 145 22 22 ARG HB3 H 1.564 0.030 2 146 22 22 ARG HD2 H 3.347 0.030 2 147 22 22 ARG HD3 H 3.198 0.030 2 148 22 22 ARG HE H 7.594 0.030 1 149 22 22 ARG HG2 H 1.840 0.030 2 150 22 22 ARG HG3 H 1.931 0.030 2 151 22 22 ARG C C 174.786 0.300 1 152 22 22 ARG CA C 55.183 0.300 1 153 22 22 ARG CB C 34.359 0.300 1 154 22 22 ARG CD C 43.835 0.300 1 155 22 22 ARG CG C 27.743 0.300 1 156 22 22 ARG N N 120.025 0.300 1 157 22 22 ARG NE N 83.362 0.300 1 158 23 23 ASP H H 8.736 0.030 1 159 23 23 ASP HA H 4.166 0.030 1 160 23 23 ASP HB2 H 2.748 0.030 2 161 23 23 ASP HB3 H 2.522 0.030 2 162 23 23 ASP C C 173.746 0.300 1 163 23 23 ASP CA C 55.064 0.300 1 164 23 23 ASP CB C 39.812 0.300 1 165 23 23 ASP N N 117.628 0.300 1 166 24 24 VAL H H 8.037 0.030 1 167 24 24 VAL HA H 4.618 0.030 1 168 24 24 VAL HB H 2.151 0.030 1 169 24 24 VAL HG1 H 0.940 0.030 1 170 24 24 VAL HG2 H 0.889 0.030 1 171 24 24 VAL C C 176.920 0.300 1 172 24 24 VAL CA C 63.348 0.300 1 173 24 24 VAL CB C 30.862 0.300 1 174 24 24 VAL CG1 C 22.242 0.300 2 175 24 24 VAL CG2 C 20.358 0.300 2 176 24 24 VAL N N 118.376 0.300 1 177 25 25 VAL H H 9.191 0.030 1 178 25 25 VAL HA H 4.413 0.030 1 179 25 25 VAL HB H 1.871 0.030 1 180 25 25 VAL HG1 H 0.763 0.030 1 181 25 25 VAL HG2 H 0.781 0.030 1 182 25 25 VAL C C 173.871 0.300 1 183 25 25 VAL CA C 60.200 0.300 1 184 25 25 VAL CB C 36.701 0.300 1 185 25 25 VAL CG1 C 20.867 0.300 2 186 25 25 VAL CG2 C 20.695 0.300 2 187 25 25 VAL N N 125.837 0.300 1 188 26 26 ALA H H 8.426 0.030 1 189 26 26 ALA HA H 4.936 0.030 1 190 26 26 ALA HB H 1.086 0.030 1 191 26 26 ALA C C 176.035 0.300 1 192 26 26 ALA CA C 50.295 0.300 1 193 26 26 ALA CB C 17.799 0.300 1 194 26 26 ALA N N 125.792 0.300 1 195 27 27 SER H H 8.362 0.030 1 196 27 27 SER HA H 4.180 0.030 1 197 27 27 SER HB2 H 3.719 0.030 2 198 27 27 SER HB3 H 3.582 0.030 2 199 27 27 SER C C 174.786 0.300 1 200 27 27 SER CA C 59.636 0.300 1 201 27 27 SER CB C 63.756 0.300 1 202 27 27 SER N N 122.657 0.300 1 203 28 28 LEU H H 7.453 0.030 1 204 28 28 LEU HA H 4.541 0.030 1 205 28 28 LEU HB2 H 1.619 0.030 1 206 28 28 LEU HB3 H 1.619 0.030 1 207 28 28 LEU HD1 H 0.981 0.030 1 208 28 28 LEU HD2 H 0.953 0.030 1 209 28 28 LEU HG H 1.531 0.030 1 210 28 28 LEU C C 174.194 0.300 1 211 28 28 LEU CA C 55.974 0.300 1 212 28 28 LEU CB C 45.602 0.300 1 213 28 28 LEU CD1 C 24.352 0.300 2 214 28 28 LEU CD2 C 25.038 0.300 2 215 28 28 LEU CG C 27.786 0.300 1 216 28 28 LEU N N 121.291 0.300 1 217 29 29 VAL H H 8.752 0.030 1 218 29 29 VAL HA H 4.083 0.030 1 219 29 29 VAL HB H 1.983 0.030 1 220 29 29 VAL HG1 H 1.068 0.030 1 221 29 29 VAL HG2 H 0.831 0.030 1 222 29 29 VAL C C 174.261 0.300 1 223 29 29 VAL CA C 62.358 0.300 1 224 29 29 VAL CB C 33.722 0.300 1 225 29 29 VAL CG1 C 22.258 0.300 2 226 29 29 VAL CG2 C 21.897 0.300 2 227 29 29 VAL N N 126.543 0.300 1 228 30 30 SER H H 7.542 0.030 1 229 30 30 SER HA H 4.690 0.030 1 230 30 30 SER HB2 H 2.735 0.030 2 231 30 30 SER HB3 H 2.325 0.030 2 232 30 30 SER C C 174.899 0.300 1 233 30 30 SER CA C 53.779 0.300 1 234 30 30 SER CB C 63.117 0.300 1 235 30 30 SER N N 122.041 0.300 1 236 31 31 THR H H 8.460 0.030 1 237 31 31 THR HA H 4.617 0.030 1 238 31 31 THR HB H 4.049 0.030 1 239 31 31 THR HG2 H 1.172 0.030 1 240 31 31 THR C C 175.422 0.300 1 241 31 31 THR CA C 62.817 0.300 1 242 31 31 THR CB C 69.191 0.300 1 243 31 31 THR CG2 C 23.691 0.300 1 244 31 31 THR N N 113.058 0.300 1 245 32 32 ARG H H 7.041 0.030 1 246 32 32 ARG HA H 4.570 0.030 1 247 32 32 ARG HB2 H 2.360 0.030 2 248 32 32 ARG HB3 H 1.553 0.030 2 249 32 32 ARG HD2 H 3.366 0.030 2 250 32 32 ARG HD3 H 3.161 0.030 2 251 32 32 ARG HG2 H 1.695 0.030 2 252 32 32 ARG HG3 H 1.563 0.030 2 253 32 32 ARG C C 176.292 0.300 1 254 32 32 ARG CA C 54.582 0.300 1 255 32 32 ARG CB C 32.173 0.300 1 256 32 32 ARG CD C 43.339 0.300 1 257 32 32 ARG CG C 28.704 0.300 1 258 32 32 ARG N N 111.049 0.300 1 259 33 33 PHE H H 7.034 0.030 1 260 33 33 PHE HA H 5.365 0.030 1 261 33 33 PHE HB2 H 3.023 0.030 2 262 33 33 PHE HB3 H 2.866 0.030 2 263 33 33 PHE HD1 H 6.876 0.030 1 264 33 33 PHE HD2 H 6.876 0.030 1 265 33 33 PHE HE1 H 7.209 0.030 1 266 33 33 PHE HE2 H 7.209 0.030 1 267 33 33 PHE HZ H 7.265 0.030 1 268 33 33 PHE C C 172.328 0.300 1 269 33 33 PHE CA C 56.252 0.300 1 270 33 33 PHE CB C 41.799 0.300 1 271 33 33 PHE CD1 C 132.366 0.300 1 272 33 33 PHE CD2 C 132.366 0.300 1 273 33 33 PHE CE1 C 131.138 0.300 1 274 33 33 PHE CE2 C 131.138 0.300 1 275 33 33 PHE CZ C 129.940 0.300 1 276 33 33 PHE N N 113.347 0.300 1 277 34 34 ILE H H 8.296 0.030 1 278 34 34 ILE HA H 4.465 0.030 1 279 34 34 ILE HB H 1.226 0.030 1 280 34 34 ILE HD1 H 0.668 0.030 1 281 34 34 ILE HG12 H 1.421 0.030 2 282 34 34 ILE HG13 H 0.883 0.030 2 283 34 34 ILE HG2 H 0.515 0.030 1 284 34 34 ILE C C 173.527 0.300 1 285 34 34 ILE CA C 60.140 0.300 1 286 34 34 ILE CB C 44.419 0.300 1 287 34 34 ILE CD1 C 15.180 0.300 1 288 34 34 ILE CG1 C 29.315 0.300 1 289 34 34 ILE CG2 C 17.768 0.300 1 290 34 34 ILE N N 118.140 0.300 1 291 35 35 LYS H H 9.218 0.030 1 292 35 35 LYS HA H 5.260 0.030 1 293 35 35 LYS HB2 H 1.824 0.030 2 294 35 35 LYS HB3 H 1.636 0.030 2 295 35 35 LYS HD2 H 1.522 0.030 2 296 35 35 LYS HD3 H 1.431 0.030 2 297 35 35 LYS HE2 H 2.708 0.030 2 298 35 35 LYS HE3 H 2.616 0.030 2 299 35 35 LYS HG2 H 1.385 0.030 2 300 35 35 LYS HG3 H 1.152 0.030 2 301 35 35 LYS C C 174.757 0.300 1 302 35 35 LYS CA C 55.145 0.300 1 303 35 35 LYS CB C 35.495 0.300 1 304 35 35 LYS CD C 29.779 0.300 1 305 35 35 LYS CE C 42.063 0.300 1 306 35 35 LYS CG C 25.237 0.300 1 307 35 35 LYS N N 127.337 0.300 1 308 36 36 LEU H H 8.682 0.030 1 309 36 36 LEU HA H 5.307 0.030 1 310 36 36 LEU HB2 H 1.575 0.030 2 311 36 36 LEU HB3 H 1.454 0.030 2 312 36 36 LEU HD1 H 0.289 0.030 1 313 36 36 LEU HD2 H 0.249 0.030 1 314 36 36 LEU HG H 1.252 0.030 1 315 36 36 LEU C C 175.517 0.300 1 316 36 36 LEU CA C 53.068 0.300 1 317 36 36 LEU CB C 46.726 0.300 1 318 36 36 LEU CD1 C 24.422 0.300 2 319 36 36 LEU CD2 C 25.528 0.300 2 320 36 36 LEU CG C 26.994 0.300 1 321 36 36 LEU N N 126.471 0.300 1 322 37 37 THR H H 8.883 0.030 1 323 37 37 THR HA H 4.573 0.030 1 324 37 37 THR HB H 3.991 0.030 1 325 37 37 THR HG2 H 1.022 0.030 1 326 37 37 THR C C 171.823 0.300 1 327 37 37 THR CA C 60.093 0.300 1 328 37 37 THR CB C 71.974 0.300 1 329 37 37 THR CG2 C 20.858 0.300 1 330 37 37 THR N N 112.288 0.300 1 331 38 38 TRP H H 7.048 0.030 1 332 38 38 TRP HA H 5.046 0.030 1 333 38 38 TRP HB2 H 3.484 0.030 2 334 38 38 TRP HB3 H 3.061 0.030 2 335 38 38 TRP HD1 H 6.603 0.030 1 336 38 38 TRP HE1 H 5.611 0.030 1 337 38 38 TRP HE3 H 6.889 0.030 1 338 38 38 TRP HH2 H 6.404 0.030 1 339 38 38 TRP HZ2 H 6.767 0.030 1 340 38 38 TRP HZ3 H 6.530 0.030 1 341 38 38 TRP C C 172.934 0.300 1 342 38 38 TRP CA C 56.750 0.300 1 343 38 38 TRP CB C 30.238 0.300 1 344 38 38 TRP CD1 C 125.673 0.300 1 345 38 38 TRP CE3 C 119.192 0.300 1 346 38 38 TRP CH2 C 122.422 0.300 1 347 38 38 TRP CZ2 C 113.749 0.300 1 348 38 38 TRP CZ3 C 121.058 0.300 1 349 38 38 TRP N N 116.548 0.300 1 350 38 38 TRP NE1 N 123.078 0.300 1 351 39 39 ARG H H 9.137 0.030 1 352 39 39 ARG HA H 4.873 0.030 1 353 39 39 ARG HB2 H 1.936 0.030 2 354 39 39 ARG HB3 H 1.645 0.030 2 355 39 39 ARG HD2 H 3.248 0.030 1 356 39 39 ARG HD3 H 3.248 0.030 1 357 39 39 ARG HG2 H 1.653 0.030 2 358 39 39 ARG HG3 H 1.755 0.030 2 359 39 39 ARG C C 176.218 0.300 1 360 39 39 ARG CA C 54.412 0.300 1 361 39 39 ARG CB C 33.579 0.300 1 362 39 39 ARG CD C 43.874 0.300 1 363 39 39 ARG CG C 28.078 0.300 1 364 39 39 ARG N N 116.339 0.300 1 365 40 40 THR H H 7.763 0.030 1 366 40 40 THR HA H 4.622 0.030 1 367 40 40 THR HB H 4.471 0.030 1 368 40 40 THR HG2 H 1.384 0.030 1 369 40 40 THR C C 172.945 0.300 1 370 40 40 THR CA C 59.875 0.300 1 371 40 40 THR CB C 68.656 0.300 1 372 40 40 THR CG2 C 23.348 0.300 1 373 40 40 THR N N 111.914 0.300 1 374 41 41 PRO HA H 4.505 0.030 1 375 41 41 PRO HB2 H 2.356 0.030 2 376 41 41 PRO HB3 H 1.782 0.030 2 377 41 41 PRO HD2 H 4.229 0.030 2 378 41 41 PRO HD3 H 3.734 0.030 2 379 41 41 PRO HG2 H 1.884 0.030 2 380 41 41 PRO HG3 H 1.668 0.030 2 381 41 41 PRO C C 177.296 0.300 1 382 41 41 PRO CA C 62.535 0.300 1 383 41 41 PRO CB C 33.556 0.300 1 384 41 41 PRO CD C 51.676 0.300 1 385 41 41 PRO CG C 28.757 0.300 1 386 42 42 ALA H H 9.154 0.030 1 387 42 42 ALA HA H 3.848 0.030 1 388 42 42 ALA HB H 1.377 0.030 1 389 42 42 ALA C C 178.753 0.300 1 390 42 42 ALA CA C 54.452 0.300 1 391 42 42 ALA CB C 18.117 0.300 1 392 42 42 ALA N N 125.317 0.300 1 393 43 43 SER H H 7.811 0.030 1 394 43 43 SER HA H 4.049 0.030 1 395 43 43 SER HB2 H 3.811 0.030 2 396 43 43 SER HB3 H 4.125 0.030 2 397 43 43 SER C C 174.397 0.300 1 398 43 43 SER CA C 59.872 0.300 1 399 43 43 SER CB C 63.166 0.300 1 400 43 43 SER N N 109.285 0.300 1 401 44 44 ASP H H 7.205 0.030 1 402 44 44 ASP HA H 5.136 0.030 1 403 44 44 ASP HB2 H 2.626 0.030 2 404 44 44 ASP HB3 H 2.182 0.030 2 405 44 44 ASP C C 172.387 0.300 1 406 44 44 ASP CA C 52.129 0.300 1 407 44 44 ASP CB C 43.980 0.300 1 408 44 44 ASP N N 121.225 0.300 1 409 45 45 PRO HA H 4.240 0.030 1 410 45 45 PRO HB2 H 2.135 0.030 2 411 45 45 PRO HB3 H 1.700 0.030 2 412 45 45 PRO HD2 H 3.501 0.030 2 413 45 45 PRO HD3 H 3.660 0.030 2 414 45 45 PRO HG2 H 1.750 0.030 2 415 45 45 PRO HG3 H 1.959 0.030 2 416 45 45 PRO C C 178.507 0.300 1 417 45 45 PRO CA C 64.462 0.300 1 418 45 45 PRO CB C 31.920 0.300 1 419 45 45 PRO CD C 49.795 0.300 1 420 45 45 PRO CG C 27.219 0.300 1 421 46 46 HIS H H 8.276 0.030 1 422 46 46 HIS HA H 4.771 0.030 1 423 46 46 HIS HB2 H 3.327 0.030 2 424 46 46 HIS HB3 H 3.175 0.030 2 425 46 46 HIS HD2 H 7.120 0.030 1 426 46 46 HIS C C 177.107 0.300 1 427 46 46 HIS CA C 56.180 0.300 1 428 46 46 HIS CB C 29.929 0.300 1 429 46 46 HIS CD2 C 119.991 0.300 1 430 46 46 HIS N N 117.289 0.300 1 431 47 47 GLY H H 8.078 0.030 1 432 47 47 GLY HA2 H 4.116 0.030 2 433 47 47 GLY HA3 H 3.949 0.030 2 434 47 47 GLY C C 175.362 0.300 1 435 47 47 GLY CA C 46.932 0.300 1 436 47 47 GLY N N 108.040 0.300 1 437 48 48 ASP H H 8.454 0.030 1 438 48 48 ASP HA H 4.415 0.030 1 439 48 48 ASP HB2 H 2.625 0.030 1 440 48 48 ASP HB3 H 2.625 0.030 1 441 48 48 ASP C C 175.843 0.300 1 442 48 48 ASP CA C 55.984 0.300 1 443 48 48 ASP CB C 40.584 0.300 1 444 48 48 ASP N N 120.567 0.300 1 445 49 49 ASN H H 8.852 0.030 1 446 49 49 ASN HA H 4.639 0.030 1 447 49 49 ASN HB2 H 2.922 0.030 2 448 49 49 ASN HB3 H 2.853 0.030 2 449 49 49 ASN HD21 H 7.668 0.030 2 450 49 49 ASN HD22 H 7.054 0.030 2 451 49 49 ASN C C 174.583 0.300 1 452 49 49 ASN CA C 53.601 0.300 1 453 49 49 ASN CB C 38.674 0.300 1 454 49 49 ASN N N 113.939 0.300 1 455 49 49 ASN ND2 N 114.196 0.300 1 456 50 50 LEU H H 7.264 0.030 1 457 50 50 LEU HA H 4.853 0.030 1 458 50 50 LEU HB2 H 1.685 0.030 2 459 50 50 LEU HB3 H 0.997 0.030 2 460 50 50 LEU HD1 H 0.960 0.030 1 461 50 50 LEU HD2 H 0.771 0.030 1 462 50 50 LEU HG H 1.615 0.030 1 463 50 50 LEU C C 177.263 0.300 1 464 50 50 LEU CA C 54.597 0.300 1 465 50 50 LEU CB C 43.545 0.300 1 466 50 50 LEU CD1 C 26.699 0.300 2 467 50 50 LEU CD2 C 24.183 0.300 2 468 50 50 LEU CG C 26.816 0.300 1 469 50 50 LEU N N 118.773 0.300 1 470 51 51 THR H H 7.838 0.030 1 471 51 51 THR HA H 4.829 0.030 1 472 51 51 THR HB H 4.304 0.030 1 473 51 51 THR HG2 H 0.963 0.030 1 474 51 51 THR C C 172.564 0.300 1 475 51 51 THR CA C 60.538 0.300 1 476 51 51 THR CB C 70.603 0.300 1 477 51 51 THR CG2 C 21.549 0.300 1 478 51 51 THR N N 110.438 0.300 1 479 52 52 TYR H H 8.196 0.030 1 480 52 52 TYR HA H 5.576 0.030 1 481 52 52 TYR HB2 H 2.824 0.030 2 482 52 52 TYR HB3 H 2.517 0.030 2 483 52 52 TYR HD1 H 6.763 0.030 1 484 52 52 TYR HD2 H 6.763 0.030 1 485 52 52 TYR C C 175.543 0.300 1 486 52 52 TYR CA C 57.018 0.300 1 487 52 52 TYR CB C 43.024 0.300 1 488 52 52 TYR N N 114.185 0.300 1 489 53 53 SER H H 9.091 0.030 1 490 53 53 SER HA H 5.115 0.030 1 491 53 53 SER HB2 H 3.425 0.030 1 492 53 53 SER HB3 H 3.425 0.030 1 493 53 53 SER C C 171.575 0.300 1 494 53 53 SER CA C 57.715 0.300 1 495 53 53 SER CB C 66.513 0.300 1 496 53 53 SER N N 117.186 0.300 1 497 54 54 VAL H H 9.106 0.030 1 498 54 54 VAL HA H 4.732 0.030 1 499 54 54 VAL HB H 2.158 0.030 1 500 54 54 VAL HG1 H 1.002 0.030 1 501 54 54 VAL HG2 H 0.764 0.030 1 502 54 54 VAL C C 174.256 0.300 1 503 54 54 VAL CA C 61.000 0.300 1 504 54 54 VAL CB C 33.068 0.300 1 505 54 54 VAL CG1 C 22.024 0.300 2 506 54 54 VAL CG2 C 21.810 0.300 2 507 54 54 VAL N N 124.508 0.300 1 508 55 55 PHE H H 9.339 0.030 1 509 55 55 PHE HA H 5.608 0.030 1 510 55 55 PHE HB2 H 2.870 0.030 2 511 55 55 PHE HB3 H 2.827 0.030 2 512 55 55 PHE HD1 H 6.982 0.030 1 513 55 55 PHE HD2 H 6.982 0.030 1 514 55 55 PHE HE1 H 7.233 0.030 1 515 55 55 PHE HE2 H 7.233 0.030 1 516 55 55 PHE HZ H 7.227 0.030 1 517 55 55 PHE C C 176.555 0.300 1 518 55 55 PHE CA C 55.984 0.300 1 519 55 55 PHE CB C 41.790 0.300 1 520 55 55 PHE CD1 C 131.790 0.300 1 521 55 55 PHE CD2 C 131.790 0.300 1 522 55 55 PHE CE1 C 131.379 0.300 1 523 55 55 PHE CE2 C 131.379 0.300 1 524 55 55 PHE CZ C 129.187 0.300 1 525 55 55 PHE N N 127.230 0.300 1 526 56 56 TYR H H 9.134 0.030 1 527 56 56 TYR HA H 5.975 0.030 1 528 56 56 TYR HB2 H 2.850 0.030 2 529 56 56 TYR HB3 H 1.905 0.030 2 530 56 56 TYR HD1 H 6.692 0.030 1 531 56 56 TYR HD2 H 6.692 0.030 1 532 56 56 TYR HE1 H 6.522 0.030 1 533 56 56 TYR HE2 H 6.522 0.030 1 534 56 56 TYR C C 173.696 0.300 1 535 56 56 TYR CA C 55.290 0.300 1 536 56 56 TYR CB C 43.421 0.300 1 537 56 56 TYR CD1 C 133.222 0.300 1 538 56 56 TYR CD2 C 133.222 0.300 1 539 56 56 TYR CE1 C 118.084 0.300 1 540 56 56 TYR CE2 C 118.084 0.300 1 541 56 56 TYR N N 117.326 0.300 1 542 57 57 THR H H 8.181 0.030 1 543 57 57 THR HA H 4.724 0.030 1 544 57 57 THR HB H 3.998 0.030 1 545 57 57 THR HG2 H 1.124 0.030 1 546 57 57 THR C C 172.538 0.300 1 547 57 57 THR CA C 58.599 0.300 1 548 57 57 THR CB C 70.863 0.300 1 549 57 57 THR CG2 C 19.699 0.300 1 550 57 57 THR N N 113.430 0.300 1 551 58 58 LYS H H 8.309 0.030 1 552 58 58 LYS HA H 4.364 0.030 1 553 58 58 LYS HB2 H 1.591 0.030 1 554 58 58 LYS HB3 H 1.591 0.030 1 555 58 58 LYS HD2 H 1.606 0.030 1 556 58 58 LYS HD3 H 1.606 0.030 1 557 58 58 LYS HE2 H 2.970 0.030 1 558 58 58 LYS HE3 H 2.970 0.030 1 559 58 58 LYS HG2 H 1.198 0.030 1 560 58 58 LYS HG3 H 1.198 0.030 1 561 58 58 LYS C C 176.388 0.300 1 562 58 58 LYS CA C 56.180 0.300 1 563 58 58 LYS CB C 33.615 0.300 1 564 58 58 LYS CD C 29.914 0.300 1 565 58 58 LYS CE C 42.172 0.300 1 566 58 58 LYS CG C 24.804 0.300 1 567 58 58 LYS N N 126.436 0.300 1 568 59 59 GLU H H 8.349 0.030 1 569 59 59 GLU HA H 3.855 0.030 1 570 59 59 GLU HB2 H 1.919 0.030 2 571 59 59 GLU HB3 H 1.660 0.030 2 572 59 59 GLU HG2 H 2.133 0.030 2 573 59 59 GLU HG3 H 2.067 0.030 2 574 59 59 GLU C C 176.641 0.300 1 575 59 59 GLU CA C 58.689 0.300 1 576 59 59 GLU CB C 29.742 0.300 1 577 59 59 GLU CG C 36.569 0.300 1 578 59 59 GLU N N 125.879 0.300 1 579 60 60 GLY H H 8.674 0.030 1 580 60 60 GLY HA2 H 4.298 0.030 2 581 60 60 GLY HA3 H 3.609 0.030 2 582 60 60 GLY C C 173.942 0.300 1 583 60 60 GLY CA C 44.937 0.300 1 584 60 60 GLY N N 114.512 0.300 1 585 61 61 ILE H H 8.074 0.030 1 586 61 61 ILE HA H 4.336 0.030 1 587 61 61 ILE HB H 2.063 0.030 1 588 61 61 ILE HD1 H 0.833 0.030 1 589 61 61 ILE HG12 H 1.375 0.030 2 590 61 61 ILE HG13 H 1.186 0.030 2 591 61 61 ILE HG2 H 0.965 0.030 1 592 61 61 ILE C C 176.118 0.300 1 593 61 61 ILE CA C 59.631 0.300 1 594 61 61 ILE CB C 37.982 0.300 1 595 61 61 ILE CD1 C 11.774 0.300 1 596 61 61 ILE CG1 C 27.095 0.300 1 597 61 61 ILE CG2 C 17.638 0.300 1 598 61 61 ILE N N 121.741 0.300 1 599 62 62 ALA H H 8.484 0.030 1 600 62 62 ALA HA H 4.277 0.030 1 601 62 62 ALA HB H 1.360 0.030 1 602 62 62 ALA C C 177.294 0.300 1 603 62 62 ALA CA C 53.177 0.300 1 604 62 62 ALA CB C 18.804 0.300 1 605 62 62 ALA N N 129.667 0.300 1 606 63 63 ARG H H 7.515 0.030 1 607 63 63 ARG HA H 4.328 0.030 1 608 63 63 ARG HB2 H 1.766 0.030 2 609 63 63 ARG HB3 H 1.710 0.030 2 610 63 63 ARG HD2 H 3.188 0.030 2 611 63 63 ARG HG2 H 1.606 0.030 2 612 63 63 ARG HG3 H 1.534 0.030 2 613 63 63 ARG C C 175.086 0.300 1 614 63 63 ARG CA C 55.992 0.300 1 615 63 63 ARG CB C 30.563 0.300 1 616 63 63 ARG CD C 43.372 0.300 1 617 63 63 ARG CG C 27.076 0.300 1 618 63 63 ARG N N 119.765 0.300 1 619 64 64 GLU H H 8.627 0.030 1 620 64 64 GLU HA H 4.376 0.030 1 621 64 64 GLU HB2 H 1.957 0.030 2 622 64 64 GLU HB3 H 2.054 0.030 2 623 64 64 GLU HG2 H 2.239 0.030 2 624 64 64 GLU HG3 H 1.965 0.030 2 625 64 64 GLU C C 176.815 0.300 1 626 64 64 GLU CA C 56.295 0.300 1 627 64 64 GLU CB C 31.826 0.300 1 628 64 64 GLU CG C 37.718 0.300 1 629 64 64 GLU N N 125.342 0.300 1 630 65 65 ARG H H 8.393 0.030 1 631 65 65 ARG HA H 4.400 0.030 1 632 65 65 ARG HB2 H 1.519 0.030 2 633 65 65 ARG HB3 H 0.582 0.030 2 634 65 65 ARG HD2 H 3.138 0.030 1 635 65 65 ARG HD3 H 3.138 0.030 1 636 65 65 ARG HG2 H 1.524 0.030 1 637 65 65 ARG HG3 H 1.524 0.030 1 638 65 65 ARG C C 173.786 0.300 1 639 65 65 ARG CA C 54.645 0.300 1 640 65 65 ARG CB C 32.565 0.300 1 641 65 65 ARG CD C 43.479 0.300 1 642 65 65 ARG CG C 27.757 0.300 1 643 65 65 ARG N N 124.086 0.300 1 644 66 66 VAL H H 8.029 0.030 1 645 66 66 VAL HA H 5.275 0.030 1 646 66 66 VAL HB H 1.590 0.030 1 647 66 66 VAL HG1 H 0.581 0.030 1 648 66 66 VAL HG2 H 0.233 0.030 1 649 66 66 VAL C C 175.371 0.300 1 650 66 66 VAL CA C 59.661 0.300 1 651 66 66 VAL CB C 35.230 0.300 1 652 66 66 VAL CG1 C 19.802 0.300 2 653 66 66 VAL CG2 C 21.662 0.300 2 654 66 66 VAL N N 117.598 0.300 1 655 67 67 GLU H H 9.207 0.030 1 656 67 67 GLU HA H 4.701 0.030 1 657 67 67 GLU HB2 H 2.002 0.030 2 658 67 67 GLU HB3 H 1.871 0.030 2 659 67 67 GLU HG2 H 2.321 0.030 2 660 67 67 GLU HG3 H 2.284 0.030 2 661 67 67 GLU C C 174.488 0.300 1 662 67 67 GLU CA C 54.722 0.300 1 663 67 67 GLU CB C 33.417 0.300 1 664 67 67 GLU CG C 35.802 0.300 1 665 67 67 GLU N N 128.547 0.300 1 666 68 68 ASN H H 8.940 0.030 1 667 68 68 ASN HA H 5.744 0.030 1 668 68 68 ASN HB2 H 2.939 0.030 2 669 68 68 ASN HB3 H 2.622 0.030 2 670 68 68 ASN HD21 H 7.480 0.030 2 671 68 68 ASN HD22 H 6.664 0.030 2 672 68 68 ASN C C 176.786 0.300 1 673 68 68 ASN CA C 52.154 0.300 1 674 68 68 ASN CB C 41.632 0.300 1 675 68 68 ASN N N 122.697 0.300 1 676 68 68 ASN ND2 N 113.038 0.300 1 677 69 69 THR H H 8.700 0.030 1 678 69 69 THR HA H 4.637 0.030 1 679 69 69 THR HB H 4.914 0.030 1 680 69 69 THR HG2 H 1.621 0.030 1 681 69 69 THR C C 175.343 0.300 1 682 69 69 THR CA C 62.165 0.300 1 683 69 69 THR CB C 69.775 0.300 1 684 69 69 THR CG2 C 23.744 0.300 1 685 69 69 THR N N 111.486 0.300 1 686 70 70 SER H H 8.895 0.030 1 687 70 70 SER HA H 4.500 0.030 1 688 70 70 SER HB2 H 3.932 0.030 2 689 70 70 SER HB3 H 3.769 0.030 2 690 70 70 SER C C 174.150 0.300 1 691 70 70 SER CA C 60.222 0.300 1 692 70 70 SER CB C 64.657 0.300 1 693 70 70 SER N N 114.487 0.300 1 694 71 71 HIS H H 7.849 0.030 1 695 71 71 HIS HA H 5.182 0.030 1 696 71 71 HIS HB2 H 3.265 0.030 2 697 71 71 HIS HB3 H 2.986 0.030 2 698 71 71 HIS HD2 H 7.204 0.030 1 699 71 71 HIS C C 173.237 0.300 1 700 71 71 HIS CA C 53.633 0.300 1 701 71 71 HIS CB C 30.815 0.300 1 702 71 71 HIS CD2 C 121.379 0.300 1 703 71 71 HIS N N 118.732 0.300 1 704 72 72 PRO HA H 4.662 0.030 1 705 72 72 PRO HB2 H 2.265 0.030 2 706 72 72 PRO HB3 H 2.075 0.030 2 707 72 72 PRO HD2 H 3.663 0.030 2 708 72 72 PRO HD3 H 3.979 0.030 2 709 72 72 PRO HG2 H 2.172 0.030 2 710 72 72 PRO HG3 H 1.909 0.030 2 711 72 72 PRO C C 177.494 0.300 1 712 72 72 PRO CA C 63.833 0.300 1 713 72 72 PRO CB C 31.827 0.300 1 714 72 72 PRO CD C 51.334 0.300 1 715 72 72 PRO CG C 27.826 0.300 1 716 73 73 GLY H H 9.400 0.030 1 717 73 73 GLY HA2 H 4.379 0.030 2 718 73 73 GLY HA3 H 4.008 0.030 2 719 73 73 GLY C C 174.190 0.300 1 720 73 73 GLY CA C 45.687 0.300 1 721 73 73 GLY N N 112.150 0.300 1 722 74 74 GLU H H 7.415 0.030 1 723 74 74 GLU HA H 4.314 0.030 1 724 74 74 GLU HB2 H 2.295 0.030 2 725 74 74 GLU HB3 H 2.093 0.030 2 726 74 74 GLU HG2 H 2.373 0.030 1 727 74 74 GLU HG3 H 2.373 0.030 1 728 74 74 GLU C C 176.360 0.300 1 729 74 74 GLU CA C 57.046 0.300 1 730 74 74 GLU CB C 31.215 0.300 1 731 74 74 GLU CG C 36.921 0.300 1 732 74 74 GLU N N 120.567 0.300 1 733 75 75 MET H H 8.320 0.030 1 734 75 75 MET HA H 3.894 0.030 1 735 75 75 MET HB2 H 1.474 0.030 2 736 75 75 MET HB3 H 1.288 0.030 2 737 75 75 MET HE H 2.069 0.030 1 738 75 75 MET HG2 H 2.404 0.030 2 739 75 75 MET HG3 H 2.050 0.030 2 740 75 75 MET C C 172.493 0.300 1 741 75 75 MET CA C 53.548 0.300 1 742 75 75 MET CB C 31.091 0.300 1 743 75 75 MET CE C 16.877 0.300 1 744 75 75 MET CG C 31.771 0.300 1 745 75 75 MET N N 125.311 0.300 1 746 76 76 GLN H H 6.340 0.030 1 747 76 76 GLN HA H 4.508 0.030 1 748 76 76 GLN HB2 H 1.769 0.030 2 749 76 76 GLN HE21 H 7.410 0.030 2 750 76 76 GLN HE22 H 6.654 0.030 2 751 76 76 GLN HG2 H 2.049 0.030 2 752 76 76 GLN HG3 H 1.980 0.030 2 753 76 76 GLN C C 174.345 0.300 1 754 76 76 GLN CA C 53.298 0.300 1 755 76 76 GLN CB C 31.502 0.300 1 756 76 76 GLN CG C 31.793 0.300 1 757 76 76 GLN N N 112.020 0.300 1 758 76 76 GLN NE2 N 111.298 0.300 1 759 77 77 VAL H H 8.308 0.030 1 760 77 77 VAL HA H 4.414 0.030 1 761 77 77 VAL HB H 2.153 0.030 1 762 77 77 VAL HG1 H 0.967 0.030 1 763 77 77 VAL HG2 H 1.014 0.030 1 764 77 77 VAL C C 172.727 0.300 1 765 77 77 VAL CA C 60.986 0.300 1 766 77 77 VAL CB C 36.039 0.300 1 767 77 77 VAL CG1 C 21.627 0.300 2 768 77 77 VAL CG2 C 21.699 0.300 2 769 77 77 VAL N N 115.995 0.300 1 770 78 78 THR H H 8.509 0.030 1 771 78 78 THR HA H 4.794 0.030 1 772 78 78 THR HB H 3.879 0.030 1 773 78 78 THR HG2 H 0.801 0.030 1 774 78 78 THR C C 173.121 0.300 1 775 78 78 THR CA C 62.352 0.300 1 776 78 78 THR CB C 68.913 0.300 1 777 78 78 THR CG2 C 21.692 0.300 1 778 78 78 THR N N 121.310 0.300 1 779 79 79 ILE H H 9.123 0.030 1 780 79 79 ILE HA H 4.102 0.030 1 781 79 79 ILE HB H 1.702 0.030 1 782 79 79 ILE HD1 H 0.537 0.030 1 783 79 79 ILE HG12 H 1.112 0.030 1 784 79 79 ILE HG13 H 1.112 0.030 1 785 79 79 ILE HG2 H 0.329 0.030 1 786 79 79 ILE C C 174.802 0.300 1 787 79 79 ILE CA C 59.838 0.300 1 788 79 79 ILE CB C 36.708 0.300 1 789 79 79 ILE CD1 C 12.458 0.300 1 790 79 79 ILE CG1 C 27.003 0.300 1 791 79 79 ILE CG2 C 18.080 0.300 1 792 79 79 ILE N N 129.720 0.300 1 793 80 80 GLN H H 8.424 0.030 1 794 80 80 GLN HA H 4.841 0.030 1 795 80 80 GLN HB2 H 2.156 0.030 2 796 80 80 GLN HB3 H 1.921 0.030 2 797 80 80 GLN HE21 H 7.361 0.030 2 798 80 80 GLN HE22 H 6.595 0.030 2 799 80 80 GLN HG2 H 2.097 0.030 2 800 80 80 GLN HG3 H 2.281 0.030 2 801 80 80 GLN C C 174.533 0.300 1 802 80 80 GLN CA C 54.330 0.300 1 803 80 80 GLN CB C 31.499 0.300 1 804 80 80 GLN CG C 33.781 0.300 1 805 80 80 GLN N N 123.757 0.300 1 806 80 80 GLN NE2 N 111.016 0.300 1 807 81 81 ASN H H 8.865 0.030 1 808 81 81 ASN HA H 4.438 0.030 1 809 81 81 ASN HB2 H 3.062 0.030 2 810 81 81 ASN HB3 H 2.927 0.030 2 811 81 81 ASN HD21 H 7.739 0.030 2 812 81 81 ASN HD22 H 6.998 0.030 2 813 81 81 ASN C C 174.724 0.300 1 814 81 81 ASN CA C 54.491 0.300 1 815 81 81 ASN CB C 37.150 0.300 1 816 81 81 ASN N N 112.569 0.300 1 817 81 81 ASN ND2 N 114.875 0.300 1 818 82 82 LEU H H 8.162 0.030 1 819 82 82 LEU HA H 4.477 0.030 1 820 82 82 LEU HB2 H 1.349 0.030 2 821 82 82 LEU HB3 H 0.941 0.030 2 822 82 82 LEU HD1 H 0.169 0.030 1 823 82 82 LEU HD2 H 0.034 0.030 1 824 82 82 LEU HG H 1.132 0.030 1 825 82 82 LEU C C 176.005 0.300 1 826 82 82 LEU CA C 53.140 0.300 1 827 82 82 LEU CB C 41.584 0.300 1 828 82 82 LEU CD1 C 25.786 0.300 2 829 82 82 LEU CD2 C 19.642 0.300 2 830 82 82 LEU CG C 25.876 0.300 1 831 82 82 LEU N N 117.164 0.300 1 832 83 83 MET H H 8.499 0.030 1 833 83 83 MET HA H 5.112 0.030 1 834 83 83 MET HB2 H 2.825 0.030 2 835 83 83 MET HB3 H 2.634 0.030 2 836 83 83 MET HE H 2.164 0.030 1 837 83 83 MET HG2 H 2.135 0.030 2 838 83 83 MET HG3 H 2.055 0.030 2 839 83 83 MET C C 174.305 0.300 1 840 83 83 MET CA C 52.175 0.300 1 841 83 83 MET CB C 32.658 0.300 1 842 83 83 MET CE C 17.282 0.300 1 843 83 83 MET CG C 33.280 0.300 1 844 83 83 MET N N 119.175 0.300 1 845 84 84 PRO HA H 5.164 0.030 1 846 84 84 PRO HB2 H 1.999 0.030 2 847 84 84 PRO HB3 H 2.485 0.030 2 848 84 84 PRO HD2 H 3.817 0.030 2 849 84 84 PRO HD3 H 3.661 0.030 2 850 84 84 PRO HG2 H 1.782 0.030 2 851 84 84 PRO HG3 H 2.028 0.030 2 852 84 84 PRO C C 177.339 0.300 1 853 84 84 PRO CA C 62.784 0.300 1 854 84 84 PRO CB C 33.261 0.300 1 855 84 84 PRO CD C 51.046 0.300 1 856 84 84 PRO CG C 27.463 0.300 1 857 85 85 ALA H H 7.435 0.030 1 858 85 85 ALA HA H 4.005 0.030 1 859 85 85 ALA HB H 1.274 0.030 1 860 85 85 ALA C C 175.853 0.300 1 861 85 85 ALA CA C 52.303 0.300 1 862 85 85 ALA CB C 17.979 0.300 1 863 85 85 ALA N N 128.428 0.300 1 864 86 86 THR H H 8.486 0.030 1 865 86 86 THR HA H 4.472 0.030 1 866 86 86 THR HB H 3.964 0.030 1 867 86 86 THR HG2 H 0.711 0.030 1 868 86 86 THR C C 171.247 0.300 1 869 86 86 THR CA C 62.776 0.300 1 870 86 86 THR CB C 71.820 0.300 1 871 86 86 THR CG2 C 20.493 0.300 1 872 86 86 THR N N 115.439 0.300 1 873 87 87 VAL H H 8.416 0.030 1 874 87 87 VAL HA H 4.222 0.030 1 875 87 87 VAL HB H 1.880 0.030 1 876 87 87 VAL HG1 H 0.719 0.030 1 877 87 87 VAL HG2 H 0.917 0.030 1 878 87 87 VAL C C 174.298 0.300 1 879 87 87 VAL CA C 62.955 0.300 1 880 87 87 VAL CB C 31.517 0.300 1 881 87 87 VAL CG1 C 22.535 0.300 2 882 87 87 VAL CG2 C 21.446 0.300 2 883 87 87 VAL N N 126.004 0.300 1 884 88 88 TYR H H 9.144 0.030 1 885 88 88 TYR HA H 5.093 0.030 1 886 88 88 TYR HB2 H 2.686 0.030 2 887 88 88 TYR HB3 H 2.316 0.030 2 888 88 88 TYR HE1 H 6.932 0.030 1 889 88 88 TYR HE2 H 6.932 0.030 1 890 88 88 TYR C C 173.547 0.300 1 891 88 88 TYR CA C 57.148 0.300 1 892 88 88 TYR CB C 44.462 0.300 1 893 88 88 TYR CE1 C 118.291 0.300 1 894 88 88 TYR CE2 C 118.291 0.300 1 895 88 88 TYR N N 127.038 0.300 1 896 89 89 ILE H H 8.773 0.030 1 897 89 89 ILE HA H 4.983 0.030 1 898 89 89 ILE HB H 1.699 0.030 1 899 89 89 ILE HD1 H 0.803 0.030 1 900 89 89 ILE HG12 H 1.389 0.030 2 901 89 89 ILE HG13 H 1.066 0.030 2 902 89 89 ILE HG2 H 0.811 0.030 1 903 89 89 ILE C C 176.557 0.300 1 904 89 89 ILE CA C 59.586 0.300 1 905 89 89 ILE CB C 39.168 0.300 1 906 89 89 ILE CD1 C 12.827 0.300 1 907 89 89 ILE CG1 C 27.613 0.300 1 908 89 89 ILE CG2 C 19.401 0.300 1 909 89 89 ILE N N 118.897 0.300 1 910 90 90 PHE H H 9.359 0.030 1 911 90 90 PHE HA H 5.562 0.030 1 912 90 90 PHE HB2 H 2.913 0.030 2 913 90 90 PHE HB3 H 2.729 0.030 2 914 90 90 PHE HD1 H 7.100 0.030 1 915 90 90 PHE HD2 H 7.100 0.030 1 916 90 90 PHE HE1 H 6.839 0.030 1 917 90 90 PHE HE2 H 6.839 0.030 1 918 90 90 PHE HZ H 6.557 0.030 1 919 90 90 PHE C C 176.018 0.300 1 920 90 90 PHE CA C 57.212 0.300 1 921 90 90 PHE CB C 43.960 0.300 1 922 90 90 PHE CD1 C 132.565 0.300 1 923 90 90 PHE CD2 C 132.565 0.300 1 924 90 90 PHE CE1 C 130.861 0.300 1 925 90 90 PHE CE2 C 130.861 0.300 1 926 90 90 PHE CZ C 128.208 0.300 1 927 90 90 PHE N N 124.299 0.300 1 928 91 91 ARG H H 9.268 0.030 1 929 91 91 ARG HA H 4.498 0.030 1 930 91 91 ARG HB2 H 1.755 0.030 1 931 91 91 ARG HB3 H 1.755 0.030 1 932 91 91 ARG HD2 H 3.080 0.030 2 933 91 91 ARG HD3 H 3.141 0.030 2 934 91 91 ARG HE H 8.006 0.030 1 935 91 91 ARG HG2 H 1.563 0.030 2 936 91 91 ARG C C 173.286 0.300 1 937 91 91 ARG CA C 55.683 0.300 1 938 91 91 ARG CB C 33.544 0.300 1 939 91 91 ARG CD C 43.220 0.300 1 940 91 91 ARG CG C 27.838 0.300 1 941 91 91 ARG N N 119.351 0.300 1 942 91 91 ARG NE N 84.562 0.300 1 943 92 92 VAL H H 8.568 0.030 1 944 92 92 VAL HA H 5.042 0.030 1 945 92 92 VAL HB H 1.289 0.030 1 946 92 92 VAL HG1 H -0.306 0.030 1 947 92 92 VAL HG2 H 0.469 0.030 1 948 92 92 VAL C C 174.219 0.300 1 949 92 92 VAL CA C 60.787 0.300 1 950 92 92 VAL CB C 33.892 0.300 1 951 92 92 VAL CG1 C 20.024 0.300 2 952 92 92 VAL CG2 C 21.841 0.300 2 953 92 92 VAL N N 121.193 0.300 1 954 93 93 MET H H 9.040 0.030 1 955 93 93 MET HA H 4.712 0.030 1 956 93 93 MET HB2 H 2.038 0.030 2 957 93 93 MET HB3 H 1.921 0.030 2 958 93 93 MET HE H 1.925 0.030 1 959 93 93 MET HG2 H 2.490 0.030 2 960 93 93 MET HG3 H 2.327 0.030 2 961 93 93 MET C C 173.694 0.300 1 962 93 93 MET CA C 54.669 0.300 1 963 93 93 MET CB C 38.056 0.300 1 964 93 93 MET CE C 17.579 0.300 1 965 93 93 MET CG C 31.449 0.300 1 966 93 93 MET N N 125.591 0.300 1 967 94 94 ALA H H 9.659 0.030 1 968 94 94 ALA HA H 4.949 0.030 1 969 94 94 ALA HB H 1.304 0.030 1 970 94 94 ALA C C 175.593 0.300 1 971 94 94 ALA CA C 50.295 0.300 1 972 94 94 ALA CB C 22.510 0.300 1 973 94 94 ALA N N 126.543 0.300 1 974 95 95 GLN H H 8.525 0.030 1 975 95 95 GLN HA H 4.938 0.030 1 976 95 95 GLN HB2 H 1.828 0.030 2 977 95 95 GLN HB3 H 1.791 0.030 2 978 95 95 GLN HE21 H 6.993 0.030 2 979 95 95 GLN HE22 H 6.624 0.030 2 980 95 95 GLN HG2 H 2.166 0.030 2 981 95 95 GLN HG3 H 2.051 0.030 2 982 95 95 GLN C C 175.054 0.300 1 983 95 95 GLN CA C 54.829 0.300 1 984 95 95 GLN CB C 30.848 0.300 1 985 95 95 GLN CG C 33.033 0.300 1 986 95 95 GLN N N 117.298 0.300 1 987 95 95 GLN NE2 N 109.714 0.300 1 988 96 96 ASN H H 8.365 0.030 1 989 96 96 ASN HA H 5.064 0.030 1 990 96 96 ASN HB2 H 3.502 0.030 2 991 96 96 ASN HB3 H 2.663 0.030 2 992 96 96 ASN HD21 H 7.831 0.030 2 993 96 96 ASN HD22 H 7.585 0.030 2 994 96 96 ASN C C 176.660 0.300 1 995 96 96 ASN CA C 50.476 0.300 1 996 96 96 ASN CB C 40.155 0.300 1 997 96 96 ASN N N 121.546 0.300 1 998 96 96 ASN ND2 N 110.091 0.300 1 999 97 97 LYS H H 8.104 0.030 1 1000 97 97 LYS HA H 3.998 0.030 1 1001 97 97 LYS HB2 H 1.469 0.030 2 1002 97 97 LYS HB3 H 1.617 0.030 2 1003 97 97 LYS HD2 H 1.510 0.030 1 1004 97 97 LYS HD3 H 1.510 0.030 1 1005 97 97 LYS HE2 H 2.858 0.030 1 1006 97 97 LYS HE3 H 2.858 0.030 1 1007 97 97 LYS HG2 H 0.647 0.030 2 1008 97 97 LYS HG3 H 1.054 0.030 2 1009 97 97 LYS C C 176.597 0.300 1 1010 97 97 LYS CA C 58.302 0.300 1 1011 97 97 LYS CB C 31.553 0.300 1 1012 97 97 LYS CD C 29.134 0.300 1 1013 97 97 LYS CE C 41.925 0.300 1 1014 97 97 LYS CG C 23.310 0.300 1 1015 97 97 LYS N N 115.620 0.300 1 1016 98 98 HIS H H 7.805 0.030 1 1017 98 98 HIS HA H 4.559 0.030 1 1018 98 98 HIS HB2 H 3.091 0.030 2 1019 98 98 HIS HB3 H 2.972 0.030 2 1020 98 98 HIS HD2 H 6.966 0.030 1 1021 98 98 HIS HE1 H 7.739 0.030 1 1022 98 98 HIS C C 175.431 0.300 1 1023 98 98 HIS CA C 56.380 0.300 1 1024 98 98 HIS CB C 30.551 0.300 1 1025 98 98 HIS CD2 C 121.912 0.300 1 1026 98 98 HIS CE1 C 138.605 0.300 1 1027 98 98 HIS N N 117.739 0.300 1 1028 99 99 GLY H H 7.758 0.030 1 1029 99 99 GLY HA2 H 4.434 0.030 2 1030 99 99 GLY HA3 H 3.867 0.030 2 1031 99 99 GLY C C 171.184 0.300 1 1032 99 99 GLY CA C 45.014 0.300 1 1033 99 99 GLY N N 107.486 0.300 1 1034 100 100 SER H H 8.220 0.030 1 1035 100 100 SER HA H 5.012 0.030 1 1036 100 100 SER HB2 H 4.053 0.030 2 1037 100 100 SER HB3 H 3.882 0.030 2 1038 100 100 SER C C 174.915 0.300 1 1039 100 100 SER CA C 57.728 0.300 1 1040 100 100 SER CB C 64.883 0.300 1 1041 100 100 SER N N 114.539 0.300 1 1042 101 101 GLY H H 8.640 0.030 1 1043 101 101 GLY HA2 H 4.377 0.030 2 1044 101 101 GLY HA3 H 4.182 0.030 2 1045 101 101 GLY C C 173.201 0.300 1 1046 101 101 GLY CA C 44.364 0.300 1 1047 101 101 GLY N N 109.722 0.300 1 1048 102 102 GLU H H 7.275 0.030 1 1049 102 102 GLU HA H 4.141 0.030 1 1050 102 102 GLU HB2 H 1.961 0.030 2 1051 102 102 GLU HB3 H 1.859 0.030 2 1052 102 102 GLU HG2 H 2.427 0.030 1 1053 102 102 GLU HG3 H 2.427 0.030 1 1054 102 102 GLU C C 177.240 0.300 1 1055 102 102 GLU CA C 55.985 0.300 1 1056 102 102 GLU CB C 31.581 0.300 1 1057 102 102 GLU CG C 36.241 0.300 1 1058 102 102 GLU N N 117.631 0.300 1 1059 103 103 SER H H 8.690 0.030 1 1060 103 103 SER HA H 4.829 0.030 1 1061 103 103 SER HB2 H 3.718 0.030 1 1062 103 103 SER HB3 H 3.718 0.030 1 1063 103 103 SER C C 175.864 0.300 1 1064 103 103 SER CA C 58.101 0.300 1 1065 103 103 SER CB C 64.804 0.300 1 1066 103 103 SER N N 116.744 0.300 1 1067 104 104 SER H H 9.199 0.030 1 1068 104 104 SER HA H 4.308 0.030 1 1069 104 104 SER HB2 H 4.384 0.030 2 1070 104 104 SER HB3 H 3.902 0.030 2 1071 104 104 SER C C 173.847 0.300 1 1072 104 104 SER CA C 59.192 0.300 1 1073 104 104 SER CB C 64.724 0.300 1 1074 104 104 SER N N 119.171 0.300 1 1075 105 105 ALA H H 8.676 0.030 1 1076 105 105 ALA HA H 4.562 0.030 1 1077 105 105 ALA HB H 1.480 0.030 1 1078 105 105 ALA C C 175.932 0.300 1 1079 105 105 ALA CA C 50.994 0.300 1 1080 105 105 ALA CB C 17.140 0.300 1 1081 105 105 ALA N N 125.120 0.300 1 1082 106 106 PRO HA H 4.545 0.030 1 1083 106 106 PRO HB2 H 2.034 0.030 2 1084 106 106 PRO HB3 H 1.804 0.030 2 1085 106 106 PRO HD2 H 3.843 0.030 2 1086 106 106 PRO HD3 H 3.692 0.030 2 1087 106 106 PRO HG2 H 1.915 0.030 2 1088 106 106 PRO HG3 H 2.143 0.030 2 1089 106 106 PRO C C 176.004 0.300 1 1090 106 106 PRO CA C 63.205 0.300 1 1091 106 106 PRO CB C 32.179 0.300 1 1092 106 106 PRO CD C 50.175 0.300 1 1093 106 106 PRO CG C 27.842 0.300 1 1094 107 107 LEU H H 9.241 0.030 1 1095 107 107 LEU HA H 4.757 0.030 1 1096 107 107 LEU HB2 H 1.880 0.030 2 1097 107 107 LEU HB3 H 1.524 0.030 2 1098 107 107 LEU HD1 H 1.040 0.030 1 1099 107 107 LEU HD2 H 0.712 0.030 1 1100 107 107 LEU HG H 1.442 0.030 1 1101 107 107 LEU C C 174.787 0.300 1 1102 107 107 LEU CA C 53.582 0.300 1 1103 107 107 LEU CB C 45.065 0.300 1 1104 107 107 LEU CD1 C 23.219 0.300 2 1105 107 107 LEU CD2 C 26.591 0.300 2 1106 107 107 LEU CG C 27.374 0.300 1 1107 107 107 LEU N N 127.228 0.300 1 1108 108 108 ARG H H 8.752 0.030 1 1109 108 108 ARG HA H 5.211 0.030 1 1110 108 108 ARG HB2 H 1.758 0.030 2 1111 108 108 ARG HB3 H 1.672 0.030 2 1112 108 108 ARG HD2 H 3.164 0.030 1 1113 108 108 ARG HD3 H 3.164 0.030 1 1114 108 108 ARG HG2 H 1.437 0.030 2 1115 108 108 ARG HG3 H 1.373 0.030 2 1116 108 108 ARG C C 176.167 0.300 1 1117 108 108 ARG CA C 55.405 0.300 1 1118 108 108 ARG CB C 31.786 0.300 1 1119 108 108 ARG CD C 43.457 0.300 1 1120 108 108 ARG CG C 28.225 0.300 1 1121 108 108 ARG N N 129.316 0.300 1 1122 109 109 VAL H H 9.619 0.030 1 1123 109 109 VAL HA H 4.371 0.030 1 1124 109 109 VAL HB H 2.179 0.030 1 1125 109 109 VAL HG1 H 0.968 0.030 1 1126 109 109 VAL HG2 H 0.938 0.030 1 1127 109 109 VAL C C 172.583 0.300 1 1128 109 109 VAL CA C 61.668 0.300 1 1129 109 109 VAL CB C 36.483 0.300 1 1130 109 109 VAL CG1 C 22.985 0.300 2 1131 109 109 VAL CG2 C 21.849 0.300 2 1132 109 109 VAL N N 127.706 0.300 1 1133 110 110 GLU H H 8.455 0.030 1 1134 110 110 GLU HA H 5.441 0.030 1 1135 110 110 GLU HB2 H 1.970 0.030 2 1136 110 110 GLU HB3 H 1.736 0.030 2 1137 110 110 GLU HG2 H 2.482 0.030 2 1138 110 110 GLU HG3 H 1.831 0.030 2 1139 110 110 GLU C C 177.004 0.300 1 1140 110 110 GLU CA C 53.430 0.300 1 1141 110 110 GLU CB C 32.695 0.300 1 1142 110 110 GLU CG C 35.952 0.300 1 1143 110 110 GLU N N 128.298 0.300 1 1144 111 111 THR H H 9.065 0.030 1 1145 111 111 THR HA H 4.135 0.030 1 1146 111 111 THR HB H 4.863 0.030 1 1147 111 111 THR HG2 H 1.168 0.030 1 1148 111 111 THR C C 175.877 0.300 1 1149 111 111 THR CA C 61.481 0.300 1 1150 111 111 THR CB C 69.723 0.300 1 1151 111 111 THR CG2 C 24.256 0.300 1 1152 111 111 THR N N 116.052 0.300 1 1153 112 112 GLN H H 7.614 0.030 1 1154 112 112 GLN HA H 4.329 0.030 1 1155 112 112 GLN HB2 H 2.124 0.030 2 1156 112 112 GLN HB3 H 1.432 0.030 2 1157 112 112 GLN HE21 H 7.307 0.030 2 1158 112 112 GLN HE22 H 6.812 0.030 2 1159 112 112 GLN HG2 H 2.325 0.030 2 1160 112 112 GLN C C 174.548 0.300 1 1161 112 112 GLN CA C 54.646 0.300 1 1162 112 112 GLN CB C 28.390 0.300 1 1163 112 112 GLN CG C 33.988 0.300 1 1164 112 112 GLN N N 118.492 0.300 1 1165 112 112 GLN NE2 N 111.388 0.300 1 1166 113 113 PRO HA H 4.636 0.030 1 1167 113 113 PRO HB2 H 2.266 0.030 2 1168 113 113 PRO HB3 H 1.965 0.030 2 1169 113 113 PRO HD2 H 3.651 0.030 2 1170 113 113 PRO HD3 H 3.793 0.030 2 1171 113 113 PRO HG2 H 2.056 0.030 2 1172 113 113 PRO HG3 H 1.991 0.030 2 1173 113 113 PRO C C 176.545 0.300 1 1174 113 113 PRO CA C 62.173 0.300 1 1175 113 113 PRO CB C 32.107 0.300 1 1176 113 113 PRO CD C 49.644 0.300 1 1177 113 113 PRO CG C 26.924 0.300 1 1178 114 114 GLU H H 8.715 0.030 1 1179 114 114 GLU HA H 4.429 0.030 1 1180 114 114 GLU HB2 H 2.085 0.030 2 1181 114 114 GLU HB3 H 1.855 0.030 2 1182 114 114 GLU HG2 H 2.286 0.030 1 1183 114 114 GLU HG3 H 2.286 0.030 1 1184 114 114 GLU C C 176.319 0.300 1 1185 114 114 GLU CA C 56.230 0.300 1 1186 114 114 GLU CB C 31.493 0.300 1 1187 114 114 GLU CG C 37.328 0.300 1 1188 114 114 GLU N N 120.110 0.300 1 1189 115 115 SER H H 8.415 0.030 1 1190 115 115 SER HA H 4.478 0.030 1 1191 115 115 SER HB2 H 3.872 0.030 2 1192 115 115 SER C C 174.480 0.300 1 1193 115 115 SER CA C 58.208 0.300 1 1194 115 115 SER CB C 63.984 0.300 1 1195 115 115 SER N N 117.782 0.300 1 1196 116 116 GLY H H 8.325 0.030 1 1197 116 116 GLY HA2 H 4.187 0.030 2 1198 116 116 GLY HA3 H 4.099 0.030 2 1199 116 116 GLY C C 171.780 0.300 1 1200 116 116 GLY CA C 44.663 0.300 1 1201 116 116 GLY N N 110.807 0.300 1 1202 117 117 PRO HA H 4.490 0.030 1 1203 117 117 PRO HB2 H 2.288 0.030 2 1204 117 117 PRO HD2 H 3.640 0.030 1 1205 117 117 PRO HD3 H 3.640 0.030 1 1206 117 117 PRO HG2 H 2.030 0.030 2 1207 117 117 PRO C C 177.397 0.300 1 1208 117 117 PRO CA C 63.239 0.300 1 1209 117 117 PRO CB C 32.190 0.300 1 1210 117 117 PRO CD C 49.769 0.300 1 1211 117 117 PRO CG C 27.196 0.300 1 1212 118 118 SER H H 8.541 0.030 1 1213 118 118 SER HA H 4.514 0.030 1 1214 118 118 SER HB2 H 3.911 0.030 2 1215 118 118 SER C C 174.726 0.300 1 1216 118 118 SER CA C 58.386 0.300 1 1217 118 118 SER CB C 64.134 0.300 1 1218 118 118 SER N N 116.520 0.300 1 1219 119 119 SER H H 8.347 0.030 1 1220 119 119 SER HA H 4.493 0.030 1 1221 119 119 SER HB2 H 3.911 0.030 2 1222 119 119 SER C C 173.946 0.300 1 1223 119 119 SER CA C 58.404 0.300 1 1224 119 119 SER CB C 64.157 0.300 1 1225 119 119 SER N N 117.990 0.300 1 1226 120 120 GLY H H 8.059 0.030 1 1227 120 120 GLY HA2 H 3.790 0.030 2 1228 120 120 GLY C C 179.015 0.300 1 1229 120 120 GLY CA C 46.198 0.300 1 1230 120 120 GLY N N 116.940 0.300 1 stop_ save_