data_10075 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The fourth FN3 domain of human sidekick-2 ; _BMRB_accession_number 10075 _BMRB_flat_file_name bmr10075.str _Entry_type original _Submission_date 2006-12-25 _Accession_date 2006-12-27 _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 Nagashima T. . . 2 Hayashi F. . . 3 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" 623 "13C chemical shifts" 479 "15N chemical shifts" 113 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-08-14 original author . stop_ _Original_release_date 2008-08-14 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'The fourth FN3 domain of human sidekick-2' _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 Nagashima T. . . 2 Hayashi F. . . 3 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 'sidekick 2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'sidekick 2' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state 'protein monomer' _System_paramagnetic no _System_thiol_state 'all free' _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 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 119 _Mol_residue_sequence ; GSSGSSGPQLVRTHEDVPGP VGHLSFSEILDTSLKVSWQE PGEKNGILTGYRISWEEYNR TNTRVTHYLPNVTLEYRVTG LTALTTYTIEVAAMTSKGQG QVSASTISSGVPPSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 PRO 9 GLN 10 LEU 11 VAL 12 ARG 13 THR 14 HIS 15 GLU 16 ASP 17 VAL 18 PRO 19 GLY 20 PRO 21 VAL 22 GLY 23 HIS 24 LEU 25 SER 26 PHE 27 SER 28 GLU 29 ILE 30 LEU 31 ASP 32 THR 33 SER 34 LEU 35 LYS 36 VAL 37 SER 38 TRP 39 GLN 40 GLU 41 PRO 42 GLY 43 GLU 44 LYS 45 ASN 46 GLY 47 ILE 48 LEU 49 THR 50 GLY 51 TYR 52 ARG 53 ILE 54 SER 55 TRP 56 GLU 57 GLU 58 TYR 59 ASN 60 ARG 61 THR 62 ASN 63 THR 64 ARG 65 VAL 66 THR 67 HIS 68 TYR 69 LEU 70 PRO 71 ASN 72 VAL 73 THR 74 LEU 75 GLU 76 TYR 77 ARG 78 VAL 79 THR 80 GLY 81 LEU 82 THR 83 ALA 84 LEU 85 THR 86 THR 87 TYR 88 THR 89 ILE 90 GLU 91 VAL 92 ALA 93 ALA 94 MET 95 THR 96 SER 97 LYS 98 GLY 99 GLN 100 GLY 101 GLN 102 VAL 103 SER 104 ALA 105 SER 106 THR 107 ILE 108 SER 109 SER 110 GLY 111 VAL 112 PRO 113 PRO 114 SER 115 GLY 116 PRO 117 SER 118 SER 119 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 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 1WFN "The Fourth Fn3 Domain Of Human Sidekick-2" 100.00 119 100.00 100.00 6.32e-78 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 P040223-46 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 1.21 mM '[U-13C; U-15N]' d-TRIS 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 VNMR _Version 6.1C loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20020425 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.8992 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 1.0.7 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 900 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_15N-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . 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 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS 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_ _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 'sidekick 2' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 8 8 PRO HA H 4.421 0.030 1 2 8 8 PRO HB2 H 2.271 0.030 2 3 8 8 PRO HB3 H 1.894 0.030 2 4 8 8 PRO HG2 H 2.014 0.030 1 5 8 8 PRO HG3 H 2.014 0.030 1 6 8 8 PRO HD2 H 3.631 0.030 1 7 8 8 PRO HD3 H 3.631 0.030 1 8 8 8 PRO C C 177.012 0.300 1 9 8 8 PRO CA C 63.212 0.300 1 10 8 8 PRO CB C 32.168 0.300 1 11 8 8 PRO CG C 27.250 0.300 1 12 8 8 PRO CD C 49.857 0.300 1 13 9 9 GLN H H 8.495 0.030 1 14 9 9 GLN HA H 4.307 0.030 1 15 9 9 GLN HB2 H 2.074 0.030 2 16 9 9 GLN HB3 H 1.961 0.030 2 17 9 9 GLN HG2 H 2.373 0.030 1 18 9 9 GLN HG3 H 2.373 0.030 1 19 9 9 GLN HE21 H 7.500 0.030 2 20 9 9 GLN HE22 H 6.867 0.030 2 21 9 9 GLN C C 175.794 0.300 1 22 9 9 GLN CA C 55.648 0.300 1 23 9 9 GLN CB C 29.451 0.300 1 24 9 9 GLN CG C 33.814 0.300 1 25 9 9 GLN N N 120.704 0.300 1 26 9 9 GLN NE2 N 112.915 0.300 1 27 10 10 LEU H H 8.268 0.030 1 28 10 10 LEU HA H 4.363 0.030 1 29 10 10 LEU HB2 H 1.615 0.030 2 30 10 10 LEU HB3 H 1.564 0.030 2 31 10 10 LEU HG H 1.572 0.030 1 32 10 10 LEU HD1 H 0.909 0.030 1 33 10 10 LEU HD2 H 0.855 0.030 1 34 10 10 LEU C C 177.013 0.300 1 35 10 10 LEU CA C 55.220 0.300 1 36 10 10 LEU CB C 42.405 0.300 1 37 10 10 LEU CG C 27.030 0.300 1 38 10 10 LEU CD1 C 24.840 0.300 2 39 10 10 LEU CD2 C 23.668 0.300 2 40 10 10 LEU N N 124.171 0.300 1 41 11 11 VAL H H 8.149 0.030 1 42 11 11 VAL HA H 4.091 0.030 1 43 11 11 VAL HB H 2.018 0.030 1 44 11 11 VAL HG1 H 0.897 0.030 1 45 11 11 VAL HG2 H 0.925 0.030 1 46 11 11 VAL C C 175.867 0.300 1 47 11 11 VAL CA C 62.248 0.300 1 48 11 11 VAL CB C 32.834 0.300 1 49 11 11 VAL CG1 C 21.163 0.300 2 50 11 11 VAL CG2 C 20.700 0.300 2 51 11 11 VAL N N 122.017 0.300 1 52 12 12 ARG H H 8.482 0.030 1 53 12 12 ARG HA H 4.442 0.030 1 54 12 12 ARG HB2 H 1.816 0.030 2 55 12 12 ARG HB3 H 1.728 0.030 2 56 12 12 ARG HG2 H 1.611 0.030 2 57 12 12 ARG HG3 H 1.567 0.030 2 58 12 12 ARG HD2 H 3.185 0.030 1 59 12 12 ARG HD3 H 3.185 0.030 1 60 12 12 ARG C C 176.250 0.300 1 61 12 12 ARG CA C 55.812 0.300 1 62 12 12 ARG CB C 31.012 0.300 1 63 12 12 ARG CG C 27.194 0.300 1 64 12 12 ARG CD C 43.387 0.300 1 65 12 12 ARG N N 125.694 0.300 1 66 13 13 THR H H 8.269 0.030 1 67 13 13 THR HA H 4.294 0.030 1 68 13 13 THR HB H 4.178 0.030 1 69 13 13 THR HG2 H 1.141 0.030 1 70 13 13 THR C C 174.197 0.300 1 71 13 13 THR CA C 61.872 0.300 1 72 13 13 THR CB C 69.838 0.300 1 73 13 13 THR CG2 C 21.638 0.300 1 74 13 13 THR N N 115.664 0.300 1 75 14 14 HIS H H 8.286 0.030 1 76 14 14 HIS HA H 4.620 0.030 1 77 14 14 HIS HB2 H 3.122 0.030 2 78 14 14 HIS HB3 H 3.052 0.030 2 79 14 14 HIS HD2 H 7.000 0.030 1 80 14 14 HIS C C 175.010 0.300 1 81 14 14 HIS CA C 56.351 0.300 1 82 14 14 HIS CB C 30.926 0.300 1 83 14 14 HIS CD2 C 120.064 0.300 1 84 14 14 HIS N N 121.055 0.300 1 85 15 15 GLU H H 8.282 0.030 1 86 15 15 GLU HA H 4.350 0.030 1 87 15 15 GLU HB2 H 2.054 0.030 2 88 15 15 GLU HB3 H 1.845 0.030 2 89 15 15 GLU HG2 H 2.243 0.030 2 90 15 15 GLU HG3 H 2.190 0.030 2 91 15 15 GLU C C 175.573 0.300 1 92 15 15 GLU CA C 56.415 0.300 1 93 15 15 GLU CB C 31.059 0.300 1 94 15 15 GLU CG C 36.699 0.300 1 95 15 15 GLU N N 121.513 0.300 1 96 16 16 ASP H H 8.624 0.030 1 97 16 16 ASP HA H 4.728 0.030 1 98 16 16 ASP HB2 H 2.684 0.030 2 99 16 16 ASP HB3 H 2.594 0.030 2 100 16 16 ASP C C 175.192 0.300 1 101 16 16 ASP CA C 53.727 0.300 1 102 16 16 ASP CB C 42.174 0.300 1 103 16 16 ASP N N 120.827 0.300 1 104 17 17 VAL H H 8.002 0.030 1 105 17 17 VAL HA H 4.581 0.030 1 106 17 17 VAL HB H 1.893 0.030 1 107 17 17 VAL HG1 H 0.658 0.030 1 108 17 17 VAL HG2 H 0.847 0.030 1 109 17 17 VAL C C 174.024 0.300 1 110 17 17 VAL CA C 58.891 0.300 1 111 17 17 VAL CB C 32.109 0.300 1 112 17 17 VAL CG1 C 21.653 0.300 2 113 17 17 VAL CG2 C 18.087 0.300 2 114 17 17 VAL N N 113.973 0.300 1 115 18 18 PRO HA H 4.427 0.030 1 116 18 18 PRO HB2 H 2.379 0.030 2 117 18 18 PRO HB3 H 2.116 0.030 2 118 18 18 PRO HG2 H 2.037 0.030 2 119 18 18 PRO HG3 H 1.625 0.030 2 120 18 18 PRO HD2 H 3.872 0.030 2 121 18 18 PRO HD3 H 3.360 0.030 2 122 18 18 PRO C C 177.055 0.300 1 123 18 18 PRO CA C 63.655 0.300 1 124 18 18 PRO CB C 33.427 0.300 1 125 18 18 PRO CG C 27.543 0.300 1 126 18 18 PRO CD C 50.385 0.300 1 127 19 19 GLY H H 8.647 0.030 1 128 19 19 GLY HA2 H 4.265 0.030 2 129 19 19 GLY HA3 H 4.087 0.030 2 130 19 19 GLY CA C 44.818 0.300 1 131 19 19 GLY N N 106.192 0.300 1 132 20 20 PRO HA H 4.549 0.030 1 133 20 20 PRO HB2 H 2.053 0.030 2 134 20 20 PRO HB3 H 1.959 0.030 2 135 20 20 PRO HG2 H 2.028 0.030 1 136 20 20 PRO HG3 H 2.028 0.030 1 137 20 20 PRO HD2 H 3.722 0.030 2 138 20 20 PRO HD3 H 3.455 0.030 2 139 20 20 PRO C C 178.544 0.300 1 140 20 20 PRO CA C 62.273 0.300 1 141 20 20 PRO CB C 32.209 0.300 1 142 20 20 PRO CG C 27.112 0.300 1 143 20 20 PRO CD C 49.065 0.300 1 144 21 21 VAL H H 8.712 0.030 1 145 21 21 VAL HA H 4.081 0.030 1 146 21 21 VAL HB H 2.951 0.030 1 147 21 21 VAL HG1 H 1.040 0.030 1 148 21 21 VAL HG2 H 0.654 0.030 1 149 21 21 VAL C C 176.017 0.300 1 150 21 21 VAL CA C 62.291 0.300 1 151 21 21 VAL CB C 31.161 0.300 1 152 21 21 VAL CG1 C 22.609 0.300 2 153 21 21 VAL CG2 C 17.582 0.300 2 154 21 21 VAL N N 113.303 0.300 1 155 22 22 GLY H H 7.906 0.030 1 156 22 22 GLY HA2 H 4.049 0.030 2 157 22 22 GLY HA3 H 3.927 0.030 2 158 22 22 GLY C C 173.110 0.300 1 159 22 22 GLY CA C 44.683 0.300 1 160 22 22 GLY N N 108.218 0.300 1 161 23 23 HIS H H 8.432 0.030 1 162 23 23 HIS HA H 4.200 0.030 1 163 23 23 HIS HB2 H 3.067 0.030 2 164 23 23 HIS HB3 H 2.875 0.030 2 165 23 23 HIS HD2 H 6.933 0.030 1 166 23 23 HIS C C 175.002 0.300 1 167 23 23 HIS CA C 56.745 0.300 1 168 23 23 HIS CB C 29.885 0.300 1 169 23 23 HIS CD2 C 119.966 0.300 1 170 23 23 HIS N N 118.279 0.300 1 171 24 24 LEU H H 8.172 0.030 1 172 24 24 LEU HA H 4.651 0.030 1 173 24 24 LEU HB2 H 1.299 0.030 2 174 24 24 LEU HB3 H 1.250 0.030 2 175 24 24 LEU HG H 1.415 0.030 1 176 24 24 LEU HD1 H 0.764 0.030 1 177 24 24 LEU HD2 H 0.685 0.030 1 178 24 24 LEU C C 176.677 0.300 1 179 24 24 LEU CA C 55.498 0.300 1 180 24 24 LEU CB C 42.347 0.300 1 181 24 24 LEU CG C 26.936 0.300 1 182 24 24 LEU CD1 C 25.241 0.300 2 183 24 24 LEU CD2 C 24.611 0.300 2 184 24 24 LEU N N 123.982 0.300 1 185 25 25 SER H H 8.838 0.030 1 186 25 25 SER HA H 4.625 0.030 1 187 25 25 SER HB2 H 3.649 0.030 2 188 25 25 SER HB3 H 3.597 0.030 2 189 25 25 SER C C 172.077 0.300 1 190 25 25 SER CA C 57.305 0.300 1 191 25 25 SER CB C 65.544 0.300 1 192 25 25 SER N N 120.340 0.300 1 193 26 26 PHE H H 8.646 0.030 1 194 26 26 PHE HA H 5.812 0.030 1 195 26 26 PHE HB2 H 2.967 0.030 2 196 26 26 PHE HB3 H 2.915 0.030 2 197 26 26 PHE HD1 H 7.273 0.030 1 198 26 26 PHE HD2 H 7.273 0.030 1 199 26 26 PHE HE1 H 7.190 0.030 1 200 26 26 PHE HE2 H 7.190 0.030 1 201 26 26 PHE HZ H 6.958 0.030 1 202 26 26 PHE C C 175.352 0.300 1 203 26 26 PHE CA C 55.956 0.300 1 204 26 26 PHE CB C 42.272 0.300 1 205 26 26 PHE CD1 C 132.162 0.300 1 206 26 26 PHE CD2 C 132.162 0.300 1 207 26 26 PHE CE1 C 130.790 0.300 1 208 26 26 PHE CE2 C 130.790 0.300 1 209 26 26 PHE CZ C 128.415 0.300 1 210 26 26 PHE N N 122.044 0.300 1 211 27 27 SER H H 9.395 0.030 1 212 27 27 SER HA H 4.717 0.030 1 213 27 27 SER HB2 H 3.963 0.030 2 214 27 27 SER HB3 H 3.919 0.030 2 215 27 27 SER C C 171.358 0.300 1 216 27 27 SER CA C 57.334 0.300 1 217 27 27 SER CB C 65.854 0.300 1 218 27 27 SER N N 116.552 0.300 1 219 28 28 GLU H H 8.977 0.030 1 220 28 28 GLU HA H 3.746 0.030 1 221 28 28 GLU HB2 H 1.966 0.030 2 222 28 28 GLU HB3 H 1.908 0.030 2 223 28 28 GLU HG2 H 2.173 0.030 1 224 28 28 GLU HG3 H 2.173 0.030 1 225 28 28 GLU C C 174.780 0.300 1 226 28 28 GLU CA C 56.481 0.300 1 227 28 28 GLU CB C 27.179 0.300 1 228 28 28 GLU CG C 36.323 0.300 1 229 28 28 GLU N N 116.625 0.300 1 230 29 29 ILE H H 8.158 0.030 1 231 29 29 ILE HA H 3.826 0.030 1 232 29 29 ILE HB H 1.837 0.030 1 233 29 29 ILE HG12 H 1.467 0.030 2 234 29 29 ILE HG13 H 0.932 0.030 2 235 29 29 ILE HG2 H 0.940 0.030 1 236 29 29 ILE HD1 H 0.890 0.030 1 237 29 29 ILE C C 176.118 0.300 1 238 29 29 ILE CA C 63.635 0.300 1 239 29 29 ILE CB C 37.288 0.300 1 240 29 29 ILE CG1 C 27.996 0.300 1 241 29 29 ILE CG2 C 18.184 0.300 1 242 29 29 ILE CD1 C 14.207 0.300 1 243 29 29 ILE N N 117.230 0.300 1 244 30 30 LEU H H 8.880 0.030 1 245 30 30 LEU HA H 4.921 0.030 1 246 30 30 LEU HB2 H 1.914 0.030 2 247 30 30 LEU HB3 H 1.708 0.030 2 248 30 30 LEU HG H 1.538 0.030 1 249 30 30 LEU HD1 H 0.842 0.030 1 250 30 30 LEU HD2 H 0.887 0.030 1 251 30 30 LEU C C 175.623 0.300 1 252 30 30 LEU CA C 53.151 0.300 1 253 30 30 LEU CB C 43.504 0.300 1 254 30 30 LEU CG C 27.165 0.300 1 255 30 30 LEU CD1 C 25.528 0.300 2 256 30 30 LEU CD2 C 22.684 0.300 2 257 30 30 LEU N N 133.364 0.300 1 258 31 31 ASP H H 9.253 0.030 1 259 31 31 ASP HA H 4.198 0.030 1 260 31 31 ASP HB2 H 2.518 0.030 2 261 31 31 ASP HB3 H 2.313 0.030 2 262 31 31 ASP C C 176.114 0.300 1 263 31 31 ASP CA C 56.376 0.300 1 264 31 31 ASP CB C 39.371 0.300 1 265 31 31 ASP N N 117.211 0.300 1 266 32 32 THR H H 7.037 0.030 1 267 32 32 THR HA H 4.475 0.030 1 268 32 32 THR HB H 4.602 0.030 1 269 32 32 THR HG2 H 1.118 0.030 1 270 32 32 THR C C 174.591 0.300 1 271 32 32 THR CA C 59.492 0.300 1 272 32 32 THR CB C 70.828 0.300 1 273 32 32 THR CG2 C 20.668 0.300 1 274 32 32 THR N N 98.709 0.300 1 275 33 33 SER H H 7.218 0.030 1 276 33 33 SER HA H 5.072 0.030 1 277 33 33 SER HB2 H 3.827 0.030 2 278 33 33 SER HB3 H 3.717 0.030 2 279 33 33 SER C C 170.686 0.300 1 280 33 33 SER CA C 56.622 0.300 1 281 33 33 SER CB C 66.808 0.300 1 282 33 33 SER N N 113.926 0.300 1 283 34 34 LEU H H 8.309 0.030 1 284 34 34 LEU HA H 4.882 0.030 1 285 34 34 LEU HB2 H 2.148 0.030 2 286 34 34 LEU HB3 H 1.386 0.030 2 287 34 34 LEU HG H 1.309 0.030 1 288 34 34 LEU HD1 H 0.363 0.030 1 289 34 34 LEU HD2 H 0.634 0.030 1 290 34 34 LEU C C 173.437 0.300 1 291 34 34 LEU CA C 54.922 0.300 1 292 34 34 LEU CB C 44.632 0.300 1 293 34 34 LEU CG C 25.210 0.300 1 294 34 34 LEU CD1 C 27.968 0.300 2 295 34 34 LEU CD2 C 26.024 0.300 2 296 34 34 LEU N N 112.562 0.300 1 297 35 35 LYS H H 8.798 0.030 1 298 35 35 LYS HA H 4.911 0.030 1 299 35 35 LYS HB2 H 1.793 0.030 2 300 35 35 LYS HB3 H 1.305 0.030 2 301 35 35 LYS HG2 H 1.032 0.030 2 302 35 35 LYS HG3 H 0.974 0.030 2 303 35 35 LYS HD2 H 1.347 0.030 2 304 35 35 LYS HD3 H 1.315 0.030 2 305 35 35 LYS HE2 H 2.537 0.030 1 306 35 35 LYS HE3 H 2.537 0.030 1 307 35 35 LYS C C 174.100 0.300 1 308 35 35 LYS CA C 55.742 0.300 1 309 35 35 LYS CB C 34.367 0.300 1 310 35 35 LYS CG C 25.706 0.300 1 311 35 35 LYS CD C 29.127 0.300 1 312 35 35 LYS CE C 41.935 0.300 1 313 35 35 LYS N N 121.677 0.300 1 314 36 36 VAL H H 8.916 0.030 1 315 36 36 VAL HA H 4.917 0.030 1 316 36 36 VAL HB H 2.153 0.030 1 317 36 36 VAL HG1 H 1.048 0.030 1 318 36 36 VAL HG2 H 1.129 0.030 1 319 36 36 VAL C C 173.922 0.300 1 320 36 36 VAL CA C 59.879 0.300 1 321 36 36 VAL CB C 34.525 0.300 1 322 36 36 VAL CG1 C 23.252 0.300 2 323 36 36 VAL CG2 C 21.865 0.300 2 324 36 36 VAL N N 128.169 0.300 1 325 37 37 SER H H 8.861 0.030 1 326 37 37 SER HA H 4.955 0.030 1 327 37 37 SER HB2 H 3.626 0.030 1 328 37 37 SER HB3 H 3.626 0.030 1 329 37 37 SER C C 172.188 0.300 1 330 37 37 SER CA C 57.645 0.300 1 331 37 37 SER CB C 66.056 0.300 1 332 37 37 SER N N 119.890 0.300 1 333 38 38 TRP H H 7.892 0.030 1 334 38 38 TRP HA H 4.935 0.030 1 335 38 38 TRP HB2 H 3.285 0.030 2 336 38 38 TRP HB3 H 2.982 0.030 2 337 38 38 TRP HD1 H 6.525 0.030 1 338 38 38 TRP HE1 H 6.204 0.030 1 339 38 38 TRP HE3 H 6.832 0.030 1 340 38 38 TRP HZ2 H 6.662 0.030 1 341 38 38 TRP HZ3 H 6.509 0.030 1 342 38 38 TRP HH2 H 6.407 0.030 1 343 38 38 TRP C C 172.620 0.300 1 344 38 38 TRP CA C 56.635 0.300 1 345 38 38 TRP CB C 30.145 0.300 1 346 38 38 TRP CD1 C 125.597 0.300 1 347 38 38 TRP CE3 C 119.962 0.300 1 348 38 38 TRP CZ2 C 114.022 0.300 1 349 38 38 TRP CZ3 C 120.834 0.300 1 350 38 38 TRP CH2 C 122.604 0.300 1 351 38 38 TRP N N 119.188 0.300 1 352 38 38 TRP NE1 N 125.735 0.300 1 353 39 39 GLN H H 8.404 0.030 1 354 39 39 GLN HA H 4.662 0.030 1 355 39 39 GLN HB2 H 2.173 0.030 2 356 39 39 GLN HB3 H 1.768 0.030 2 357 39 39 GLN HG2 H 2.365 0.030 1 358 39 39 GLN HG3 H 2.365 0.030 1 359 39 39 GLN HE21 H 7.567 0.030 2 360 39 39 GLN HE22 H 6.799 0.030 2 361 39 39 GLN C C 175.464 0.300 1 362 39 39 GLN CA C 53.476 0.300 1 363 39 39 GLN CB C 31.910 0.300 1 364 39 39 GLN CG C 34.057 0.300 1 365 39 39 GLN N N 114.968 0.300 1 366 39 39 GLN NE2 N 112.342 0.300 1 367 40 40 GLU H H 8.582 0.030 1 368 40 40 GLU HA H 4.772 0.030 1 369 40 40 GLU HB2 H 2.068 0.030 2 370 40 40 GLU HB3 H 1.973 0.030 2 371 40 40 GLU HG2 H 2.410 0.030 1 372 40 40 GLU HG3 H 2.410 0.030 1 373 40 40 GLU C C 175.090 0.300 1 374 40 40 GLU CA C 55.011 0.300 1 375 40 40 GLU CB C 29.997 0.300 1 376 40 40 GLU CG C 36.535 0.300 1 377 40 40 GLU N N 121.337 0.300 1 378 41 41 PRO HA H 4.402 0.030 1 379 41 41 PRO HB2 H 2.090 0.030 2 380 41 41 PRO HB3 H 1.611 0.030 2 381 41 41 PRO HG2 H 1.948 0.030 2 382 41 41 PRO HG3 H 1.850 0.030 2 383 41 41 PRO HD2 H 4.180 0.030 2 384 41 41 PRO HD3 H 3.843 0.030 2 385 41 41 PRO C C 176.636 0.300 1 386 41 41 PRO CA C 63.186 0.300 1 387 41 41 PRO CB C 32.411 0.300 1 388 41 41 PRO CG C 28.338 0.300 1 389 41 41 PRO CD C 51.078 0.300 1 390 42 42 GLY H H 8.459 0.030 1 391 42 42 GLY HA2 H 3.941 0.030 2 392 42 42 GLY HA3 H 3.863 0.030 2 393 42 42 GLY C C 174.722 0.300 1 394 42 42 GLY CA C 46.267 0.300 1 395 42 42 GLY N N 111.036 0.300 1 396 43 43 GLU H H 8.071 0.030 1 397 43 43 GLU HA H 4.540 0.030 1 398 43 43 GLU HB2 H 1.970 0.030 2 399 43 43 GLU HB3 H 1.936 0.030 2 400 43 43 GLU HG2 H 2.200 0.030 1 401 43 43 GLU HG3 H 2.200 0.030 1 402 43 43 GLU C C 174.707 0.300 1 403 43 43 GLU CA C 54.761 0.300 1 404 43 43 GLU CB C 29.740 0.300 1 405 43 43 GLU CG C 35.949 0.300 1 406 43 43 GLU N N 120.680 0.300 1 407 44 44 LYS H H 8.403 0.030 1 408 44 44 LYS HA H 3.912 0.030 1 409 44 44 LYS HB2 H 2.016 0.030 2 410 44 44 LYS HB3 H 1.782 0.030 2 411 44 44 LYS HG2 H 1.545 0.030 2 412 44 44 LYS HG3 H 1.261 0.030 2 413 44 44 LYS HD2 H 1.836 0.030 2 414 44 44 LYS HD3 H 1.741 0.030 2 415 44 44 LYS HE2 H 3.065 0.030 2 416 44 44 LYS HE3 H 3.026 0.030 2 417 44 44 LYS C C 174.774 0.300 1 418 44 44 LYS CA C 59.216 0.300 1 419 44 44 LYS CB C 33.297 0.300 1 420 44 44 LYS CG C 26.635 0.300 1 421 44 44 LYS CD C 29.439 0.300 1 422 44 44 LYS CE C 42.473 0.300 1 423 44 44 LYS N N 124.271 0.300 1 424 45 45 ASN H H 8.054 0.030 1 425 45 45 ASN HA H 4.277 0.030 1 426 45 45 ASN HB2 H 2.692 0.030 2 427 45 45 ASN HB3 H 2.495 0.030 2 428 45 45 ASN HD21 H 7.622 0.030 2 429 45 45 ASN HD22 H 7.245 0.030 2 430 45 45 ASN C C 173.715 0.300 1 431 45 45 ASN CA C 53.973 0.300 1 432 45 45 ASN CB C 37.113 0.300 1 433 45 45 ASN N N 108.693 0.300 1 434 45 45 ASN ND2 N 115.494 0.300 1 435 46 46 GLY H H 7.482 0.030 1 436 46 46 GLY HA2 H 4.212 0.030 2 437 46 46 GLY HA3 H 3.786 0.030 2 438 46 46 GLY C C 172.175 0.300 1 439 46 46 GLY CA C 44.246 0.300 1 440 46 46 GLY N N 103.908 0.300 1 441 47 47 ILE H H 8.270 0.030 1 442 47 47 ILE HA H 4.089 0.030 1 443 47 47 ILE HB H 1.790 0.030 1 444 47 47 ILE HG12 H 1.543 0.030 2 445 47 47 ILE HG13 H 1.212 0.030 2 446 47 47 ILE HG2 H 0.853 0.030 1 447 47 47 ILE HD1 H 0.854 0.030 1 448 47 47 ILE C C 176.723 0.300 1 449 47 47 ILE CA C 60.204 0.300 1 450 47 47 ILE CB C 38.293 0.300 1 451 47 47 ILE CG1 C 27.543 0.300 1 452 47 47 ILE CG2 C 17.178 0.300 1 453 47 47 ILE CD1 C 12.279 0.300 1 454 47 47 ILE N N 120.537 0.300 1 455 48 48 LEU H H 8.696 0.030 1 456 48 48 LEU HA H 4.717 0.030 1 457 48 48 LEU HB2 H 1.851 0.030 2 458 48 48 LEU HB3 H 1.397 0.030 2 459 48 48 LEU HG H 1.794 0.030 1 460 48 48 LEU HD1 H 0.999 0.030 1 461 48 48 LEU HD2 H 0.792 0.030 1 462 48 48 LEU C C 178.644 0.300 1 463 48 48 LEU CA C 55.231 0.300 1 464 48 48 LEU CB C 41.942 0.300 1 465 48 48 LEU CG C 27.257 0.300 1 466 48 48 LEU CD1 C 26.662 0.300 2 467 48 48 LEU CD2 C 24.110 0.300 2 468 48 48 LEU N N 127.330 0.300 1 469 49 49 THR H H 9.209 0.030 1 470 49 49 THR HA H 4.427 0.030 1 471 49 49 THR HB H 4.258 0.030 1 472 49 49 THR HG2 H 1.091 0.030 1 473 49 49 THR C C 175.772 0.300 1 474 49 49 THR CA C 61.439 0.300 1 475 49 49 THR CB C 68.589 0.300 1 476 49 49 THR CG2 C 22.650 0.300 1 477 49 49 THR N N 114.128 0.300 1 478 50 50 GLY H H 7.199 0.030 1 479 50 50 GLY HA2 H 4.616 0.030 2 480 50 50 GLY HA3 H 3.529 0.030 2 481 50 50 GLY C C 169.575 0.300 1 482 50 50 GLY CA C 45.105 0.300 1 483 50 50 GLY N N 107.831 0.300 1 484 51 51 TYR H H 8.450 0.030 1 485 51 51 TYR HA H 5.152 0.030 1 486 51 51 TYR HB2 H 2.615 0.030 2 487 51 51 TYR HB3 H 2.562 0.030 2 488 51 51 TYR HD1 H 7.030 0.030 1 489 51 51 TYR HD2 H 7.030 0.030 1 490 51 51 TYR HE1 H 6.771 0.030 1 491 51 51 TYR HE2 H 6.771 0.030 1 492 51 51 TYR C C 173.451 0.300 1 493 51 51 TYR CA C 57.252 0.300 1 494 51 51 TYR CB C 43.504 0.300 1 495 51 51 TYR CD1 C 132.855 0.300 1 496 51 51 TYR CD2 C 132.855 0.300 1 497 51 51 TYR CE1 C 117.915 0.300 1 498 51 51 TYR CE2 C 117.915 0.300 1 499 51 51 TYR N N 114.552 0.300 1 500 52 52 ARG H H 9.511 0.030 1 501 52 52 ARG HA H 4.757 0.030 1 502 52 52 ARG HB2 H 1.658 0.030 2 503 52 52 ARG HB3 H 1.628 0.030 2 504 52 52 ARG HG2 H 1.148 0.030 2 505 52 52 ARG HG3 H 1.057 0.030 2 506 52 52 ARG HD2 H 2.910 0.030 2 507 52 52 ARG HD3 H 2.794 0.030 2 508 52 52 ARG HE H 7.274 0.030 1 509 52 52 ARG C C 173.999 0.300 1 510 52 52 ARG CA C 54.809 0.300 1 511 52 52 ARG CB C 31.627 0.300 1 512 52 52 ARG CG C 26.449 0.300 1 513 52 52 ARG CD C 42.893 0.300 1 514 52 52 ARG N N 123.844 0.300 1 515 52 52 ARG NE N 82.834 0.300 1 516 53 53 ILE H H 8.875 0.030 1 517 53 53 ILE HA H 5.551 0.030 1 518 53 53 ILE HB H 1.264 0.030 1 519 53 53 ILE HG12 H 1.860 0.030 2 520 53 53 ILE HG13 H 1.100 0.030 2 521 53 53 ILE HG2 H 0.747 0.030 1 522 53 53 ILE HD1 H 0.824 0.030 1 523 53 53 ILE C C 172.627 0.300 1 524 53 53 ILE CA C 57.895 0.300 1 525 53 53 ILE CB C 41.653 0.300 1 526 53 53 ILE CG1 C 29.180 0.300 1 527 53 53 ILE CG2 C 15.840 0.300 1 528 53 53 ILE CD1 C 14.752 0.300 1 529 53 53 ILE N N 125.357 0.300 1 530 54 54 SER H H 9.237 0.030 1 531 54 54 SER HA H 5.870 0.030 1 532 54 54 SER HB2 H 3.546 0.030 2 533 54 54 SER HB3 H 3.330 0.030 2 534 54 54 SER C C 172.781 0.300 1 535 54 54 SER CA C 56.638 0.300 1 536 54 54 SER CB C 67.531 0.300 1 537 54 54 SER N N 120.524 0.300 1 538 55 55 TRP H H 8.655 0.030 1 539 55 55 TRP HA H 6.029 0.030 1 540 55 55 TRP HB2 H 3.478 0.030 2 541 55 55 TRP HB3 H 2.854 0.030 2 542 55 55 TRP HD1 H 6.675 0.030 1 543 55 55 TRP HE1 H 10.236 0.030 1 544 55 55 TRP HE3 H 7.186 0.030 1 545 55 55 TRP HZ2 H 7.661 0.030 1 546 55 55 TRP HZ3 H 6.792 0.030 1 547 55 55 TRP HH2 H 7.213 0.030 1 548 55 55 TRP C C 173.452 0.300 1 549 55 55 TRP CA C 56.127 0.300 1 550 55 55 TRP CB C 33.529 0.300 1 551 55 55 TRP CD1 C 125.997 0.300 1 552 55 55 TRP CE3 C 121.010 0.300 1 553 55 55 TRP CZ2 C 115.205 0.300 1 554 55 55 TRP CZ3 C 121.022 0.300 1 555 55 55 TRP CH2 C 123.998 0.300 1 556 55 55 TRP N N 118.665 0.300 1 557 55 55 TRP NE1 N 129.837 0.300 1 558 56 56 GLU H H 8.561 0.030 1 559 56 56 GLU HA H 4.870 0.030 1 560 56 56 GLU HB2 H 1.933 0.030 2 561 56 56 GLU HB3 H 1.841 0.030 2 562 56 56 GLU HG2 H 2.195 0.030 2 563 56 56 GLU HG3 H 2.026 0.030 2 564 56 56 GLU C C 175.450 0.300 1 565 56 56 GLU CA C 53.684 0.300 1 566 56 56 GLU CB C 32.675 0.300 1 567 56 56 GLU CG C 34.285 0.300 1 568 56 56 GLU N N 115.987 0.300 1 569 57 57 GLU H H 8.812 0.030 1 570 57 57 GLU HA H 3.923 0.030 1 571 57 57 GLU HB2 H 1.951 0.030 2 572 57 57 GLU HB3 H 1.886 0.030 2 573 57 57 GLU HG2 H 2.385 0.030 2 574 57 57 GLU HG3 H 2.042 0.030 2 575 57 57 GLU C C 176.879 0.300 1 576 57 57 GLU CA C 57.334 0.300 1 577 57 57 GLU CB C 29.325 0.300 1 578 57 57 GLU CG C 36.851 0.300 1 579 57 57 GLU N N 124.727 0.300 1 580 58 58 TYR H H 8.417 0.030 1 581 58 58 TYR HA H 4.088 0.030 1 582 58 58 TYR HB2 H 2.615 0.030 2 583 58 58 TYR HB3 H 2.562 0.030 2 584 58 58 TYR HD1 H 6.989 0.030 1 585 58 58 TYR HD2 H 6.989 0.030 1 586 58 58 TYR HE1 H 6.779 0.030 1 587 58 58 TYR HE2 H 6.779 0.030 1 588 58 58 TYR C C 176.075 0.300 1 589 58 58 TYR CA C 59.517 0.300 1 590 58 58 TYR CB C 38.906 0.300 1 591 58 58 TYR CD1 C 133.023 0.300 1 592 58 58 TYR CD2 C 133.023 0.300 1 593 58 58 TYR CE1 C 118.342 0.300 1 594 58 58 TYR CE2 C 118.342 0.300 1 595 58 58 TYR N N 124.419 0.300 1 596 59 59 ASN H H 8.978 0.030 1 597 59 59 ASN HA H 4.118 0.030 1 598 59 59 ASN HB2 H 2.922 0.030 2 599 59 59 ASN HB3 H 2.234 0.030 2 600 59 59 ASN HD21 H 7.269 0.030 2 601 59 59 ASN HD22 H 6.541 0.030 2 602 59 59 ASN C C 175.124 0.300 1 603 59 59 ASN CA C 53.603 0.300 1 604 59 59 ASN CB C 37.865 0.300 1 605 59 59 ASN N N 121.321 0.300 1 606 59 59 ASN ND2 N 110.738 0.300 1 607 60 60 ARG H H 8.197 0.030 1 608 60 60 ARG HA H 4.772 0.030 1 609 60 60 ARG HB2 H 1.763 0.030 2 610 60 60 ARG HB3 H 1.646 0.030 2 611 60 60 ARG HG2 H 1.568 0.030 2 612 60 60 ARG HG3 H 1.507 0.030 2 613 60 60 ARG HD2 H 3.226 0.030 2 614 60 60 ARG HD3 H 3.151 0.030 2 615 60 60 ARG C C 176.649 0.300 1 616 60 60 ARG CA C 54.374 0.300 1 617 60 60 ARG CB C 30.921 0.300 1 618 60 60 ARG CG C 26.403 0.300 1 619 60 60 ARG CD C 43.688 0.300 1 620 60 60 ARG N N 119.697 0.300 1 621 61 61 THR H H 8.608 0.030 1 622 61 61 THR HA H 4.063 0.030 1 623 61 61 THR HB H 4.128 0.030 1 624 61 61 THR HG2 H 1.215 0.030 1 625 61 61 THR C C 175.514 0.300 1 626 61 61 THR CA C 64.907 0.300 1 627 61 61 THR CB C 69.059 0.300 1 628 61 61 THR CG2 C 21.584 0.300 1 629 62 62 ASN H H 8.780 0.030 1 630 62 62 ASN HA H 4.582 0.030 1 631 62 62 ASN HB2 H 2.943 0.030 2 632 62 62 ASN HB3 H 2.872 0.030 2 633 62 62 ASN HD21 H 7.645 0.030 2 634 62 62 ASN HD22 H 6.812 0.030 2 635 62 62 ASN C C 175.869 0.300 1 636 62 62 ASN CA C 55.016 0.300 1 637 62 62 ASN CB C 36.902 0.300 1 638 62 62 ASN N N 117.831 0.300 1 639 62 62 ASN ND2 N 113.179 0.300 1 640 63 63 THR H H 7.965 0.030 1 641 63 63 THR HA H 4.514 0.030 1 642 63 63 THR HB H 4.700 0.030 1 643 63 63 THR HG2 H 1.197 0.030 1 644 63 63 THR C C 174.552 0.300 1 645 63 63 THR CA C 61.732 0.300 1 646 63 63 THR CB C 71.377 0.300 1 647 63 63 THR CG2 C 21.773 0.300 1 648 63 63 THR N N 108.898 0.300 1 649 64 64 ARG H H 7.434 0.030 1 650 64 64 ARG HA H 4.683 0.030 1 651 64 64 ARG HB2 H 2.114 0.030 2 652 64 64 ARG HB3 H 1.643 0.030 2 653 64 64 ARG HG2 H 1.316 0.030 2 654 64 64 ARG HG3 H 1.254 0.030 2 655 64 64 ARG HD2 H 3.024 0.030 2 656 64 64 ARG HD3 H 2.999 0.030 2 657 64 64 ARG HE H 7.136 0.030 1 658 64 64 ARG C C 175.778 0.300 1 659 64 64 ARG CA C 57.308 0.300 1 660 64 64 ARG CB C 31.399 0.300 1 661 64 64 ARG CG C 27.495 0.300 1 662 64 64 ARG CD C 43.394 0.300 1 663 64 64 ARG N N 123.980 0.300 1 664 64 64 ARG NE N 84.104 0.300 1 665 65 65 VAL H H 8.703 0.030 1 666 65 65 VAL HA H 3.860 0.030 1 667 65 65 VAL HB H 0.297 0.030 1 668 65 65 VAL HG1 H 0.378 0.030 1 669 65 65 VAL HG2 H 0.650 0.030 1 670 65 65 VAL C C 173.743 0.300 1 671 65 65 VAL CA C 61.400 0.300 1 672 65 65 VAL CB C 33.938 0.300 1 673 65 65 VAL CG1 C 22.020 0.300 2 674 65 65 VAL CG2 C 20.543 0.300 2 675 65 65 VAL N N 130.520 0.300 1 676 66 66 THR H H 7.780 0.030 1 677 66 66 THR HA H 4.847 0.030 1 678 66 66 THR HB H 3.569 0.030 1 679 66 66 THR HG2 H 0.676 0.030 1 680 66 66 THR C C 173.129 0.300 1 681 66 66 THR CA C 61.332 0.300 1 682 66 66 THR CB C 71.721 0.300 1 683 66 66 THR CG2 C 21.714 0.300 1 684 66 66 THR N N 119.564 0.300 1 685 67 67 HIS H H 9.340 0.030 1 686 67 67 HIS HA H 4.815 0.030 1 687 67 67 HIS HB2 H 2.874 0.030 2 688 67 67 HIS HB3 H 2.633 0.030 2 689 67 67 HIS HD2 H 6.593 0.030 1 690 67 67 HIS HE1 H 7.966 0.030 1 691 67 67 HIS C C 172.558 0.300 1 692 67 67 HIS CA C 54.764 0.300 1 693 67 67 HIS CB C 35.145 0.300 1 694 67 67 HIS CD2 C 118.384 0.300 1 695 67 67 HIS CE1 C 138.673 0.300 1 696 67 67 HIS N N 126.046 0.300 1 697 68 68 TYR H H 8.384 0.030 1 698 68 68 TYR HA H 5.127 0.030 1 699 68 68 TYR HB2 H 2.984 0.030 2 700 68 68 TYR HB3 H 2.731 0.030 2 701 68 68 TYR HD1 H 7.039 0.030 1 702 68 68 TYR HD2 H 7.039 0.030 1 703 68 68 TYR HE1 H 6.653 0.030 1 704 68 68 TYR HE2 H 6.653 0.030 1 705 68 68 TYR C C 175.277 0.300 1 706 68 68 TYR CA C 57.645 0.300 1 707 68 68 TYR CB C 39.571 0.300 1 708 68 68 TYR CD1 C 132.946 0.300 1 709 68 68 TYR CD2 C 132.946 0.300 1 710 68 68 TYR CE1 C 117.809 0.300 1 711 68 68 TYR CE2 C 117.809 0.300 1 712 68 68 TYR N N 120.321 0.300 1 713 69 69 LEU H H 9.589 0.030 1 714 69 69 LEU HA H 5.103 0.030 1 715 69 69 LEU HB2 H 1.923 0.030 1 716 69 69 LEU HB3 H 1.923 0.030 1 717 69 69 LEU HG H 1.590 0.030 1 718 69 69 LEU HD1 H 0.954 0.030 1 719 69 69 LEU HD2 H 0.949 0.030 1 720 69 69 LEU C C 175.522 0.300 1 721 69 69 LEU CA C 51.884 0.300 1 722 69 69 LEU CB C 44.019 0.300 1 723 69 69 LEU CG C 27.285 0.300 1 724 69 69 LEU CD1 C 26.029 0.300 2 725 69 69 LEU CD2 C 23.480 0.300 2 726 69 69 LEU N N 124.171 0.300 1 727 70 70 PRO HA H 4.950 0.030 1 728 70 70 PRO HB2 H 2.618 0.030 2 729 70 70 PRO HB3 H 2.190 0.030 2 730 70 70 PRO HG2 H 2.212 0.030 1 731 70 70 PRO HG3 H 2.212 0.030 1 732 70 70 PRO HD2 H 4.033 0.030 2 733 70 70 PRO HD3 H 3.884 0.030 2 734 70 70 PRO C C 176.547 0.300 1 735 70 70 PRO CA C 62.612 0.300 1 736 70 70 PRO CB C 33.369 0.300 1 737 70 70 PRO CG C 27.286 0.300 1 738 70 70 PRO CD C 50.458 0.300 1 739 71 71 ASN H H 8.790 0.030 1 740 71 71 ASN HA H 4.249 0.030 1 741 71 71 ASN HB2 H 2.940 0.030 2 742 71 71 ASN HB3 H 2.217 0.030 2 743 71 71 ASN HD21 H 7.456 0.030 2 744 71 71 ASN HD22 H 6.839 0.030 2 745 71 71 ASN C C 175.122 0.300 1 746 71 71 ASN CA C 55.126 0.300 1 747 71 71 ASN CB C 37.228 0.300 1 748 71 71 ASN N N 115.380 0.300 1 749 71 71 ASN ND2 N 110.596 0.300 1 750 72 72 VAL H H 6.763 0.030 1 751 72 72 VAL HA H 4.427 0.030 1 752 72 72 VAL HB H 2.532 0.030 1 753 72 72 VAL HG1 H 1.044 0.030 1 754 72 72 VAL HG2 H 0.920 0.030 1 755 72 72 VAL C C 175.476 0.300 1 756 72 72 VAL CA C 61.124 0.300 1 757 72 72 VAL CB C 31.852 0.300 1 758 72 72 VAL CG1 C 21.601 0.300 2 759 72 72 VAL CG2 C 18.176 0.300 2 760 72 72 VAL N N 109.129 0.300 1 761 73 73 THR H H 7.777 0.030 1 762 73 73 THR HA H 4.171 0.030 1 763 73 73 THR HB H 4.266 0.030 1 764 73 73 THR HG2 H 1.570 0.030 1 765 73 73 THR C C 170.883 0.300 1 766 73 73 THR CA C 63.683 0.300 1 767 73 73 THR CB C 69.700 0.300 1 768 73 73 THR CG2 C 24.226 0.300 1 769 73 73 THR N N 121.587 0.300 1 770 74 74 LEU H H 7.764 0.030 1 771 74 74 LEU HA H 3.211 0.030 1 772 74 74 LEU HB2 H 1.481 0.030 2 773 74 74 LEU HB3 H 0.894 0.030 2 774 74 74 LEU HG H 1.220 0.030 1 775 74 74 LEU HD1 H 0.812 0.030 1 776 74 74 LEU HD2 H 0.614 0.030 1 777 74 74 LEU C C 173.906 0.300 1 778 74 74 LEU CA C 52.849 0.300 1 779 74 74 LEU CB C 41.711 0.300 1 780 74 74 LEU CG C 27.129 0.300 1 781 74 74 LEU CD1 C 26.045 0.300 2 782 74 74 LEU CD2 C 23.691 0.300 2 783 74 74 LEU N N 123.778 0.300 1 784 75 75 GLU H H 6.685 0.030 1 785 75 75 GLU HA H 4.616 0.030 1 786 75 75 GLU HB2 H 1.724 0.030 2 787 75 75 GLU HB3 H 1.504 0.030 2 788 75 75 GLU HG2 H 1.933 0.030 2 789 75 75 GLU HG3 H 1.700 0.030 2 790 75 75 GLU C C 174.853 0.300 1 791 75 75 GLU CA C 53.659 0.300 1 792 75 75 GLU CB C 32.941 0.300 1 793 75 75 GLU CG C 34.761 0.300 1 794 75 75 GLU N N 112.013 0.300 1 795 76 76 TYR H H 9.289 0.030 1 796 76 76 TYR HA H 4.439 0.030 1 797 76 76 TYR HB2 H 3.190 0.030 2 798 76 76 TYR HB3 H 2.636 0.030 2 799 76 76 TYR HD1 H 6.986 0.030 1 800 76 76 TYR HD2 H 6.986 0.030 1 801 76 76 TYR HE1 H 6.810 0.030 1 802 76 76 TYR HE2 H 6.810 0.030 1 803 76 76 TYR C C 172.661 0.300 1 804 76 76 TYR CA C 59.013 0.300 1 805 76 76 TYR CB C 43.340 0.300 1 806 76 76 TYR CD1 C 132.713 0.300 1 807 76 76 TYR CD2 C 132.713 0.300 1 808 76 76 TYR CE1 C 118.694 0.300 1 809 76 76 TYR CE2 C 118.694 0.300 1 810 76 76 TYR N N 120.617 0.300 1 811 77 77 ARG H H 7.711 0.030 1 812 77 77 ARG HA H 4.611 0.030 1 813 77 77 ARG HB2 H 1.505 0.030 2 814 77 77 ARG HB3 H 1.263 0.030 2 815 77 77 ARG HG2 H 1.263 0.030 2 816 77 77 ARG HG3 H 1.078 0.030 2 817 77 77 ARG HD2 H 3.004 0.030 2 818 77 77 ARG HD3 H 2.943 0.030 2 819 77 77 ARG C C 173.592 0.300 1 820 77 77 ARG CA C 54.690 0.300 1 821 77 77 ARG CB C 29.712 0.300 1 822 77 77 ARG CG C 27.035 0.300 1 823 77 77 ARG CD C 42.502 0.300 1 824 77 77 ARG N N 128.516 0.300 1 825 78 78 VAL H H 8.540 0.030 1 826 78 78 VAL HA H 3.133 0.030 1 827 78 78 VAL HB H 1.276 0.030 1 828 78 78 VAL HG1 H 0.378 0.030 1 829 78 78 VAL HG2 H -0.684 0.030 1 830 78 78 VAL C C 174.942 0.300 1 831 78 78 VAL CA C 62.825 0.300 1 832 78 78 VAL CB C 31.558 0.300 1 833 78 78 VAL CG1 C 21.598 0.300 2 834 78 78 VAL CG2 C 20.404 0.300 2 835 78 78 VAL N N 130.372 0.300 1 836 79 79 THR H H 7.121 0.030 1 837 79 79 THR HA H 4.867 0.030 1 838 79 79 THR HB H 4.364 0.030 1 839 79 79 THR HG2 H 0.985 0.030 1 840 79 79 THR C C 173.970 0.300 1 841 79 79 THR CA C 59.650 0.300 1 842 79 79 THR CB C 72.042 0.300 1 843 79 79 THR CG2 C 21.312 0.300 1 844 79 79 THR N N 114.090 0.300 1 845 80 80 GLY H H 8.733 0.030 1 846 80 80 GLY HA2 H 4.139 0.030 2 847 80 80 GLY HA3 H 3.937 0.030 2 848 80 80 GLY C C 175.745 0.300 1 849 80 80 GLY CA C 46.177 0.300 1 850 80 80 GLY N N 106.384 0.300 1 851 81 81 LEU H H 8.264 0.030 1 852 81 81 LEU HA H 4.375 0.030 1 853 81 81 LEU HB2 H 1.425 0.030 2 854 81 81 LEU HB3 H 1.175 0.030 2 855 81 81 LEU HG H 0.806 0.030 1 856 81 81 LEU HD1 H -0.023 0.030 1 857 81 81 LEU HD2 H -0.329 0.030 1 858 81 81 LEU C C 175.436 0.300 1 859 81 81 LEU CA C 53.510 0.300 1 860 81 81 LEU CB C 40.120 0.300 1 861 81 81 LEU CG C 26.012 0.300 1 862 81 81 LEU CD1 C 24.351 0.300 2 863 81 81 LEU CD2 C 18.370 0.300 2 864 81 81 LEU N N 118.572 0.300 1 865 82 82 THR H H 8.311 0.030 1 866 82 82 THR HA H 4.456 0.030 1 867 82 82 THR HB H 4.010 0.030 1 868 82 82 THR HG2 H 1.323 0.030 1 869 82 82 THR C C 174.029 0.300 1 870 82 82 THR CA C 61.124 0.300 1 871 82 82 THR CB C 71.021 0.300 1 872 82 82 THR CG2 C 21.771 0.300 1 873 82 82 THR N N 115.229 0.300 1 874 83 83 ALA H H 8.617 0.030 1 875 83 83 ALA HA H 4.506 0.030 1 876 83 83 ALA HB H 1.464 0.030 1 877 83 83 ALA C C 177.943 0.300 1 878 83 83 ALA CA C 53.467 0.300 1 879 83 83 ALA CB C 19.761 0.300 1 880 83 83 ALA N N 128.160 0.300 1 881 84 84 LEU H H 8.240 0.030 1 882 84 84 LEU HA H 3.677 0.030 1 883 84 84 LEU HB2 H 1.688 0.030 2 884 84 84 LEU HB3 H 1.550 0.030 2 885 84 84 LEU HG H 1.553 0.030 1 886 84 84 LEU HD1 H 0.897 0.030 1 887 84 84 LEU HD2 H 0.820 0.030 1 888 84 84 LEU C C 175.373 0.300 1 889 84 84 LEU CA C 55.262 0.300 1 890 84 84 LEU CB C 40.641 0.300 1 891 84 84 LEU CG C 26.788 0.300 1 892 84 84 LEU CD1 C 25.418 0.300 2 893 84 84 LEU CD2 C 23.192 0.300 2 894 84 84 LEU N N 123.307 0.300 1 895 85 85 THR H H 8.295 0.030 1 896 85 85 THR HA H 4.463 0.030 1 897 85 85 THR HB H 4.110 0.030 1 898 85 85 THR HG2 H 0.771 0.030 1 899 85 85 THR C C 171.884 0.300 1 900 85 85 THR CA C 62.468 0.300 1 901 85 85 THR CB C 70.910 0.300 1 902 85 85 THR CG2 C 19.423 0.300 1 903 85 85 THR N N 116.007 0.300 1 904 86 86 THR H H 8.441 0.030 1 905 86 86 THR HA H 4.654 0.030 1 906 86 86 THR HB H 3.797 0.030 1 907 86 86 THR HG2 H 0.852 0.030 1 908 86 86 THR C C 173.082 0.300 1 909 86 86 THR CA C 63.195 0.300 1 910 86 86 THR CB C 68.728 0.300 1 911 86 86 THR CG2 C 22.042 0.300 1 912 86 86 THR N N 122.524 0.300 1 913 87 87 TYR H H 9.428 0.030 1 914 87 87 TYR HA H 5.226 0.030 1 915 87 87 TYR HB2 H 2.847 0.030 2 916 87 87 TYR HB3 H 2.530 0.030 2 917 87 87 TYR HD1 H 6.936 0.030 1 918 87 87 TYR HD2 H 6.936 0.030 1 919 87 87 TYR HE1 H 6.901 0.030 1 920 87 87 TYR HE2 H 6.901 0.030 1 921 87 87 TYR C C 175.178 0.300 1 922 87 87 TYR CA C 57.953 0.300 1 923 87 87 TYR CB C 42.686 0.300 1 924 87 87 TYR CD1 C 132.891 0.300 1 925 87 87 TYR CD2 C 132.891 0.300 1 926 87 87 TYR CE1 C 118.749 0.300 1 927 87 87 TYR CE2 C 118.749 0.300 1 928 87 87 TYR N N 126.620 0.300 1 929 88 88 THR H H 9.218 0.030 1 930 88 88 THR HA H 4.962 0.030 1 931 88 88 THR HB H 4.005 0.030 1 932 88 88 THR HG2 H 1.187 0.030 1 933 88 88 THR C C 174.368 0.300 1 934 88 88 THR CA C 62.523 0.300 1 935 88 88 THR CB C 70.047 0.300 1 936 88 88 THR CG2 C 22.771 0.300 1 937 88 88 THR N N 118.054 0.300 1 938 89 89 ILE H H 9.070 0.030 1 939 89 89 ILE HA H 5.272 0.030 1 940 89 89 ILE HB H 1.942 0.030 1 941 89 89 ILE HG12 H 1.642 0.030 2 942 89 89 ILE HG13 H 1.419 0.030 2 943 89 89 ILE HG2 H 1.144 0.030 1 944 89 89 ILE HD1 H 0.714 0.030 1 945 89 89 ILE C C 173.841 0.300 1 946 89 89 ILE CA C 60.050 0.300 1 947 89 89 ILE CB C 39.910 0.300 1 948 89 89 ILE CG1 C 28.911 0.300 1 949 89 89 ILE CG2 C 17.706 0.300 1 950 89 89 ILE CD1 C 13.738 0.300 1 951 89 89 ILE N N 129.002 0.300 1 952 90 90 GLU H H 9.075 0.030 1 953 90 90 GLU HA H 5.448 0.030 1 954 90 90 GLU HB2 H 1.824 0.030 2 955 90 90 GLU HB3 H 1.727 0.030 2 956 90 90 GLU HG2 H 2.153 0.030 2 957 90 90 GLU HG3 H 2.033 0.030 2 958 90 90 GLU C C 175.459 0.300 1 959 90 90 GLU CA C 53.960 0.300 1 960 90 90 GLU CB C 35.032 0.300 1 961 90 90 GLU CG C 36.543 0.300 1 962 90 90 GLU N N 124.253 0.300 1 963 91 91 VAL H H 8.543 0.030 1 964 91 91 VAL HA H 5.052 0.030 1 965 91 91 VAL HB H 1.213 0.030 1 966 91 91 VAL HG1 H 0.296 0.030 1 967 91 91 VAL HG2 H -0.450 0.030 1 968 91 91 VAL C C 175.695 0.300 1 969 91 91 VAL CA C 60.768 0.300 1 970 91 91 VAL CB C 35.668 0.300 1 971 91 91 VAL CG1 C 21.942 0.300 2 972 91 91 VAL CG2 C 19.942 0.300 2 973 91 91 VAL N N 118.555 0.300 1 974 92 92 ALA H H 9.001 0.030 1 975 92 92 ALA HA H 4.703 0.030 1 976 92 92 ALA HB H 1.282 0.030 1 977 92 92 ALA C C 175.048 0.300 1 978 92 92 ALA CA C 51.093 0.300 1 979 92 92 ALA CB C 23.611 0.300 1 980 92 92 ALA N N 129.999 0.300 1 981 93 93 ALA H H 9.558 0.030 1 982 93 93 ALA HA H 4.705 0.030 1 983 93 93 ALA HB H 1.386 0.030 1 984 93 93 ALA C C 175.411 0.300 1 985 93 93 ALA CA C 51.120 0.300 1 986 93 93 ALA CB C 21.355 0.300 1 987 93 93 ALA N N 124.562 0.300 1 988 94 94 MET H H 7.981 0.030 1 989 94 94 MET HA H 5.144 0.030 1 990 94 94 MET HB2 H 1.880 0.030 2 991 94 94 MET HB3 H 1.600 0.030 2 992 94 94 MET HG2 H 2.263 0.030 2 993 94 94 MET HG3 H 2.162 0.030 2 994 94 94 MET HE H 1.898 0.030 1 995 94 94 MET C C 175.594 0.300 1 996 94 94 MET CA C 54.534 0.300 1 997 94 94 MET CB C 35.957 0.300 1 998 94 94 MET CG C 31.153 0.300 1 999 94 94 MET CE C 16.247 0.300 1 1000 94 94 MET N N 116.249 0.300 1 1001 95 95 THR H H 8.226 0.030 1 1002 95 95 THR HA H 5.028 0.030 1 1003 95 95 THR HB H 4.653 0.030 1 1004 95 95 THR HG2 H 1.071 0.030 1 1005 95 95 THR C C 176.669 0.300 1 1006 95 95 THR CA C 60.222 0.300 1 1007 95 95 THR CB C 73.200 0.300 1 1008 95 95 THR CG2 C 21.771 0.300 1 1009 95 95 THR N N 110.698 0.300 1 1010 96 96 SER H H 9.674 0.030 1 1011 96 96 SER HA H 4.178 0.030 1 1012 96 96 SER HB2 H 3.986 0.030 2 1013 96 96 SER HB3 H 3.935 0.030 2 1014 96 96 SER C C 175.462 0.300 1 1015 96 96 SER CA C 61.160 0.300 1 1016 96 96 SER CB C 62.651 0.300 1 1017 96 96 SER N N 116.309 0.300 1 1018 97 97 LYS H H 7.766 0.030 1 1019 97 97 LYS HA H 4.277 0.030 1 1020 97 97 LYS HB2 H 1.769 0.030 2 1021 97 97 LYS HB3 H 1.534 0.030 2 1022 97 97 LYS HG2 H 1.425 0.030 2 1023 97 97 LYS HG3 H 1.370 0.030 2 1024 97 97 LYS HD2 H 1.647 0.030 1 1025 97 97 LYS HD3 H 1.647 0.030 1 1026 97 97 LYS HE2 H 2.977 0.030 1 1027 97 97 LYS HE3 H 2.977 0.030 1 1028 97 97 LYS C C 176.207 0.300 1 1029 97 97 LYS CA C 55.935 0.300 1 1030 97 97 LYS CB C 32.645 0.300 1 1031 97 97 LYS CG C 24.932 0.300 1 1032 97 97 LYS CD C 28.338 0.300 1 1033 97 97 LYS CE C 42.199 0.300 1 1034 97 97 LYS N N 118.814 0.300 1 1035 98 98 GLY H H 7.522 0.030 1 1036 98 98 GLY HA2 H 4.427 0.030 2 1037 98 98 GLY HA3 H 3.790 0.030 2 1038 98 98 GLY C C 171.737 0.300 1 1039 98 98 GLY CA C 44.340 0.300 1 1040 98 98 GLY N N 107.023 0.300 1 1041 99 99 GLN H H 8.322 0.030 1 1042 99 99 GLN HA H 4.750 0.030 1 1043 99 99 GLN HB2 H 2.075 0.030 2 1044 99 99 GLN HB3 H 1.930 0.030 2 1045 99 99 GLN HG2 H 2.410 0.030 2 1046 99 99 GLN HG3 H 2.357 0.030 2 1047 99 99 GLN HE21 H 7.607 0.030 2 1048 99 99 GLN HE22 H 6.991 0.030 2 1049 99 99 GLN C C 176.821 0.300 1 1050 99 99 GLN CA C 55.537 0.300 1 1051 99 99 GLN CB C 30.868 0.300 1 1052 99 99 GLN CG C 34.512 0.300 1 1053 99 99 GLN N N 117.880 0.300 1 1054 99 99 GLN NE2 N 111.929 0.300 1 1055 100 100 GLY H H 8.858 0.030 1 1056 100 100 GLY HA2 H 4.230 0.030 2 1057 100 100 GLY HA3 H 4.061 0.030 2 1058 100 100 GLY C C 172.914 0.300 1 1059 100 100 GLY CA C 44.367 0.300 1 1060 100 100 GLY N N 109.496 0.300 1 1061 101 101 GLN H H 7.616 0.030 1 1062 101 101 GLN HA H 4.130 0.030 1 1063 101 101 GLN HB2 H 1.834 0.030 1 1064 101 101 GLN HB3 H 1.834 0.030 1 1065 101 101 GLN HG2 H 2.535 0.030 2 1066 101 101 GLN HG3 H 2.451 0.030 2 1067 101 101 GLN HE21 H 7.804 0.030 2 1068 101 101 GLN HE22 H 7.006 0.030 2 1069 101 101 GLN C C 177.488 0.300 1 1070 101 101 GLN CA C 56.441 0.300 1 1071 101 101 GLN CB C 29.746 0.300 1 1072 101 101 GLN CG C 33.880 0.300 1 1073 101 101 GLN N N 116.498 0.300 1 1074 101 101 GLN NE2 N 113.076 0.300 1 1075 102 102 VAL H H 8.859 0.030 1 1076 102 102 VAL HA H 4.029 0.030 1 1077 102 102 VAL HB H 2.007 0.030 1 1078 102 102 VAL HG1 H 0.952 0.030 1 1079 102 102 VAL HG2 H 0.844 0.030 1 1080 102 102 VAL C C 175.286 0.300 1 1081 102 102 VAL CA C 63.155 0.300 1 1082 102 102 VAL CB C 33.521 0.300 1 1083 102 102 VAL CG1 C 22.257 0.300 2 1084 102 102 VAL CG2 C 21.606 0.300 2 1085 102 102 VAL N N 126.741 0.300 1 1086 103 103 SER H H 8.016 0.030 1 1087 103 103 SER HA H 4.840 0.030 1 1088 103 103 SER HB2 H 3.900 0.030 2 1089 103 103 SER HB3 H 3.710 0.030 2 1090 103 103 SER C C 171.560 0.300 1 1091 103 103 SER CA C 57.814 0.300 1 1092 103 103 SER CB C 64.919 0.300 1 1093 103 103 SER N N 122.156 0.300 1 1094 104 104 ALA H H 8.709 0.030 1 1095 104 104 ALA HA H 5.899 0.030 1 1096 104 104 ALA HB H 1.351 0.030 1 1097 104 104 ALA C C 177.503 0.300 1 1098 104 104 ALA CA C 50.338 0.300 1 1099 104 104 ALA CB C 23.941 0.300 1 1100 104 104 ALA N N 127.520 0.300 1 1101 105 105 SER H H 8.990 0.030 1 1102 105 105 SER HA H 4.832 0.030 1 1103 105 105 SER HB2 H 3.939 0.030 2 1104 105 105 SER HB3 H 3.849 0.030 2 1105 105 105 SER C C 172.775 0.300 1 1106 105 105 SER CA C 57.893 0.300 1 1107 105 105 SER CB C 66.808 0.300 1 1108 105 105 SER N N 115.154 0.300 1 1109 106 106 THR H H 8.242 0.030 1 1110 106 106 THR HA H 5.658 0.030 1 1111 106 106 THR HB H 3.831 0.030 1 1112 106 106 THR HG2 H 1.020 0.030 1 1113 106 106 THR C C 173.631 0.300 1 1114 106 106 THR CA C 60.697 0.300 1 1115 106 106 THR CB C 71.145 0.300 1 1116 106 106 THR CG2 C 22.247 0.300 1 1117 106 106 THR N N 116.620 0.300 1 1118 107 107 ILE H H 9.034 0.030 1 1119 107 107 ILE HA H 4.493 0.030 1 1120 107 107 ILE HB H 1.117 0.030 1 1121 107 107 ILE HG12 H 1.047 0.030 2 1122 107 107 ILE HG13 H 0.622 0.030 2 1123 107 107 ILE HG2 H 0.216 0.030 1 1124 107 107 ILE HD1 H 0.699 0.030 1 1125 107 107 ILE C C 172.151 0.300 1 1126 107 107 ILE CA C 57.377 0.300 1 1127 107 107 ILE CB C 41.538 0.300 1 1128 107 107 ILE CG1 C 27.998 0.300 1 1129 107 107 ILE CG2 C 17.904 0.300 1 1130 107 107 ILE CD1 C 14.009 0.300 1 1131 107 107 ILE N N 122.535 0.300 1 1132 108 108 SER H H 7.676 0.030 1 1133 108 108 SER HA H 5.614 0.030 1 1134 108 108 SER HB2 H 3.652 0.030 2 1135 108 108 SER HB3 H 3.535 0.030 2 1136 108 108 SER C C 174.778 0.300 1 1137 108 108 SER CA C 56.081 0.300 1 1138 108 108 SER CB C 64.438 0.300 1 1139 108 108 SER N N 118.442 0.300 1 1140 109 109 SER H H 9.184 0.030 1 1141 109 109 SER HA H 4.215 0.030 1 1142 109 109 SER HB2 H 4.484 0.030 2 1143 109 109 SER HB3 H 3.790 0.030 2 1144 109 109 SER C C 174.952 0.300 1 1145 109 109 SER CA C 58.118 0.300 1 1146 109 109 SER CB C 63.657 0.300 1 1147 109 109 SER N N 119.722 0.300 1 1148 110 110 GLY H H 8.153 0.030 1 1149 110 110 GLY HA2 H 4.229 0.030 2 1150 110 110 GLY HA3 H 3.530 0.030 2 1151 110 110 GLY C C 172.517 0.300 1 1152 110 110 GLY CA C 44.286 0.300 1 1153 110 110 GLY N N 106.369 0.300 1 1154 111 111 VAL H H 7.665 0.030 1 1155 111 111 VAL HA H 4.398 0.030 1 1156 111 111 VAL HB H 2.162 0.030 1 1157 111 111 VAL HG1 H 1.030 0.030 1 1158 111 111 VAL HG2 H 0.924 0.030 1 1159 111 111 VAL C C 173.947 0.300 1 1160 111 111 VAL CA C 59.132 0.300 1 1161 111 111 VAL CB C 32.475 0.300 1 1162 111 111 VAL CG1 C 21.665 0.300 2 1163 111 111 VAL CG2 C 19.652 0.300 2 1164 111 111 VAL N N 113.742 0.300 1 1165 112 112 PRO HA H 4.688 0.030 1 1166 112 112 PRO HB2 H 2.326 0.030 2 1167 112 112 PRO HB3 H 1.905 0.030 2 1168 112 112 PRO HG2 H 2.065 0.030 2 1169 112 112 PRO HG3 H 2.002 0.030 2 1170 112 112 PRO HD2 H 3.720 0.030 2 1171 112 112 PRO HD3 H 3.680 0.030 2 1172 112 112 PRO CA C 61.472 0.300 1 1173 112 112 PRO CB C 30.776 0.300 1 1174 112 112 PRO CG C 27.420 0.300 1 1175 112 112 PRO CD C 50.619 0.300 1 1176 113 113 PRO HA H 4.471 0.030 1 1177 113 113 PRO HB2 H 2.327 0.030 2 1178 113 113 PRO HB3 H 1.968 0.030 2 1179 113 113 PRO HG2 H 2.060 0.030 1 1180 113 113 PRO HG3 H 2.060 0.030 1 1181 113 113 PRO HD2 H 3.837 0.030 2 1182 113 113 PRO HD3 H 3.662 0.030 2 1183 113 113 PRO C C 177.056 0.300 1 1184 113 113 PRO CA C 63.106 0.300 1 1185 113 113 PRO CB C 32.093 0.300 1 1186 113 113 PRO CG C 27.465 0.300 1 1187 113 113 PRO CD C 50.715 0.300 1 1188 114 114 SER H H 8.349 0.030 1 1189 114 114 SER HA H 4.472 0.030 1 1190 114 114 SER HB2 H 3.879 0.030 1 1191 114 114 SER HB3 H 3.879 0.030 1 1192 114 114 SER C C 174.639 0.300 1 1193 114 114 SER CA C 58.296 0.300 1 1194 114 114 SER CB C 64.090 0.300 1 1195 114 114 SER N N 115.680 0.300 1 1196 115 115 GLY H H 8.222 0.030 1 1197 115 115 GLY HA2 H 4.163 0.030 2 1198 115 115 GLY HA3 H 4.107 0.030 2 1199 115 115 GLY C C 171.754 0.300 1 1200 115 115 GLY CA C 44.682 0.300 1 1201 115 115 GLY N N 110.564 0.300 1 1202 116 116 PRO HD2 H 3.630 0.030 1 1203 116 116 PRO HD3 H 3.630 0.030 1 1204 118 118 SER HA H 4.508 0.030 1 1205 118 118 SER HB2 H 3.900 0.030 1 1206 118 118 SER HB3 H 3.900 0.030 1 1207 118 118 SER C C 173.931 0.300 1 1208 118 118 SER CA C 58.412 0.300 1 1209 118 118 SER CB C 64.208 0.300 1 1210 119 119 GLY H H 8.046 0.030 1 1211 119 119 GLY HA2 H 3.787 0.030 1 1212 119 119 GLY HA3 H 3.787 0.030 1 1213 119 119 GLY C C 178.997 0.300 1 1214 119 119 GLY CA C 46.266 0.300 1 1215 119 119 GLY N N 116.876 0.300 1 stop_ save_