data_10099 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the First Fibronectin Type III domain of human KIAA1568 Protein ; _BMRB_accession_number 10099 _BMRB_flat_file_name bmr10099.str _Entry_type original _Submission_date 2007-02-13 _Accession_date 2007-02-13 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li H. . . 2 Kigawa T. . . 3 Tochio N. . . 4 Koshiba S. . . 5 Inoue M. . . 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" 655 "13C chemical shifts" 464 "15N chemical shifts" 120 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-08-15 original author . stop_ _Original_release_date 2008-08-15 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structure of the First Fibronectin Type III domain of human KIAA1568 Protein ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li H. . . 2 Kigawa T. . . 3 Tochio N. . . 4 Koshiba S. . . 5 Inoue M. . . 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 'KIAA1568 Protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'KIAA1568 Protein' $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 'Fibronectin Type III domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 117 _Mol_residue_sequence ; GSSGSSGKNYDLSDLPGPPS KPQVTDVTKNSVTLSWQPGT PGTLPASAYIIEAFSQSVSN SWQTVANHVKTTLYTVRGLR PNTIYLFMVRAINPQGLSDP SPMSDPVRTQDSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 LYS 9 ASN 10 TYR 11 ASP 12 LEU 13 SER 14 ASP 15 LEU 16 PRO 17 GLY 18 PRO 19 PRO 20 SER 21 LYS 22 PRO 23 GLN 24 VAL 25 THR 26 ASP 27 VAL 28 THR 29 LYS 30 ASN 31 SER 32 VAL 33 THR 34 LEU 35 SER 36 TRP 37 GLN 38 PRO 39 GLY 40 THR 41 PRO 42 GLY 43 THR 44 LEU 45 PRO 46 ALA 47 SER 48 ALA 49 TYR 50 ILE 51 ILE 52 GLU 53 ALA 54 PHE 55 SER 56 GLN 57 SER 58 VAL 59 SER 60 ASN 61 SER 62 TRP 63 GLN 64 THR 65 VAL 66 ALA 67 ASN 68 HIS 69 VAL 70 LYS 71 THR 72 THR 73 LEU 74 TYR 75 THR 76 VAL 77 ARG 78 GLY 79 LEU 80 ARG 81 PRO 82 ASN 83 THR 84 ILE 85 TYR 86 LEU 87 PHE 88 MET 89 VAL 90 ARG 91 ALA 92 ILE 93 ASN 94 PRO 95 GLN 96 GLY 97 LEU 98 SER 99 ASP 100 PRO 101 SER 102 PRO 103 MET 104 SER 105 ASP 106 PRO 107 VAL 108 ARG 109 THR 110 GLN 111 ASP 112 SER 113 GLY 114 PRO 115 SER 116 SER 117 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-04-26 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 1UEM "Solution Structure Of The First Fibronectin Type Iii Domain Of Human Kiaa1568 Protein" 100.00 117 100.00 100.00 2.35e-76 REF XP_002802664 "PREDICTED: roundabout homolog 2-like [Macaca mulatta]" 91.45 1731 97.20 98.13 5.51e-61 REF XP_008574551 "PREDICTED: roundabout homolog 2 [Galeopterus variegatus]" 91.45 1092 97.20 98.13 1.68e-61 REF XP_009196316 "PREDICTED: roundabout homolog 2 isoform X1 [Papio anubis]" 91.45 1386 97.20 98.13 2.15e-61 REF XP_011746215 "PREDICTED: roundabout homolog 2 isoform X5 [Macaca nemestrina]" 91.45 1388 97.20 98.13 2.45e-61 REF XP_011746218 "PREDICTED: roundabout homolog 2 isoform X5 [Macaca nemestrina]" 91.45 1388 97.20 98.13 2.45e-61 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 P021007-51 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 1.1 mM '[U-13C; U-15N]' phosphate 20 mM . NaCl 100 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 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 0.811 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 'structure solution' stop_ _Details . save_ save_software_6 _Saveframe_category software _Name OPALp _Version . loop_ _Vendor _Address _Electronic_address 'Billeter, M.' . . 'Guntert, P.' . . 'Koradi, R.' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ 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 6.0 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 'KIAA1568 Protein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 SER HA H 4.588 0.030 1 2 2 2 SER HB2 H 3.900 0.030 1 3 2 2 SER HB3 H 3.900 0.030 1 4 2 2 SER C C 174.769 0.300 1 5 2 2 SER CA C 58.395 0.300 1 6 2 2 SER CB C 63.819 0.300 1 7 3 3 SER H H 8.591 0.030 1 8 3 3 SER HA H 4.505 0.030 1 9 3 3 SER HB2 H 3.912 0.030 1 10 3 3 SER HB3 H 3.912 0.030 1 11 3 3 SER CA C 58.571 0.300 1 12 3 3 SER CB C 64.051 0.300 1 13 3 3 SER N N 118.123 0.300 1 14 4 4 GLY H H 8.479 0.030 1 15 4 4 GLY C C 174.332 0.300 1 16 4 4 GLY CA C 45.415 0.300 1 17 4 4 GLY N N 110.958 0.300 1 18 5 5 SER H H 8.304 0.030 1 19 5 5 SER HA H 4.505 0.030 1 20 5 5 SER HB2 H 3.912 0.030 1 21 5 5 SER HB3 H 3.912 0.030 1 22 5 5 SER C C 174.891 0.300 1 23 5 5 SER CA C 58.606 0.300 1 24 5 5 SER CB C 63.886 0.300 1 25 5 5 SER N N 115.822 0.300 1 26 6 6 SER H H 8.441 0.030 1 27 6 6 SER HA H 4.482 0.030 1 28 6 6 SER HB2 H 3.924 0.030 1 29 6 6 SER HB3 H 3.924 0.030 1 30 6 6 SER C C 175.061 0.300 1 31 6 6 SER CA C 58.677 0.300 1 32 6 6 SER CB C 63.886 0.300 1 33 6 6 SER N N 117.811 0.300 1 34 7 7 GLY H H 8.391 0.030 1 35 7 7 GLY HA2 H 3.970 0.030 1 36 7 7 GLY HA3 H 3.970 0.030 1 37 7 7 GLY C C 173.895 0.300 1 38 7 7 GLY CA C 45.344 0.300 1 39 7 7 GLY N N 110.699 0.300 1 40 8 8 LYS H H 8.081 0.030 1 41 8 8 LYS HA H 4.289 0.030 1 42 8 8 LYS HB2 H 1.645 0.030 1 43 8 8 LYS HB3 H 1.645 0.030 1 44 8 8 LYS HG2 H 1.288 0.030 1 45 8 8 LYS HG3 H 1.288 0.030 1 46 8 8 LYS HD2 H 1.625 0.030 1 47 8 8 LYS HD3 H 1.625 0.030 1 48 8 8 LYS HE2 H 3.002 0.030 1 49 8 8 LYS HE3 H 3.002 0.030 1 50 8 8 LYS C C 175.959 0.300 1 51 8 8 LYS CA C 55.996 0.300 1 52 8 8 LYS CB C 33.056 0.300 1 53 8 8 LYS CG C 24.529 0.300 1 54 8 8 LYS CD C 28.980 0.300 1 55 8 8 LYS CE C 42.170 0.300 1 56 8 8 LYS N N 120.592 0.300 1 57 9 9 ASN H H 8.401 0.030 1 58 9 9 ASN HA H 4.672 0.030 1 59 9 9 ASN HB2 H 2.771 0.030 2 60 9 9 ASN HB3 H 2.681 0.030 2 61 9 9 ASN HD21 H 6.903 0.030 2 62 9 9 ASN HD22 H 7.561 0.030 2 63 9 9 ASN C C 174.818 0.300 1 64 9 9 ASN CA C 53.139 0.300 1 65 9 9 ASN CB C 38.935 0.300 1 66 9 9 ASN N N 119.913 0.300 1 67 9 9 ASN ND2 N 112.869 0.300 1 68 10 10 TYR H H 8.102 0.030 1 69 10 10 TYR HA H 4.559 0.030 1 70 10 10 TYR HB2 H 3.107 0.030 2 71 10 10 TYR HB3 H 2.883 0.030 2 72 10 10 TYR HD1 H 7.119 0.030 1 73 10 10 TYR HD2 H 7.119 0.030 1 74 10 10 TYR HE1 H 6.817 0.030 1 75 10 10 TYR HE2 H 6.817 0.030 1 76 10 10 TYR C C 175.593 0.300 1 77 10 10 TYR CA C 58.260 0.300 1 78 10 10 TYR CB C 38.762 0.300 1 79 10 10 TYR CD1 C 133.300 0.300 1 80 10 10 TYR CD2 C 133.300 0.300 1 81 10 10 TYR CE1 C 118.212 0.300 1 82 10 10 TYR CE2 C 118.212 0.300 1 83 10 10 TYR N N 120.592 0.300 1 84 11 11 ASP H H 8.451 0.030 1 85 11 11 ASP HA H 4.619 0.030 1 86 11 11 ASP HB2 H 2.704 0.030 2 87 11 11 ASP HB3 H 2.614 0.030 2 88 11 11 ASP C C 176.227 0.300 1 89 11 11 ASP CA C 54.238 0.300 1 90 11 11 ASP CB C 41.549 0.300 1 91 11 11 ASP N N 121.651 0.300 1 92 12 12 LEU H H 8.113 0.030 1 93 12 12 LEU HA H 4.316 0.030 1 94 12 12 LEU HB2 H 1.653 0.030 2 95 12 12 LEU HB3 H 1.623 0.030 2 96 12 12 LEU HG H 1.634 0.030 1 97 12 12 LEU HD1 H 0.937 0.030 1 98 12 12 LEU HD2 H 0.870 0.030 1 99 12 12 LEU C C 177.635 0.300 1 100 12 12 LEU CA C 55.468 0.300 1 101 12 12 LEU CB C 41.959 0.300 1 102 12 12 LEU CG C 27.094 0.300 1 103 12 12 LEU CD1 C 25.177 0.300 2 104 12 12 LEU CD2 C 23.522 0.300 2 105 12 12 LEU N N 122.232 0.300 1 106 13 13 SER H H 8.304 0.030 1 107 13 13 SER HA H 4.403 0.030 1 108 13 13 SER HB2 H 3.885 0.030 2 109 13 13 SER HB3 H 3.844 0.030 2 110 13 13 SER C C 174.162 0.300 1 111 13 13 SER CA C 58.747 0.300 1 112 13 13 SER CB C 63.886 0.300 1 113 13 13 SER N N 115.822 0.300 1 114 14 14 ASP H H 8.338 0.030 1 115 14 14 ASP HA H 4.695 0.030 1 116 14 14 ASP HB2 H 2.719 0.030 2 117 14 14 ASP HB3 H 2.634 0.030 2 118 14 14 ASP C C 176.202 0.300 1 119 14 14 ASP CA C 54.585 0.300 1 120 14 14 ASP CB C 41.449 0.300 1 121 14 14 ASP N N 121.435 0.300 1 122 15 15 LEU H H 7.890 0.030 1 123 15 15 LEU HA H 4.374 0.030 1 124 15 15 LEU HB2 H 1.572 0.030 2 125 15 15 LEU HB3 H 1.305 0.030 2 126 15 15 LEU HG H 1.614 0.030 1 127 15 15 LEU HD1 H 0.894 0.030 1 128 15 15 LEU HD2 H 0.693 0.030 1 129 15 15 LEU C C 174.453 0.300 1 130 15 15 LEU CA C 53.265 0.300 1 131 15 15 LEU CB C 40.919 0.300 1 132 15 15 LEU CG C 27.249 0.300 1 133 15 15 LEU CD1 C 25.239 0.300 2 134 15 15 LEU CD2 C 23.037 0.300 2 135 15 15 LEU N N 122.511 0.300 1 136 16 16 PRO HA H 4.437 0.030 1 137 16 16 PRO HB2 H 2.298 0.030 2 138 16 16 PRO HB3 H 1.847 0.030 2 139 16 16 PRO HG2 H 1.834 0.030 2 140 16 16 PRO HG3 H 1.767 0.030 2 141 16 16 PRO HD2 H 3.235 0.030 2 142 16 16 PRO HD3 H 3.638 0.030 2 143 16 16 PRO CA C 62.451 0.300 1 144 16 16 PRO CB C 31.536 0.300 1 145 16 16 PRO CG C 27.414 0.300 1 146 16 16 PRO CD C 49.918 0.300 1 147 17 17 GLY H H 8.579 0.030 1 148 17 17 GLY HA2 H 3.834 0.030 2 149 17 17 GLY HA3 H 4.334 0.030 2 150 17 17 GLY C C 171.004 0.300 1 151 17 17 GLY CA C 44.075 0.300 1 152 17 17 GLY N N 108.500 0.300 1 153 18 18 PRO HA H 4.574 0.030 1 154 18 18 PRO HB2 H 1.724 0.030 2 155 18 18 PRO HB3 H 2.034 0.030 2 156 18 18 PRO HG2 H 2.093 0.030 2 157 18 18 PRO HG3 H 1.953 0.030 2 158 18 18 PRO HD2 H 3.794 0.030 2 159 18 18 PRO HD3 H 3.663 0.030 2 160 18 18 PRO CB C 31.570 0.300 1 161 18 18 PRO CG C 27.919 0.300 1 162 18 18 PRO CD C 49.758 0.300 1 163 19 19 PRO HA H 4.723 0.030 1 164 19 19 PRO HB2 H 2.527 0.030 2 165 19 19 PRO HB3 H 1.794 0.030 2 166 19 19 PRO HG2 H 1.995 0.030 2 167 19 19 PRO HG3 H 1.575 0.030 2 168 19 19 PRO HD2 H 4.220 0.030 2 169 19 19 PRO HD3 H 3.541 0.030 2 170 19 19 PRO CA C 61.541 0.300 1 171 19 19 PRO CB C 32.690 0.300 1 172 19 19 PRO CG C 27.826 0.300 1 173 19 19 PRO CD C 50.578 0.300 1 174 20 20 SER H H 8.134 0.030 1 175 20 20 SER HA H 4.505 0.030 1 176 20 20 SER HB2 H 3.965 0.030 2 177 20 20 SER HB3 H 4.238 0.030 2 178 20 20 SER CA C 58.281 0.300 1 179 20 20 SER CB C 64.563 0.300 1 180 20 20 SER N N 113.044 0.300 1 181 21 21 LYS H H 8.067 0.030 1 182 21 21 LYS HA H 4.273 0.030 1 183 21 21 LYS HB2 H 1.764 0.030 2 184 21 21 LYS HB3 H 1.654 0.030 2 185 21 21 LYS HG2 H 1.324 0.030 2 186 21 21 LYS HG3 H 1.198 0.030 2 187 21 21 LYS HD2 H 1.703 0.030 2 188 21 21 LYS HD3 H 1.622 0.030 2 189 21 21 LYS HE2 H 3.113 0.030 2 190 21 21 LYS HE3 H 3.294 0.030 2 191 21 21 LYS CA C 54.421 0.300 1 192 21 21 LYS CB C 34.789 0.300 1 193 21 21 LYS CG C 23.899 0.300 1 194 21 21 LYS CD C 30.769 0.300 1 195 21 21 LYS CE C 42.369 0.300 1 196 21 21 LYS N N 116.715 0.300 1 197 22 22 PRO HA H 5.034 0.030 1 198 22 22 PRO HB2 H 2.084 0.030 2 199 22 22 PRO HB3 H 1.878 0.030 2 200 22 22 PRO HG2 H 1.958 0.030 2 201 22 22 PRO HG3 H 1.714 0.030 2 202 22 22 PRO HD2 H 4.230 0.030 2 203 22 22 PRO HD3 H 3.803 0.030 2 204 22 22 PRO CA C 62.553 0.300 1 205 22 22 PRO CB C 32.525 0.300 1 206 22 22 PRO CG C 27.991 0.300 1 207 22 22 PRO CD C 51.306 0.300 1 208 23 23 GLN H H 9.510 0.030 1 209 23 23 GLN HA H 4.484 0.030 1 210 23 23 GLN HB2 H 2.110 0.030 2 211 23 23 GLN HB3 H 1.990 0.030 2 212 23 23 GLN HG2 H 2.426 0.030 1 213 23 23 GLN HG3 H 2.426 0.030 1 214 23 23 GLN HE21 H 6.909 0.030 2 215 23 23 GLN HE22 H 7.386 0.030 2 216 23 23 GLN C C 175.376 0.300 1 217 23 23 GLN CA C 53.986 0.300 1 218 23 23 GLN CB C 30.848 0.300 1 219 23 23 GLN CG C 33.844 0.300 1 220 23 23 GLN N N 122.167 0.300 1 221 23 23 GLN NE2 N 112.321 0.300 1 222 24 24 VAL H H 8.675 0.030 1 223 24 24 VAL HA H 4.707 0.030 1 224 24 24 VAL HB H 2.084 0.030 1 225 24 24 VAL HG1 H 0.958 0.030 1 226 24 24 VAL HG2 H 1.022 0.030 1 227 24 24 VAL C C 177.150 0.300 1 228 24 24 VAL CA C 61.887 0.300 1 229 24 24 VAL CB C 32.562 0.300 1 230 24 24 VAL CG1 C 22.271 0.300 2 231 24 24 VAL CG2 C 20.783 0.300 2 232 24 24 VAL N N 124.080 0.300 1 233 25 25 THR H H 9.067 0.030 1 234 25 25 THR HA H 4.556 0.030 1 235 25 25 THR HB H 4.201 0.030 1 236 25 25 THR HG2 H 1.001 0.030 1 237 25 25 THR C C 174.016 0.300 1 238 25 25 THR CA C 61.132 0.300 1 239 25 25 THR CB C 69.919 0.300 1 240 25 25 THR CG2 C 21.891 0.300 1 241 25 25 THR N N 119.614 0.300 1 242 26 26 ASP H H 7.923 0.030 1 243 26 26 ASP HA H 4.582 0.030 1 244 26 26 ASP HB2 H 2.435 0.030 2 245 26 26 ASP HB3 H 2.628 0.030 2 246 26 26 ASP CA C 54.859 0.300 1 247 26 26 ASP CB C 42.502 0.300 1 248 26 26 ASP N N 119.272 0.300 1 249 27 27 VAL H H 8.128 0.030 1 250 27 27 VAL HA H 4.565 0.030 1 251 27 27 VAL HB H 2.084 0.030 1 252 27 27 VAL HG1 H 1.064 0.030 1 253 27 27 VAL HG2 H 1.165 0.030 1 254 27 27 VAL C C 175.644 0.300 1 255 27 27 VAL CA C 62.839 0.300 1 256 27 27 VAL CB C 34.091 0.300 1 257 27 27 VAL CG1 C 22.794 0.300 2 258 27 27 VAL CG2 C 21.726 0.300 2 259 27 27 VAL N N 120.831 0.300 1 260 28 28 THR H H 8.864 0.030 1 261 28 28 THR HA H 4.937 0.030 1 262 28 28 THR HB H 4.628 0.030 1 263 28 28 THR HG2 H 1.139 0.030 1 264 28 28 THR C C 175.133 0.300 1 265 28 28 THR CA C 60.647 0.300 1 266 28 28 THR CB C 71.155 0.300 1 267 28 28 THR CG2 C 20.572 0.300 1 268 28 28 THR N N 119.742 0.300 1 269 29 29 LYS H H 8.245 0.030 1 270 29 29 LYS HA H 4.323 0.030 1 271 29 29 LYS HB2 H 1.650 0.030 2 272 29 29 LYS HB3 H 1.777 0.030 2 273 29 29 LYS HG2 H 1.429 0.030 2 274 29 29 LYS HG3 H 1.262 0.030 2 275 29 29 LYS HD2 H 1.664 0.030 1 276 29 29 LYS HD3 H 1.664 0.030 1 277 29 29 LYS HE2 H 3.001 0.030 1 278 29 29 LYS HE3 H 3.001 0.030 1 279 29 29 LYS C C 174.380 0.300 1 280 29 29 LYS CA C 58.324 0.300 1 281 29 29 LYS CB C 32.562 0.300 1 282 29 29 LYS CG C 24.199 0.300 1 283 29 29 LYS CD C 29.970 0.300 1 284 29 29 LYS CE C 42.170 0.300 1 285 29 29 LYS N N 116.617 0.300 1 286 30 30 ASN H H 7.587 0.030 1 287 30 30 ASN HA H 4.790 0.030 1 288 30 30 ASN HB2 H 3.059 0.030 2 289 30 30 ASN HB3 H 2.812 0.030 2 290 30 30 ASN HD21 H 7.657 0.030 2 291 30 30 ASN HD22 H 7.026 0.030 2 292 30 30 ASN CA C 51.975 0.300 1 293 30 30 ASN CB C 40.809 0.300 1 294 30 30 ASN N N 109.879 0.300 1 295 30 30 ASN ND2 N 111.433 0.300 1 296 31 31 SER H H 7.628 0.030 1 297 31 31 SER HA H 5.548 0.030 1 298 31 31 SER HB2 H 3.739 0.030 2 299 31 31 SER HB3 H 3.684 0.030 2 300 31 31 SER C C 171.247 0.300 1 301 31 31 SER CA C 57.140 0.300 1 302 31 31 SER CB C 67.678 0.300 1 303 31 31 SER N N 114.542 0.300 1 304 32 32 VAL H H 8.099 0.030 1 305 32 32 VAL HA H 4.615 0.030 1 306 32 32 VAL HB H 1.657 0.030 1 307 32 32 VAL HG1 H 0.843 0.030 1 308 32 32 VAL HG2 H 0.731 0.030 1 309 32 32 VAL C C 174.113 0.300 1 310 32 32 VAL CA C 60.932 0.300 1 311 32 32 VAL CB C 36.701 0.300 1 312 32 32 VAL CG1 C 22.371 0.300 2 313 32 32 VAL CG2 C 21.926 0.300 2 314 32 32 VAL N N 115.184 0.300 1 315 33 33 THR H H 8.808 0.030 1 316 33 33 THR HA H 4.974 0.030 1 317 33 33 THR HB H 3.900 0.030 1 318 33 33 THR HG2 H 0.962 0.030 1 319 33 33 THR C C 172.243 0.300 1 320 33 33 THR CA C 62.555 0.300 1 321 33 33 THR CB C 69.626 0.300 1 322 33 33 THR CG2 C 21.974 0.300 1 323 33 33 THR N N 122.825 0.300 1 324 34 34 LEU H H 8.970 0.030 1 325 34 34 LEU HA H 5.538 0.030 1 326 34 34 LEU HB2 H 1.954 0.030 2 327 34 34 LEU HB3 H 1.479 0.030 2 328 34 34 LEU HG H 1.376 0.030 1 329 34 34 LEU HD1 H 0.347 0.030 1 330 34 34 LEU HD2 H 0.510 0.030 1 331 34 34 LEU C C 175.206 0.300 1 332 34 34 LEU CA C 52.822 0.300 1 333 34 34 LEU CB C 47.149 0.300 1 334 34 34 LEU CG C 26.970 0.300 1 335 34 34 LEU CD1 C 26.027 0.300 2 336 34 34 LEU CD2 C 24.363 0.300 2 337 34 34 LEU N N 127.193 0.300 1 338 35 35 SER H H 8.730 0.030 1 339 35 35 SER HA H 5.256 0.030 1 340 35 35 SER HB2 H 3.676 0.030 2 341 35 35 SER HB3 H 3.544 0.030 2 342 35 35 SER C C 173.773 0.300 1 343 35 35 SER CA C 55.855 0.300 1 344 35 35 SER CB C 66.068 0.300 1 345 35 35 SER N N 112.505 0.300 1 346 36 36 TRP H H 8.050 0.030 1 347 36 36 TRP HA H 4.970 0.030 1 348 36 36 TRP HB2 H 3.146 0.030 2 349 36 36 TRP HB3 H 3.032 0.030 2 350 36 36 TRP HD1 H 6.354 0.030 1 351 36 36 TRP HE1 H 5.642 0.030 1 352 36 36 TRP HE3 H 6.832 0.030 1 353 36 36 TRP HZ2 H 6.890 0.030 1 354 36 36 TRP HH2 H 6.667 0.030 1 355 36 36 TRP C C 172.632 0.300 1 356 36 36 TRP CA C 56.717 0.300 1 357 36 36 TRP CB C 30.501 0.300 1 358 36 36 TRP CD1 C 124.408 0.300 1 359 36 36 TRP CE3 C 119.895 0.300 1 360 36 36 TRP CZ2 C 115.215 0.300 1 361 36 36 TRP CZ3 C 121.377 0.300 1 362 36 36 TRP CH2 C 123.783 0.300 1 363 36 36 TRP N N 123.941 0.300 1 364 36 36 TRP NE1 N 122.836 0.300 1 365 37 37 GLN H H 8.451 0.030 1 366 37 37 GLN HA H 4.900 0.030 1 367 37 37 GLN HB2 H 2.188 0.030 2 368 37 37 GLN HB3 H 1.913 0.030 2 369 37 37 GLN HG2 H 2.342 0.030 1 370 37 37 GLN HG3 H 2.342 0.030 1 371 37 37 GLN HE21 H 7.456 0.030 2 372 37 37 GLN HE22 H 6.800 0.030 2 373 37 37 GLN C C 174.016 0.300 1 374 37 37 GLN CA C 52.046 0.300 1 375 37 37 GLN CB C 29.775 0.300 1 376 37 37 GLN CG C 33.275 0.300 1 377 37 37 GLN N N 116.571 0.300 1 378 37 37 GLN NE2 N 112.726 0.300 1 379 38 38 PRO HA H 4.541 0.030 1 380 38 38 PRO HB2 H 2.630 0.030 2 381 38 38 PRO HB3 H 2.084 0.030 2 382 38 38 PRO HG2 H 2.154 0.030 2 383 38 38 PRO HG3 H 2.034 0.030 2 384 38 38 PRO HD2 H 3.747 0.030 1 385 38 38 PRO HD3 H 3.747 0.030 1 386 38 38 PRO CA C 63.025 0.300 1 387 38 38 PRO CB C 32.937 0.300 1 388 38 38 PRO CG C 27.859 0.300 1 389 38 38 PRO CD C 50.927 0.300 1 390 39 39 GLY H H 8.894 0.030 1 391 39 39 GLY HA2 H 4.134 0.030 2 392 39 39 GLY HA3 H 3.627 0.030 2 393 39 39 GLY C C 174.235 0.300 1 394 39 39 GLY CA C 44.251 0.300 1 395 39 39 GLY N N 109.469 0.300 1 396 40 40 THR H H 8.438 0.030 1 397 40 40 THR HA H 4.363 0.030 1 398 40 40 THR HB H 4.166 0.030 1 399 40 40 THR HG2 H 1.324 0.030 1 400 40 40 THR C C 173.627 0.300 1 401 40 40 THR CA C 60.669 0.300 1 402 40 40 THR CB C 68.997 0.300 1 403 40 40 THR CG2 C 21.989 0.300 1 404 40 40 THR N N 115.810 0.300 1 405 41 41 PRO HA H 4.472 0.030 1 406 41 41 PRO HB2 H 2.304 0.030 2 407 41 41 PRO HB3 H 1.984 0.030 2 408 41 41 PRO HG2 H 2.114 0.030 2 409 41 41 PRO HG3 H 2.054 0.030 2 410 41 41 PRO HD2 H 3.904 0.030 2 411 41 41 PRO HD3 H 3.734 0.030 2 412 41 41 PRO CA C 63.951 0.300 1 413 41 41 PRO CB C 32.278 0.300 1 414 41 41 PRO CG C 27.589 0.300 1 415 41 41 PRO CD C 50.973 0.300 1 416 42 42 GLY H H 8.431 0.030 1 417 42 42 GLY HA2 H 4.128 0.030 2 418 42 42 GLY HA3 H 3.583 0.030 2 419 42 42 GLY C C 174.380 0.300 1 420 42 42 GLY CA C 44.234 0.300 1 421 42 42 GLY N N 109.681 0.300 1 422 43 43 THR H H 8.327 0.030 1 423 43 43 THR HA H 4.033 0.030 1 424 43 43 THR HB H 4.157 0.030 1 425 43 43 THR HG2 H 1.229 0.030 1 426 43 43 THR CA C 64.703 0.300 1 427 43 43 THR CB C 69.133 0.300 1 428 43 43 THR CG2 C 22.502 0.300 1 429 43 43 THR N N 116.333 0.300 1 430 44 44 LEU H H 7.894 0.030 1 431 44 44 LEU HA H 4.791 0.030 1 432 44 44 LEU HB2 H 1.560 0.030 2 433 44 44 LEU HB3 H 1.463 0.030 2 434 44 44 LEU HG H 1.573 0.030 1 435 44 44 LEU HD1 H 0.914 0.030 1 436 44 44 LEU HD2 H 0.873 0.030 1 437 44 44 LEU CA C 51.905 0.300 1 438 44 44 LEU CB C 42.531 0.300 1 439 44 44 LEU CG C 27.115 0.300 1 440 44 44 LEU CD1 C 23.179 0.300 2 441 44 44 LEU CD2 C 25.473 0.300 2 442 44 44 LEU N N 121.075 0.300 1 443 45 45 PRO HA H 4.396 0.030 1 444 45 45 PRO HB2 H 2.346 0.030 2 445 45 45 PRO HB3 H 1.905 0.030 2 446 45 45 PRO HG2 H 2.024 0.030 1 447 45 45 PRO HG3 H 2.024 0.030 1 448 45 45 PRO HD2 H 3.837 0.030 2 449 45 45 PRO HD3 H 3.623 0.030 2 450 45 45 PRO CA C 62.777 0.300 1 451 45 45 PRO CB C 32.607 0.300 1 452 45 45 PRO CG C 27.269 0.300 1 453 45 45 PRO CD C 50.742 0.300 1 454 46 46 ALA H H 8.504 0.030 1 455 46 46 ALA HA H 4.298 0.030 1 456 46 46 ALA HB H 1.273 0.030 1 457 46 46 ALA C C 177.757 0.300 1 458 46 46 ALA CA C 52.635 0.300 1 459 46 46 ALA CB C 18.961 0.300 1 460 46 46 ALA N N 123.212 0.300 1 461 47 47 SER H H 9.080 0.030 1 462 47 47 SER HA H 4.499 0.030 1 463 47 47 SER HB2 H 3.825 0.030 1 464 47 47 SER HB3 H 3.825 0.030 1 465 47 47 SER CA C 58.929 0.300 1 466 47 47 SER CB C 64.298 0.300 1 467 47 47 SER N N 117.021 0.300 1 468 48 48 ALA H H 7.717 0.030 1 469 48 48 ALA HA H 4.602 0.030 1 470 48 48 ALA HB H 1.095 0.030 1 471 48 48 ALA CA C 51.121 0.300 1 472 48 48 ALA CB C 21.707 0.300 1 473 48 48 ALA N N 121.593 0.300 1 474 49 49 TYR H H 9.102 0.030 1 475 49 49 TYR HA H 5.427 0.030 1 476 49 49 TYR HB2 H 2.815 0.030 2 477 49 49 TYR HB3 H 2.556 0.030 2 478 49 49 TYR HD1 H 7.121 0.030 1 479 49 49 TYR HD2 H 7.121 0.030 1 480 49 49 TYR HE1 H 6.749 0.030 1 481 49 49 TYR HE2 H 6.749 0.030 1 482 49 49 TYR CA C 57.054 0.300 1 483 49 49 TYR CB C 42.415 0.300 1 484 49 49 TYR CD1 C 134.555 0.300 1 485 49 49 TYR CD2 C 134.555 0.300 1 486 49 49 TYR CE1 C 117.166 0.300 1 487 49 49 TYR CE2 C 117.166 0.300 1 488 49 49 TYR N N 115.379 0.300 1 489 50 50 ILE H H 8.877 0.030 1 490 50 50 ILE HA H 4.660 0.030 1 491 50 50 ILE HB H 1.598 0.030 1 492 50 50 ILE HG12 H 1.001 0.030 2 493 50 50 ILE HG13 H 1.501 0.030 2 494 50 50 ILE HG2 H 0.921 0.030 1 495 50 50 ILE HD1 H 0.787 0.030 1 496 50 50 ILE C C 174.405 0.300 1 497 50 50 ILE CA C 59.418 0.300 1 498 50 50 ILE CB C 41.959 0.300 1 499 50 50 ILE CG1 C 28.415 0.300 1 500 50 50 ILE CG2 C 18.001 0.300 1 501 50 50 ILE CD1 C 14.609 0.300 1 502 50 50 ILE N N 118.474 0.300 1 503 51 51 ILE H H 8.495 0.030 1 504 51 51 ILE HA H 4.695 0.030 1 505 51 51 ILE HB H 1.585 0.030 1 506 51 51 ILE HG12 H 0.528 0.030 2 507 51 51 ILE HG13 H 1.225 0.030 2 508 51 51 ILE HG2 H 0.841 0.030 1 509 51 51 ILE HD1 H 0.629 0.030 1 510 51 51 ILE C C 175.061 0.300 1 511 51 51 ILE CA C 60.229 0.300 1 512 51 51 ILE CB C 39.981 0.300 1 513 51 51 ILE CG1 C 26.647 0.300 1 514 51 51 ILE CG2 C 17.882 0.300 1 515 51 51 ILE CD1 C 14.903 0.300 1 516 51 51 ILE N N 123.059 0.300 1 517 52 52 GLU H H 9.270 0.030 1 518 52 52 GLU HA H 5.596 0.030 1 519 52 52 GLU HB2 H 2.350 0.030 2 520 52 52 GLU HB3 H 1.908 0.030 2 521 52 52 GLU HG2 H 2.058 0.030 1 522 52 52 GLU HG3 H 2.058 0.030 1 523 52 52 GLU C C 174.794 0.300 1 524 52 52 GLU CA C 54.562 0.300 1 525 52 52 GLU CB C 34.458 0.300 1 526 52 52 GLU CG C 36.894 0.300 1 527 52 52 GLU N N 127.453 0.300 1 528 53 53 ALA H H 9.825 0.030 1 529 53 53 ALA HA H 5.809 0.030 1 530 53 53 ALA HB H 1.324 0.030 1 531 53 53 ALA C C 176.227 0.300 1 532 53 53 ALA CA C 50.318 0.300 1 533 53 53 ALA CB C 25.960 0.300 1 534 53 53 ALA N N 122.558 0.300 1 535 54 54 PHE H H 8.803 0.030 1 536 54 54 PHE HA H 4.194 0.030 1 537 54 54 PHE HB2 H 1.394 0.030 2 538 54 54 PHE HB3 H 0.088 0.030 2 539 54 54 PHE HD1 H 6.000 0.030 1 540 54 54 PHE HD2 H 6.000 0.030 1 541 54 54 PHE HE1 H 6.928 0.030 1 542 54 54 PHE HE2 H 6.928 0.030 1 543 54 54 PHE HZ H 7.086 0.030 1 544 54 54 PHE C C 174.210 0.300 1 545 54 54 PHE CA C 55.944 0.300 1 546 54 54 PHE CB C 41.027 0.300 1 547 54 54 PHE CD1 C 130.684 0.300 1 548 54 54 PHE CD2 C 130.684 0.300 1 549 54 54 PHE CE1 C 130.618 0.300 1 550 54 54 PHE CE2 C 130.618 0.300 1 551 54 54 PHE CZ C 129.365 0.300 1 552 54 54 PHE N N 124.325 0.300 1 553 55 55 SER H H 7.733 0.030 1 554 55 55 SER HA H 4.144 0.030 1 555 55 55 SER HB2 H 3.150 0.030 2 556 55 55 SER HB3 H 2.796 0.030 2 557 55 55 SER C C 175.328 0.300 1 558 55 55 SER CA C 56.826 0.300 1 559 55 55 SER CB C 64.586 0.300 1 560 55 55 SER N N 119.209 0.300 1 561 56 56 GLN H H 8.941 0.030 1 562 56 56 GLN HA H 3.837 0.030 1 563 56 56 GLN HB2 H 2.013 0.030 1 564 56 56 GLN HB3 H 2.013 0.030 1 565 56 56 GLN HG2 H 2.378 0.030 1 566 56 56 GLN HG3 H 2.378 0.030 1 567 56 56 GLN HE21 H 7.505 0.030 2 568 56 56 GLN HE22 H 6.881 0.030 2 569 56 56 GLN C C 176.299 0.300 1 570 56 56 GLN CA C 57.965 0.300 1 571 56 56 GLN CB C 28.688 0.300 1 572 56 56 GLN CG C 33.926 0.300 1 573 56 56 GLN N N 130.147 0.300 1 574 56 56 GLN NE2 N 111.951 0.300 1 575 57 57 SER H H 7.754 0.030 1 576 57 57 SER HA H 4.199 0.030 1 577 57 57 SER HB2 H 3.768 0.030 1 578 57 57 SER HB3 H 3.768 0.030 1 579 57 57 SER C C 173.968 0.300 1 580 57 57 SER CA C 59.765 0.300 1 581 57 57 SER CB C 63.144 0.300 1 582 57 57 SER N N 111.529 0.300 1 583 58 58 VAL H H 7.275 0.030 1 584 58 58 VAL HA H 3.914 0.030 1 585 58 58 VAL HB H 1.883 0.030 1 586 58 58 VAL HG1 H 0.756 0.030 1 587 58 58 VAL HG2 H 0.902 0.030 1 588 58 58 VAL C C 175.595 0.300 1 589 58 58 VAL CA C 63.862 0.300 1 590 58 58 VAL CB C 32.978 0.300 1 591 58 58 VAL CG1 C 20.911 0.300 2 592 58 58 VAL CG2 C 20.827 0.300 2 593 58 58 VAL N N 120.402 0.300 1 594 59 59 SER H H 7.810 0.030 1 595 59 59 SER HA H 4.464 0.030 1 596 59 59 SER HB2 H 3.956 0.030 2 597 59 59 SER HB3 H 3.658 0.030 2 598 59 59 SER C C 173.409 0.300 1 599 59 59 SER CA C 57.670 0.300 1 600 59 59 SER CB C 63.624 0.300 1 601 59 59 SER N N 112.324 0.300 1 602 60 60 ASN H H 8.383 0.030 1 603 60 60 ASN HA H 4.565 0.030 1 604 60 60 ASN HB2 H 3.010 0.030 2 605 60 60 ASN HB3 H 2.773 0.030 2 606 60 60 ASN HD21 H 7.563 0.030 2 607 60 60 ASN HD22 H 6.862 0.030 2 608 60 60 ASN CA C 53.668 0.300 1 609 60 60 ASN CB C 38.415 0.300 1 610 60 60 ASN N N 120.258 0.300 1 611 60 60 ASN ND2 N 111.787 0.300 1 612 61 61 SER H H 7.877 0.030 1 613 61 61 SER HA H 4.848 0.030 1 614 61 61 SER HB2 H 3.904 0.030 2 615 61 61 SER HB3 H 3.781 0.030 2 616 61 61 SER C C 173.870 0.300 1 617 61 61 SER CA C 57.160 0.300 1 618 61 61 SER CB C 65.454 0.300 1 619 61 61 SER N N 112.742 0.300 1 620 62 62 TRP H H 8.830 0.030 1 621 62 62 TRP HA H 4.483 0.030 1 622 62 62 TRP HB2 H 3.194 0.030 2 623 62 62 TRP HB3 H 3.037 0.030 2 624 62 62 TRP HD1 H 7.333 0.030 1 625 62 62 TRP HE1 H 9.727 0.030 1 626 62 62 TRP HE3 H 7.299 0.030 1 627 62 62 TRP HZ2 H 7.286 0.030 1 628 62 62 TRP HH2 H 6.761 0.030 1 629 62 62 TRP C C 176.639 0.300 1 630 62 62 TRP CA C 59.206 0.300 1 631 62 62 TRP CB C 29.222 0.300 1 632 62 62 TRP CD1 C 126.902 0.300 1 633 62 62 TRP CE3 C 120.133 0.300 1 634 62 62 TRP CZ2 C 114.846 0.300 1 635 62 62 TRP CZ3 C 122.555 0.300 1 636 62 62 TRP CH2 C 124.299 0.300 1 637 62 62 TRP N N 124.286 0.300 1 638 62 62 TRP NE1 N 129.277 0.300 1 639 63 63 GLN H H 9.155 0.030 1 640 63 63 GLN HA H 4.850 0.030 1 641 63 63 GLN HB2 H 2.131 0.030 2 642 63 63 GLN HB3 H 1.918 0.030 2 643 63 63 GLN HG2 H 2.347 0.030 1 644 63 63 GLN HG3 H 2.347 0.030 1 645 63 63 GLN HE21 H 7.199 0.030 2 646 63 63 GLN HE22 H 6.790 0.030 2 647 63 63 GLN C C 176.056 0.300 1 648 63 63 GLN CA C 53.951 0.300 1 649 63 63 GLN CB C 32.232 0.300 1 650 63 63 GLN CG C 33.514 0.300 1 651 63 63 GLN N N 121.139 0.300 1 652 63 63 GLN NE2 N 112.036 0.300 1 653 64 64 THR H H 9.270 0.030 1 654 64 64 THR HA H 4.494 0.030 1 655 64 64 THR HB H 4.119 0.030 1 656 64 64 THR HG2 H 1.162 0.030 1 657 64 64 THR CA C 64.708 0.300 1 658 64 64 THR CB C 68.593 0.300 1 659 64 64 THR CG2 C 22.386 0.300 1 660 64 64 THR N N 122.003 0.300 1 661 65 65 VAL H H 8.977 0.030 1 662 65 65 VAL HA H 4.672 0.030 1 663 65 65 VAL HB H 2.476 0.030 1 664 65 65 VAL HG1 H 1.001 0.030 1 665 65 65 VAL HG2 H 0.929 0.030 1 666 65 65 VAL CA C 61.181 0.300 1 667 65 65 VAL CB C 32.727 0.300 1 668 65 65 VAL CG1 C 22.545 0.300 2 669 65 65 VAL CG2 C 20.076 0.300 2 670 65 65 VAL N N 120.937 0.300 1 671 66 66 ALA H H 7.724 0.030 1 672 66 66 ALA HA H 4.604 0.030 1 673 66 66 ALA HB H 1.193 0.030 1 674 66 66 ALA C C 174.551 0.300 1 675 66 66 ALA CA C 53.201 0.300 1 676 66 66 ALA CB C 22.670 0.300 1 677 66 66 ALA N N 123.246 0.300 1 678 67 67 ASN H H 8.631 0.030 1 679 67 67 ASN HA H 4.992 0.030 1 680 67 67 ASN HB2 H 2.637 0.030 1 681 67 67 ASN HB3 H 2.637 0.030 1 682 67 67 ASN HD21 H 7.484 0.030 2 683 67 67 ASN HD22 H 6.631 0.030 2 684 67 67 ASN C C 173.652 0.300 1 685 67 67 ASN CA C 51.517 0.300 1 686 67 67 ASN CB C 40.770 0.300 1 687 67 67 ASN N N 119.847 0.300 1 688 67 67 ASN ND2 N 110.151 0.300 1 689 68 68 HIS H H 8.164 0.030 1 690 68 68 HIS HA H 3.991 0.030 1 691 68 68 HIS HB2 H 3.253 0.030 2 692 68 68 HIS HB3 H 3.157 0.030 2 693 68 68 HIS HD2 H 7.008 0.030 1 694 68 68 HIS HE1 H 8.110 0.030 1 695 68 68 HIS CA C 57.173 0.300 1 696 68 68 HIS CB C 27.781 0.300 1 697 68 68 HIS CD2 C 120.033 0.300 1 698 68 68 HIS CE1 C 137.289 0.300 1 699 68 68 HIS N N 117.681 0.300 1 700 69 69 VAL H H 8.813 0.030 1 701 69 69 VAL HA H 3.985 0.030 1 702 69 69 VAL HB H 2.070 0.030 1 703 69 69 VAL HG1 H 1.134 0.030 1 704 69 69 VAL HG2 H 0.314 0.030 1 705 69 69 VAL C C 177.490 0.300 1 706 69 69 VAL CA C 63.438 0.300 1 707 69 69 VAL CB C 32.479 0.300 1 708 69 69 VAL CG1 C 22.199 0.300 2 709 69 69 VAL CG2 C 21.779 0.300 2 710 69 69 VAL N N 121.805 0.300 1 711 70 70 LYS H H 9.144 0.030 1 712 70 70 LYS HA H 4.743 0.030 1 713 70 70 LYS HB2 H 2.224 0.030 2 714 70 70 LYS HB3 H 1.885 0.030 2 715 70 70 LYS HG2 H 1.632 0.030 2 716 70 70 LYS HG3 H 1.690 0.030 2 717 70 70 LYS HD2 H 1.834 0.030 1 718 70 70 LYS HD3 H 1.834 0.030 1 719 70 70 LYS HE2 H 3.104 0.030 1 720 70 70 LYS HE3 H 3.104 0.030 1 721 70 70 LYS C C 176.494 0.300 1 722 70 70 LYS CA C 56.808 0.300 1 723 70 70 LYS CB C 33.009 0.300 1 724 70 70 LYS CG C 25.024 0.300 1 725 70 70 LYS CD C 28.816 0.300 1 726 70 70 LYS CE C 42.170 0.300 1 727 70 70 LYS N N 125.968 0.300 1 728 71 71 THR H H 7.431 0.030 1 729 71 71 THR HA H 4.695 0.030 1 730 71 71 THR HB H 4.558 0.030 1 731 71 71 THR HG2 H 1.331 0.030 1 732 71 71 THR C C 171.199 0.300 1 733 71 71 THR CA C 59.559 0.300 1 734 71 71 THR CB C 70.392 0.300 1 735 71 71 THR CG2 C 21.721 0.300 1 736 71 71 THR N N 111.016 0.300 1 737 72 72 THR H H 7.428 0.030 1 738 72 72 THR HA H 2.965 0.030 1 739 72 72 THR HB H 3.745 0.030 1 740 72 72 THR HG2 H 0.621 0.030 1 741 72 72 THR CA C 59.883 0.300 1 742 72 72 THR CB C 66.365 0.300 1 743 72 72 THR CG2 C 21.020 0.300 1 744 72 72 THR N N 104.737 0.300 1 745 73 73 LEU H H 6.526 0.030 1 746 73 73 LEU HA H 4.909 0.030 1 747 73 73 LEU HB2 H 1.448 0.030 2 748 73 73 LEU HB3 H 1.242 0.030 2 749 73 73 LEU HG H 1.284 0.030 1 750 73 73 LEU HD1 H 0.710 0.030 1 751 73 73 LEU HD2 H 0.726 0.030 1 752 73 73 LEU C C 176.469 0.300 1 753 73 73 LEU CA C 54.127 0.300 1 754 73 73 LEU CB C 45.152 0.300 1 755 73 73 LEU CG C 27.219 0.300 1 756 73 73 LEU CD1 C 25.506 0.300 2 757 73 73 LEU CD2 C 24.620 0.300 2 758 73 73 LEU N N 120.381 0.300 1 759 74 74 TYR H H 9.283 0.030 1 760 74 74 TYR HA H 4.588 0.030 1 761 74 74 TYR HB2 H 3.027 0.030 2 762 74 74 TYR HB3 H 2.675 0.030 2 763 74 74 TYR HD1 H 6.940 0.030 1 764 74 74 TYR HD2 H 6.940 0.030 1 765 74 74 TYR HE1 H 6.845 0.030 1 766 74 74 TYR HE2 H 6.845 0.030 1 767 74 74 TYR C C 172.972 0.300 1 768 74 74 TYR CA C 58.959 0.300 1 769 74 74 TYR CB C 44.080 0.300 1 770 74 74 TYR CD1 C 133.393 0.300 1 771 74 74 TYR CD2 C 133.393 0.300 1 772 74 74 TYR CE1 C 118.584 0.300 1 773 74 74 TYR CE2 C 118.584 0.300 1 774 74 74 TYR N N 127.635 0.300 1 775 75 75 THR H H 7.845 0.030 1 776 75 75 THR HA H 4.719 0.030 1 777 75 75 THR HB H 3.556 0.030 1 778 75 75 THR HG2 H 0.864 0.030 1 779 75 75 THR C C 171.927 0.300 1 780 75 75 THR CA C 62.169 0.300 1 781 75 75 THR CB C 69.383 0.300 1 782 75 75 THR CG2 C 21.546 0.300 1 783 75 75 THR N N 125.529 0.300 1 784 76 76 VAL H H 8.936 0.030 1 785 76 76 VAL HA H 3.934 0.030 1 786 76 76 VAL HB H 2.001 0.030 1 787 76 76 VAL HG1 H 1.022 0.030 1 788 76 76 VAL HG2 H 0.950 0.030 1 789 76 76 VAL C C 174.526 0.300 1 790 76 76 VAL CA C 62.349 0.300 1 791 76 76 VAL CB C 32.250 0.300 1 792 76 76 VAL CG1 C 22.551 0.300 2 793 76 76 VAL CG2 C 21.721 0.300 2 794 76 76 VAL N N 129.281 0.300 1 795 77 77 ARG H H 8.255 0.030 1 796 77 77 ARG HA H 4.814 0.030 1 797 77 77 ARG HB2 H 1.638 0.030 2 798 77 77 ARG HB3 H 1.894 0.030 2 799 77 77 ARG HG2 H 1.421 0.030 2 800 77 77 ARG HG3 H 1.518 0.030 2 801 77 77 ARG HD2 H 3.133 0.030 1 802 77 77 ARG HD3 H 3.133 0.030 1 803 77 77 ARG HE H 7.194 0.030 1 804 77 77 ARG C C 176.056 0.300 1 805 77 77 ARG CA C 54.621 0.300 1 806 77 77 ARG CB C 32.067 0.300 1 807 77 77 ARG CG C 28.760 0.300 1 808 77 77 ARG CD C 43.241 0.300 1 809 77 77 ARG N N 125.128 0.300 1 810 77 77 ARG NE N 85.312 0.300 1 811 78 78 GLY H H 8.344 0.030 1 812 78 78 GLY HA2 H 4.033 0.030 2 813 78 78 GLY HA3 H 3.831 0.030 2 814 78 78 GLY C C 175.522 0.300 1 815 78 78 GLY CA C 46.085 0.300 1 816 78 78 GLY N N 106.495 0.300 1 817 79 79 LEU H H 7.964 0.030 1 818 79 79 LEU HA H 4.269 0.030 1 819 79 79 LEU HB2 H 1.388 0.030 2 820 79 79 LEU HB3 H 1.009 0.030 2 821 79 79 LEU HG H 1.186 0.030 1 822 79 79 LEU HD1 H 0.344 0.030 1 823 79 79 LEU HD2 H 0.232 0.030 1 824 79 79 LEU CA C 53.536 0.300 1 825 79 79 LEU CB C 41.189 0.300 1 826 79 79 LEU CG C 26.409 0.300 1 827 79 79 LEU CD1 C 26.667 0.300 2 828 79 79 LEU CD2 C 19.453 0.300 2 829 79 79 LEU N N 119.110 0.300 1 830 80 80 ARG H H 8.445 0.030 1 831 80 80 ARG HA H 4.618 0.030 1 832 80 80 ARG HB2 H 1.842 0.030 2 833 80 80 ARG HB3 H 1.804 0.030 2 834 80 80 ARG HG2 H 1.775 0.030 1 835 80 80 ARG HG3 H 1.775 0.030 1 836 80 80 ARG HD2 H 3.124 0.030 2 837 80 80 ARG HD3 H 3.064 0.030 2 838 80 80 ARG HE H 7.216 0.030 1 839 80 80 ARG C C 176.227 0.300 1 840 80 80 ARG CA C 54.197 0.300 1 841 80 80 ARG CB C 31.349 0.300 1 842 80 80 ARG CG C 26.990 0.300 1 843 80 80 ARG CD C 43.969 0.300 1 844 80 80 ARG N N 121.703 0.300 1 845 80 80 ARG NE N 127.964 0.300 1 846 81 81 PRO HA H 5.234 0.030 1 847 81 81 PRO HB2 H 2.505 0.030 2 848 81 81 PRO HB3 H 1.973 0.030 2 849 81 81 PRO HG2 H 2.034 0.030 2 850 81 81 PRO HG3 H 1.984 0.030 2 851 81 81 PRO HD2 H 3.637 0.030 2 852 81 81 PRO HD3 H 3.971 0.030 2 853 81 81 PRO CA C 63.113 0.300 1 854 81 81 PRO CB C 33.471 0.300 1 855 81 81 PRO CG C 27.167 0.300 1 856 81 81 PRO CD C 51.148 0.300 1 857 82 82 ASN H H 8.076 0.030 1 858 82 82 ASN HA H 4.399 0.030 1 859 82 82 ASN HB2 H 3.125 0.030 2 860 82 82 ASN HB3 H 2.444 0.030 2 861 82 82 ASN HD21 H 7.546 0.030 2 862 82 82 ASN HD22 H 6.895 0.030 2 863 82 82 ASN CA C 53.668 0.300 1 864 82 82 ASN CB C 38.349 0.300 1 865 82 82 ASN N N 123.672 0.300 1 866 82 82 ASN ND2 N 111.691 0.300 1 867 83 83 THR H H 8.343 0.030 1 868 83 83 THR HA H 4.292 0.030 1 869 83 83 THR HB H 3.785 0.030 1 870 83 83 THR HG2 H 0.466 0.030 1 871 83 83 THR C C 171.417 0.300 1 872 83 83 THR CA C 62.980 0.300 1 873 83 83 THR CB C 71.867 0.300 1 874 83 83 THR CG2 C 20.990 0.300 1 875 83 83 THR N N 115.766 0.300 1 876 84 84 ILE H H 8.366 0.030 1 877 84 84 ILE HA H 4.766 0.030 1 878 84 84 ILE HB H 1.614 0.030 1 879 84 84 ILE HG12 H 1.574 0.030 2 880 84 84 ILE HG13 H 0.843 0.030 2 881 84 84 ILE HG2 H 0.765 0.030 1 882 84 84 ILE HD1 H 0.843 0.030 1 883 84 84 ILE C C 175.935 0.300 1 884 84 84 ILE CA C 60.793 0.300 1 885 84 84 ILE CB C 37.855 0.300 1 886 84 84 ILE CG1 C 27.819 0.300 1 887 84 84 ILE CG2 C 17.897 0.300 1 888 84 84 ILE CD1 C 13.337 0.300 1 889 84 84 ILE N N 125.235 0.300 1 890 85 85 TYR H H 9.442 0.030 1 891 85 85 TYR HA H 5.107 0.030 1 892 85 85 TYR HB2 H 2.448 0.030 2 893 85 85 TYR HB3 H 2.162 0.030 2 894 85 85 TYR HD1 H 6.978 0.030 1 895 85 85 TYR HD2 H 6.978 0.030 1 896 85 85 TYR HE1 H 7.299 0.030 1 897 85 85 TYR HE2 H 7.299 0.030 1 898 85 85 TYR C C 174.842 0.300 1 899 85 85 TYR CA C 57.703 0.300 1 900 85 85 TYR CB C 45.371 0.300 1 901 85 85 TYR CD1 C 130.477 0.300 1 902 85 85 TYR CD2 C 130.477 0.300 1 903 85 85 TYR CE1 C 120.133 0.300 1 904 85 85 TYR CE2 C 120.133 0.300 1 905 85 85 TYR N N 129.044 0.300 1 906 86 86 LEU H H 8.387 0.030 1 907 86 86 LEU HA H 4.517 0.030 1 908 86 86 LEU HB2 H 1.710 0.030 2 909 86 86 LEU HB3 H 1.601 0.030 2 910 86 86 LEU HG H 1.644 0.030 1 911 86 86 LEU HD1 H 0.947 0.030 1 912 86 86 LEU HD2 H 1.021 0.030 1 913 86 86 LEU C C 175.255 0.300 1 914 86 86 LEU CA C 54.197 0.300 1 915 86 86 LEU CB C 46.995 0.300 1 916 86 86 LEU CG C 28.063 0.300 1 917 86 86 LEU CD1 C 25.743 0.300 2 918 86 86 LEU CD2 C 24.803 0.300 2 919 86 86 LEU N N 118.105 0.300 1 920 87 87 PHE H H 8.501 0.030 1 921 87 87 PHE HA H 6.155 0.030 1 922 87 87 PHE HB2 H 2.581 0.030 2 923 87 87 PHE HB3 H 3.013 0.030 2 924 87 87 PHE HD1 H 7.271 0.030 1 925 87 87 PHE HD2 H 7.271 0.030 1 926 87 87 PHE HE1 H 6.983 0.030 1 927 87 87 PHE HE2 H 6.983 0.030 1 928 87 87 PHE HZ H 6.616 0.030 1 929 87 87 PHE C C 175.158 0.300 1 930 87 87 PHE CA C 57.019 0.300 1 931 87 87 PHE CB C 44.407 0.300 1 932 87 87 PHE CD1 C 132.522 0.300 1 933 87 87 PHE CD2 C 132.522 0.300 1 934 87 87 PHE CE1 C 130.482 0.300 1 935 87 87 PHE CE2 C 130.482 0.300 1 936 87 87 PHE CZ C 128.778 0.300 1 937 87 87 PHE N N 114.914 0.300 1 938 88 88 MET H H 9.106 0.030 1 939 88 88 MET HA H 4.361 0.030 1 940 88 88 MET HB2 H 1.693 0.030 2 941 88 88 MET HB3 H 1.655 0.030 2 942 88 88 MET HG2 H 2.033 0.030 2 943 88 88 MET HG3 H 1.994 0.030 2 944 88 88 MET HE H 0.644 0.030 1 945 88 88 MET C C 172.534 0.300 1 946 88 88 MET CA C 55.863 0.300 1 947 88 88 MET CB C 36.769 0.300 1 948 88 88 MET CG C 31.336 0.300 1 949 88 88 MET CE C 14.870 0.300 1 950 88 88 MET N N 117.021 0.300 1 951 89 89 VAL H H 8.434 0.030 1 952 89 89 VAL HA H 4.969 0.030 1 953 89 89 VAL HB H 1.027 0.030 1 954 89 89 VAL HG1 H -0.044 0.030 1 955 89 89 VAL HG2 H -0.228 0.030 1 956 89 89 VAL C C 174.915 0.300 1 957 89 89 VAL CA C 59.947 0.300 1 958 89 89 VAL CB C 35.369 0.300 1 959 89 89 VAL CG1 C 20.057 0.300 2 960 89 89 VAL CG2 C 20.486 0.300 2 961 89 89 VAL N N 119.759 0.300 1 962 90 90 ARG H H 8.691 0.030 1 963 90 90 ARG HA H 4.463 0.030 1 964 90 90 ARG HB2 H 1.804 0.030 2 965 90 90 ARG HB3 H 1.341 0.030 2 966 90 90 ARG HG2 H 1.169 0.030 2 967 90 90 ARG HG3 H 1.432 0.030 2 968 90 90 ARG HD2 H 2.897 0.030 2 969 90 90 ARG HD3 H 3.049 0.030 2 970 90 90 ARG HE H 7.769 0.030 1 971 90 90 ARG C C 174.332 0.300 1 972 90 90 ARG CA C 54.268 0.300 1 973 90 90 ARG CB C 34.293 0.300 1 974 90 90 ARG CG C 28.219 0.300 1 975 90 90 ARG CD C 44.395 0.300 1 976 90 90 ARG N N 121.388 0.300 1 977 90 90 ARG NE N 85.364 0.300 1 978 91 91 ALA H H 9.008 0.030 1 979 91 91 ALA HA H 4.814 0.030 1 980 91 91 ALA HB H 1.372 0.030 1 981 91 91 ALA C C 175.546 0.300 1 982 91 91 ALA CA C 50.776 0.300 1 983 91 91 ALA CB C 22.175 0.300 1 984 91 91 ALA N N 124.150 0.300 1 985 92 92 ILE H H 8.483 0.030 1 986 92 92 ILE HA H 4.744 0.030 1 987 92 92 ILE HB H 1.372 0.030 1 988 92 92 ILE HG12 H 1.333 0.030 2 989 92 92 ILE HG13 H 0.849 0.030 2 990 92 92 ILE HG2 H 0.695 0.030 1 991 92 92 ILE HD1 H 0.667 0.030 1 992 92 92 ILE C C 174.356 0.300 1 993 92 92 ILE CA C 60.052 0.300 1 994 92 92 ILE CB C 41.382 0.300 1 995 92 92 ILE CG1 C 27.955 0.300 1 996 92 92 ILE CG2 C 16.829 0.300 1 997 92 92 ILE CD1 C 14.315 0.300 1 998 92 92 ILE N N 119.566 0.300 1 999 93 93 ASN H H 8.826 0.030 1 1000 93 93 ASN HA H 4.964 0.030 1 1001 93 93 ASN HB2 H 3.405 0.030 2 1002 93 93 ASN HB3 H 2.756 0.030 2 1003 93 93 ASN HD21 H 7.159 0.030 2 1004 93 93 ASN HD22 H 7.411 0.030 2 1005 93 93 ASN C C 174.089 0.300 1 1006 93 93 ASN CA C 51.517 0.300 1 1007 93 93 ASN CB C 40.146 0.300 1 1008 93 93 ASN N N 127.592 0.300 1 1009 93 93 ASN ND2 N 110.666 0.300 1 1010 94 94 PRO HA H 4.256 0.030 1 1011 94 94 PRO HB2 H 2.440 0.030 2 1012 94 94 PRO HB3 H 1.694 0.030 2 1013 94 94 PRO HG2 H 1.965 0.030 2 1014 94 94 PRO HG3 H 2.110 0.030 2 1015 94 94 PRO HD2 H 3.368 0.030 2 1016 94 94 PRO HD3 H 3.857 0.030 2 1017 94 94 PRO CA C 65.827 0.300 1 1018 94 94 PRO CB C 32.066 0.300 1 1019 94 94 PRO CG C 28.149 0.300 1 1020 94 94 PRO CD C 51.409 0.300 1 1021 95 95 GLN H H 7.996 0.030 1 1022 95 95 GLN HA H 4.294 0.030 1 1023 95 95 GLN HB2 H 2.056 0.030 1 1024 95 95 GLN HB3 H 2.056 0.030 1 1025 95 95 GLN HG2 H 2.231 0.030 1 1026 95 95 GLN HG3 H 2.231 0.030 1 1027 95 95 GLN HE21 H 7.404 0.030 2 1028 95 95 GLN HE22 H 6.671 0.030 2 1029 95 95 GLN C C 175.886 0.300 1 1030 95 95 GLN CA C 56.314 0.300 1 1031 95 95 GLN CB C 29.590 0.300 1 1032 95 95 GLN CG C 34.916 0.300 1 1033 95 95 GLN N N 113.096 0.300 1 1034 95 95 GLN NE2 N 111.104 0.300 1 1035 96 96 GLY H H 7.833 0.030 1 1036 96 96 GLY HA2 H 4.296 0.030 2 1037 96 96 GLY HA3 H 3.743 0.030 2 1038 96 96 GLY C C 169.863 0.300 1 1039 96 96 GLY CA C 45.527 0.300 1 1040 96 96 GLY N N 108.020 0.300 1 1041 97 97 LEU H H 7.973 0.030 1 1042 97 97 LEU HA H 5.085 0.030 1 1043 97 97 LEU HB2 H 1.551 0.030 2 1044 97 97 LEU HB3 H 1.512 0.030 2 1045 97 97 LEU HG H 1.685 0.030 1 1046 97 97 LEU HD1 H 0.816 0.030 1 1047 97 97 LEU HD2 H 0.787 0.030 1 1048 97 97 LEU C C 177.465 0.300 1 1049 97 97 LEU CA C 53.386 0.300 1 1050 97 97 LEU CB C 45.179 0.300 1 1051 97 97 LEU CG C 27.382 0.300 1 1052 97 97 LEU CD1 C 25.246 0.300 2 1053 97 97 LEU CD2 C 25.709 0.300 2 1054 97 97 LEU N N 120.194 0.300 1 1055 98 98 SER H H 9.157 0.030 1 1056 98 98 SER HA H 4.380 0.030 1 1057 98 98 SER HB2 H 4.130 0.030 2 1058 98 98 SER HB3 H 3.615 0.030 2 1059 98 98 SER C C 174.721 0.300 1 1060 98 98 SER CA C 58.297 0.300 1 1061 98 98 SER CB C 67.022 0.300 1 1062 98 98 SER N N 117.856 0.300 1 1063 99 99 ASP H H 8.990 0.030 1 1064 99 99 ASP HA H 4.703 0.030 1 1065 99 99 ASP HB2 H 2.383 0.030 2 1066 99 99 ASP HB3 H 2.843 0.030 2 1067 99 99 ASP CA C 53.915 0.300 1 1068 99 99 ASP CB C 39.093 0.300 1 1069 99 99 ASP N N 121.102 0.300 1 1070 100 100 PRO HA H 4.466 0.030 1 1071 100 100 PRO HB2 H 2.283 0.030 2 1072 100 100 PRO HB3 H 1.788 0.030 2 1073 100 100 PRO HG2 H 1.904 0.030 2 1074 100 100 PRO HG3 H 1.662 0.030 2 1075 100 100 PRO HD2 H 3.574 0.030 1 1076 100 100 PRO HD3 H 3.574 0.030 1 1077 100 100 PRO CA C 63.025 0.300 1 1078 100 100 PRO CB C 32.195 0.300 1 1079 100 100 PRO CG C 27.085 0.300 1 1080 100 100 PRO CD C 49.627 0.300 1 1081 101 101 SER H H 8.524 0.030 1 1082 101 101 SER HA H 4.574 0.030 1 1083 101 101 SER HB2 H 4.144 0.030 2 1084 101 101 SER HB3 H 3.483 0.030 2 1085 101 101 SER CA C 57.379 0.300 1 1086 101 101 SER CB C 63.869 0.300 1 1087 101 101 SER N N 115.592 0.300 1 1088 102 102 PRO HA H 4.521 0.030 1 1089 102 102 PRO HB2 H 2.560 0.030 2 1090 102 102 PRO HB3 H 1.497 0.030 2 1091 102 102 PRO HG2 H 2.130 0.030 2 1092 102 102 PRO HG3 H 2.084 0.030 2 1093 102 102 PRO HD2 H 3.978 0.030 2 1094 102 102 PRO HD3 H 3.427 0.030 2 1095 102 102 PRO CA C 63.190 0.300 1 1096 102 102 PRO CB C 31.922 0.300 1 1097 102 102 PRO CG C 28.403 0.300 1 1098 102 102 PRO CD C 50.270 0.300 1 1099 103 103 MET H H 8.436 0.030 1 1100 103 103 MET HA H 4.672 0.030 1 1101 103 103 MET HB2 H 2.274 0.030 2 1102 103 103 MET HB3 H 2.154 0.030 2 1103 103 103 MET HG2 H 2.782 0.030 2 1104 103 103 MET HG3 H 2.689 0.030 2 1105 103 103 MET HE H 2.138 0.030 1 1106 103 103 MET CA C 56.384 0.300 1 1107 103 103 MET CB C 34.458 0.300 1 1108 103 103 MET CG C 32.525 0.300 1 1109 103 103 MET CE C 17.343 0.300 1 1110 103 103 MET N N 122.311 0.300 1 1111 104 104 SER H H 9.316 0.030 1 1112 104 104 SER HA H 4.248 0.030 1 1113 104 104 SER HB2 H 4.564 0.030 2 1114 104 104 SER HB3 H 3.982 0.030 2 1115 104 104 SER C C 173.555 0.300 1 1116 104 104 SER CA C 58.880 0.300 1 1117 104 104 SER CB C 65.205 0.300 1 1118 104 104 SER N N 114.655 0.300 1 1119 105 105 ASP H H 8.803 0.030 1 1120 105 105 ASP HA H 4.893 0.030 1 1121 105 105 ASP HB2 H 2.511 0.030 2 1122 105 105 ASP HB3 H 2.892 0.030 2 1123 105 105 ASP C C 174.793 0.300 1 1124 105 105 ASP CA C 54.162 0.300 1 1125 105 105 ASP CB C 39.033 0.300 1 1126 105 105 ASP N N 119.669 0.300 1 1127 106 106 PRO HA H 4.719 0.030 1 1128 106 106 PRO HB2 H 2.105 0.030 2 1129 106 106 PRO HB3 H 1.844 0.030 2 1130 106 106 PRO HG2 H 2.193 0.030 2 1131 106 106 PRO HG3 H 2.074 0.030 2 1132 106 106 PRO HD2 H 3.756 0.030 2 1133 106 106 PRO HD3 H 3.912 0.030 2 1134 106 106 PRO CA C 63.272 0.300 1 1135 106 106 PRO CB C 31.608 0.300 1 1136 106 106 PRO CG C 27.579 0.300 1 1137 106 106 PRO CD C 49.920 0.300 1 1138 107 107 VAL H H 8.995 0.030 1 1139 107 107 VAL HA H 4.577 0.030 1 1140 107 107 VAL HB H 2.279 0.030 1 1141 107 107 VAL HG1 H 1.204 0.030 1 1142 107 107 VAL HG2 H 1.204 0.030 1 1143 107 107 VAL C C 172.243 0.300 1 1144 107 107 VAL CA C 60.050 0.300 1 1145 107 107 VAL CB C 35.259 0.300 1 1146 107 107 VAL CG1 C 21.388 0.300 1 1147 107 107 VAL CG2 C 21.388 0.300 1 1148 107 107 VAL N N 122.590 0.300 1 1149 108 108 ARG H H 8.421 0.030 1 1150 108 108 ARG HA H 5.294 0.030 1 1151 108 108 ARG HB2 H 1.775 0.030 2 1152 108 108 ARG HB3 H 1.517 0.030 2 1153 108 108 ARG HG2 H 1.109 0.030 2 1154 108 108 ARG HG3 H 1.754 0.030 2 1155 108 108 ARG HD2 H 3.051 0.030 2 1156 108 108 ARG HD3 H 3.155 0.030 2 1157 108 108 ARG HE H 7.031 0.030 1 1158 108 108 ARG C C 176.979 0.300 1 1159 108 108 ARG CA C 53.457 0.300 1 1160 108 108 ARG CB C 32.809 0.300 1 1161 108 108 ARG CG C 27.479 0.300 1 1162 108 108 ARG CD C 43.571 0.300 1 1163 108 108 ARG N N 127.469 0.300 1 1164 108 108 ARG NE N 127.395 0.300 1 1165 109 109 THR H H 9.052 0.030 1 1166 109 109 THR HA H 4.154 0.030 1 1167 109 109 THR HB H 4.728 0.030 1 1168 109 109 THR HG2 H 1.216 0.030 1 1169 109 109 THR C C 175.571 0.300 1 1170 109 109 THR CA C 61.573 0.300 1 1171 109 109 THR CB C 68.604 0.300 1 1172 109 109 THR CG2 C 24.117 0.300 1 1173 109 109 THR N N 117.523 0.300 1 1174 110 110 GLN H H 7.172 0.030 1 1175 110 110 GLN HA H 4.290 0.030 1 1176 110 110 GLN HB2 H 2.262 0.030 2 1177 110 110 GLN HB3 H 1.667 0.030 2 1178 110 110 GLN HG2 H 2.243 0.030 2 1179 110 110 GLN HG3 H 2.383 0.030 2 1180 110 110 GLN HE21 H 6.843 0.030 2 1181 110 110 GLN HE22 H 7.484 0.030 2 1182 110 110 GLN C C 174.696 0.300 1 1183 110 110 GLN CA C 55.639 0.300 1 1184 110 110 GLN CB C 29.959 0.300 1 1185 110 110 GLN CG C 33.709 0.300 1 1186 110 110 GLN N N 119.019 0.300 1 1187 110 110 GLN NE2 N 111.709 0.300 1 1188 111 111 ASP H H 8.397 0.030 1 1189 111 111 ASP HA H 4.743 0.030 1 1190 111 111 ASP HB2 H 2.724 0.030 2 1191 111 111 ASP HB3 H 2.643 0.030 2 1192 111 111 ASP C C 176.275 0.300 1 1193 111 111 ASP CA C 53.880 0.300 1 1194 111 111 ASP CB C 42.089 0.300 1 1195 111 111 ASP N N 118.999 0.300 1 1196 112 112 SER H H 8.514 0.030 1 1197 112 112 SER HA H 4.399 0.030 1 1198 112 112 SER HB2 H 3.924 0.030 2 1199 112 112 SER HB3 H 3.847 0.030 2 1200 112 112 SER C C 174.745 0.300 1 1201 112 112 SER CA C 58.642 0.300 1 1202 112 112 SER CB C 64.133 0.300 1 1203 112 112 SER N N 115.530 0.300 1 1204 113 113 GLY H H 8.253 0.030 1 1205 113 113 GLY HA2 H 4.153 0.030 1 1206 113 113 GLY HA3 H 4.153 0.030 1 1207 113 113 GLY C C 171.830 0.300 1 1208 113 113 GLY CA C 44.710 0.300 1 1209 113 113 GLY N N 110.543 0.300 1 1210 114 114 PRO HA H 4.505 0.030 1 1211 114 114 PRO HB2 H 2.322 0.030 2 1212 114 114 PRO HB3 H 1.990 0.030 2 1213 114 114 PRO HD2 H 3.639 0.030 1 1214 114 114 PRO HD3 H 3.639 0.030 1 1215 114 114 PRO CA C 63.272 0.300 1 1216 114 114 PRO CB C 32.278 0.300 1 1217 114 114 PRO CG C 27.167 0.300 1 1218 114 114 PRO CD C 49.753 0.300 1 1219 115 115 SER H H 8.538 0.030 1 1220 115 115 SER HA H 4.529 0.030 1 1221 115 115 SER HB2 H 3.912 0.030 1 1222 115 115 SER HB3 H 3.912 0.030 1 1223 115 115 SER C C 174.648 0.300 1 1224 115 115 SER CA C 58.395 0.300 1 1225 115 115 SER CB C 63.886 0.300 1 1226 115 115 SER N N 116.516 0.300 1 1227 116 116 SER H H 8.350 0.030 1 1228 116 116 SER HA H 4.505 0.030 1 1229 116 116 SER HB2 H 3.888 0.030 1 1230 116 116 SER HB3 H 3.888 0.030 1 1231 116 116 SER C C 173.968 0.300 1 1232 116 116 SER CA C 58.359 0.300 1 1233 116 116 SER CB C 64.394 0.300 1 1234 116 116 SER N N 117.898 0.300 1 1235 117 117 GLY H H 8.066 0.030 1 1236 117 117 GLY HA2 H 3.774 0.030 1 1237 117 117 GLY HA3 H 3.774 0.030 1 1238 117 117 GLY CA C 46.226 0.300 1 1239 117 117 GLY N N 116.927 0.300 1 stop_ save_