data_10102 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the second fibronectin Type III domain of human KIAA1568 protein ; _BMRB_accession_number 10102 _BMRB_flat_file_name bmr10102.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 Tochio N. . . 2 Koshiba S. . . 3 Kigawa T. . . 4 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" 671 "13C chemical shifts" 499 "15N chemical shifts" 126 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 second 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 Tochio N. . . 2 Koshiba S. . . 3 Kigawa T. . . 4 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 'FN3 domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 120 _Mol_residue_sequence ; GSSGSSGRQVQKELGDVLVR LHNPVVLTPTTVQVTWTVDR QPQFIQGYRVMYRQTSGLQA TSSWQNLDAKVPTERSAVLV NLKKGVTYEIKVRPYFNEFQ GMDSESKTVRTTEESGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ARG 9 GLN 10 VAL 11 GLN 12 LYS 13 GLU 14 LEU 15 GLY 16 ASP 17 VAL 18 LEU 19 VAL 20 ARG 21 LEU 22 HIS 23 ASN 24 PRO 25 VAL 26 VAL 27 LEU 28 THR 29 PRO 30 THR 31 THR 32 VAL 33 GLN 34 VAL 35 THR 36 TRP 37 THR 38 VAL 39 ASP 40 ARG 41 GLN 42 PRO 43 GLN 44 PHE 45 ILE 46 GLN 47 GLY 48 TYR 49 ARG 50 VAL 51 MET 52 TYR 53 ARG 54 GLN 55 THR 56 SER 57 GLY 58 LEU 59 GLN 60 ALA 61 THR 62 SER 63 SER 64 TRP 65 GLN 66 ASN 67 LEU 68 ASP 69 ALA 70 LYS 71 VAL 72 PRO 73 THR 74 GLU 75 ARG 76 SER 77 ALA 78 VAL 79 LEU 80 VAL 81 ASN 82 LEU 83 LYS 84 LYS 85 GLY 86 VAL 87 THR 88 TYR 89 GLU 90 ILE 91 LYS 92 VAL 93 ARG 94 PRO 95 TYR 96 PHE 97 ASN 98 GLU 99 PHE 100 GLN 101 GLY 102 MET 103 ASP 104 SER 105 GLU 106 SER 107 LYS 108 THR 109 VAL 110 ARG 111 THR 112 THR 113 GLU 114 GLU 115 SER 116 GLY 117 PRO 118 SER 119 SER 120 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 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 1UJT "Solution Structure Of The Second Fibronectin Type Iii Domain Of Human Kiaa1568 Protein" 100.00 120 100.00 100.00 1.62e-80 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' . . . . plasmid P021007-59 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 1.0 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 xwinnmr _Version 3.1 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRPipe _Version 200204025 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_4 _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_5 _Saveframe_category software _Name Kujira _Version 0.816 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_6 _Saveframe_category software _Name CYANA _Version 2.0.17 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 Bruker _Model AVANCE _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 600 _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_2D_TROSY_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TROSY HNCO' _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_ save_2D_TROSY_HNCO _Saveframe_category NMR_applied_experiment _Experiment_name '2D TROSY HNCO' _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' '2D TROSY HNCO' 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 6 6 SER HA H 4.444 0.030 1 2 7 7 GLY H H 8.443 0.030 1 3 7 7 GLY HA2 H 3.950 0.030 2 4 7 7 GLY HA3 H 3.832 0.030 2 5 7 7 GLY C C 174.832 0.300 1 6 7 7 GLY CA C 46.199 0.300 1 7 7 7 GLY N N 110.784 0.300 1 8 8 8 ARG H H 8.111 0.030 1 9 8 8 ARG HA H 4.137 0.030 1 10 8 8 ARG HB2 H 1.780 0.030 1 11 8 8 ARG HB3 H 1.780 0.030 1 12 8 8 ARG HG2 H 1.647 0.030 2 13 8 8 ARG HG3 H 1.582 0.030 2 14 8 8 ARG HD2 H 3.163 0.030 1 15 8 8 ARG HD3 H 3.163 0.030 1 16 8 8 ARG HE H 7.362 0.030 1 17 8 8 ARG C C 177.673 0.300 1 18 8 8 ARG CA C 57.453 0.300 1 19 8 8 ARG CB C 30.256 0.300 1 20 8 8 ARG CG C 27.208 0.300 1 21 8 8 ARG CD C 43.386 0.300 1 22 8 8 ARG N N 120.330 0.300 1 23 8 8 ARG NE N 84.531 0.300 1 24 9 9 GLN H H 8.216 0.030 1 25 9 9 GLN HA H 4.110 0.030 1 26 9 9 GLN HB2 H 1.962 0.030 1 27 9 9 GLN HB3 H 1.962 0.030 1 28 9 9 GLN HG2 H 2.326 0.030 1 29 9 9 GLN HG3 H 2.326 0.030 1 30 9 9 GLN HE21 H 7.694 0.030 2 31 9 9 GLN HE22 H 6.673 0.030 2 32 9 9 GLN C C 177.284 0.300 1 33 9 9 GLN CA C 57.453 0.300 1 34 9 9 GLN CB C 28.230 0.300 1 35 9 9 GLN CG C 33.560 0.300 1 36 9 9 GLN N N 120.973 0.300 1 37 9 9 GLN NE2 N 112.462 0.300 1 38 10 10 VAL H H 7.731 0.030 1 39 10 10 VAL HA H 3.361 0.030 1 40 10 10 VAL HB H 1.572 0.030 1 41 10 10 VAL HG1 H 0.429 0.030 1 42 10 10 VAL HG2 H 0.397 0.030 1 43 10 10 VAL C C 177.090 0.300 1 44 10 10 VAL CA C 65.188 0.300 1 45 10 10 VAL CB C 31.520 0.300 1 46 10 10 VAL CG1 C 21.082 0.300 2 47 10 10 VAL CG2 C 21.268 0.300 2 48 10 10 VAL N N 120.205 0.300 1 49 11 11 GLN H H 7.949 0.030 1 50 11 11 GLN HA H 3.727 0.030 1 51 11 11 GLN HB2 H 1.922 0.030 2 52 11 11 GLN HB3 H 1.802 0.030 2 53 11 11 GLN HG2 H 2.097 0.030 1 54 11 11 GLN HG3 H 2.097 0.030 1 55 11 11 GLN HE21 H 7.214 0.030 2 56 11 11 GLN HE22 H 6.683 0.030 2 57 11 11 GLN C C 178.304 0.300 1 58 11 11 GLN CA C 58.682 0.300 1 59 11 11 GLN CB C 28.615 0.300 1 60 11 11 GLN CG C 34.242 0.300 1 61 11 11 GLN N N 118.817 0.300 1 62 11 11 GLN NE2 N 112.121 0.300 1 63 12 12 LYS H H 7.864 0.030 1 64 12 12 LYS HA H 4.003 0.030 1 65 12 12 LYS HB2 H 1.848 0.030 1 66 12 12 LYS HB3 H 1.848 0.030 1 67 12 12 LYS HG2 H 1.436 0.030 2 68 12 12 LYS HG3 H 1.378 0.030 2 69 12 12 LYS HD2 H 1.632 0.030 1 70 12 12 LYS HD3 H 1.632 0.030 1 71 12 12 LYS HE2 H 2.936 0.030 1 72 12 12 LYS HE3 H 2.936 0.030 1 73 12 12 LYS C C 178.547 0.300 1 74 12 12 LYS CA C 58.786 0.300 1 75 12 12 LYS CB C 32.346 0.300 1 76 12 12 LYS CG C 24.816 0.300 1 77 12 12 LYS CD C 28.999 0.300 1 78 12 12 LYS CE C 41.748 0.300 1 79 12 12 LYS N N 120.984 0.300 1 80 13 13 GLU H H 8.038 0.030 1 81 13 13 GLU HA H 4.103 0.030 1 82 13 13 GLU HB2 H 2.050 0.030 1 83 13 13 GLU HB3 H 2.050 0.030 1 84 13 13 GLU HG2 H 2.384 0.030 2 85 13 13 GLU HG3 H 2.215 0.030 2 86 13 13 GLU C C 179.445 0.300 1 87 13 13 GLU CA C 59.394 0.300 1 88 13 13 GLU CB C 29.740 0.300 1 89 13 13 GLU CG C 37.230 0.300 1 90 13 13 GLU N N 118.780 0.300 1 91 14 14 LEU H H 8.354 0.030 1 92 14 14 LEU HA H 4.097 0.030 1 93 14 14 LEU HB2 H 1.680 0.030 2 94 14 14 LEU HB3 H 1.576 0.030 2 95 14 14 LEU HG H 1.585 0.030 1 96 14 14 LEU HD1 H 0.796 0.030 1 97 14 14 LEU HD2 H 0.759 0.030 1 98 14 14 LEU C C 178.911 0.300 1 99 14 14 LEU CA C 57.219 0.300 1 100 14 14 LEU CB C 42.065 0.300 1 101 14 14 LEU CG C 26.974 0.300 1 102 14 14 LEU CD1 C 25.121 0.300 2 103 14 14 LEU CD2 C 25.160 0.300 2 104 14 14 LEU N N 119.226 0.300 1 105 15 15 GLY H H 7.963 0.030 1 106 15 15 GLY HA2 H 4.052 0.030 2 107 15 15 GLY HA3 H 3.930 0.030 2 108 15 15 GLY C C 173.473 0.300 1 109 15 15 GLY CA C 46.290 0.300 1 110 15 15 GLY N N 105.826 0.300 1 111 16 16 ASP H H 7.472 0.030 1 112 16 16 ASP HA H 4.830 0.030 1 113 16 16 ASP HB2 H 2.746 0.030 2 114 16 16 ASP HB3 H 2.680 0.030 2 115 16 16 ASP C C 176.313 0.300 1 116 16 16 ASP CA C 54.219 0.300 1 117 16 16 ASP CB C 41.979 0.300 1 118 16 16 ASP N N 118.298 0.300 1 119 17 17 VAL H H 7.358 0.030 1 120 17 17 VAL HA H 3.964 0.030 1 121 17 17 VAL HB H 2.222 0.030 1 122 17 17 VAL HG1 H 1.136 0.030 1 123 17 17 VAL HG2 H 1.031 0.030 1 124 17 17 VAL C C 174.832 0.300 1 125 17 17 VAL CA C 63.549 0.300 1 126 17 17 VAL CB C 32.057 0.300 1 127 17 17 VAL CG1 C 22.754 0.300 2 128 17 17 VAL CG2 C 21.816 0.300 2 129 17 17 VAL N N 119.380 0.300 1 130 18 18 LEU H H 8.683 0.030 1 131 18 18 LEU HA H 4.665 0.030 1 132 18 18 LEU HB2 H 1.644 0.030 2 133 18 18 LEU HB3 H 1.563 0.030 2 134 18 18 LEU HG H 1.529 0.030 1 135 18 18 LEU HD1 H 0.951 0.030 1 136 18 18 LEU HD2 H 0.886 0.030 1 137 18 18 LEU C C 174.918 0.300 1 138 18 18 LEU CA C 54.004 0.300 1 139 18 18 LEU CB C 43.367 0.300 1 140 18 18 LEU CG C 27.332 0.300 1 141 18 18 LEU CD1 C 24.476 0.300 2 142 18 18 LEU CD2 C 24.634 0.300 2 143 18 18 LEU N N 131.400 0.300 1 144 19 19 VAL H H 8.621 0.030 1 145 19 19 VAL HA H 4.641 0.030 1 146 19 19 VAL HB H 1.928 0.030 1 147 19 19 VAL HG1 H 0.965 0.030 1 148 19 19 VAL HG2 H 0.686 0.030 1 149 19 19 VAL C C 174.857 0.300 1 150 19 19 VAL CA C 61.195 0.300 1 151 19 19 VAL CB C 32.859 0.300 1 152 19 19 VAL CG1 C 22.285 0.300 2 153 19 19 VAL CG2 C 22.050 0.300 2 154 19 19 VAL N N 126.337 0.300 1 155 20 20 ARG H H 8.766 0.030 1 156 20 20 ARG HA H 4.687 0.030 1 157 20 20 ARG HB2 H 1.734 0.030 1 158 20 20 ARG HB3 H 1.734 0.030 1 159 20 20 ARG HG2 H 1.573 0.030 2 160 20 20 ARG HG3 H 1.499 0.030 2 161 20 20 ARG HD2 H 3.187 0.030 2 162 20 20 ARG HD3 H 3.169 0.030 2 163 20 20 ARG C C 174.662 0.300 1 164 20 20 ARG CA C 54.196 0.300 1 165 20 20 ARG CB C 31.429 0.300 1 166 20 20 ARG CG C 27.443 0.300 1 167 20 20 ARG CD C 43.386 0.300 1 168 20 20 ARG N N 126.599 0.300 1 169 21 21 LEU H H 9.008 0.030 1 170 21 21 LEU HA H 4.622 0.030 1 171 21 21 LEU HB2 H 1.991 0.030 2 172 21 21 LEU HB3 H 1.472 0.030 2 173 21 21 LEU HG H 1.982 0.030 1 174 21 21 LEU HD1 H 0.978 0.030 1 175 21 21 LEU HD2 H 1.065 0.030 1 176 21 21 LEU C C 177.357 0.300 1 177 21 21 LEU CA C 54.373 0.300 1 178 21 21 LEU CB C 44.187 0.300 1 179 21 21 LEU CG C 26.999 0.300 1 180 21 21 LEU CD1 C 27.540 0.300 2 181 21 21 LEU CD2 C 25.469 0.300 2 182 21 21 LEU N N 126.648 0.300 1 183 22 22 HIS H H 8.289 0.030 1 184 22 22 HIS HA H 4.861 0.030 1 185 22 22 HIS HB2 H 3.193 0.030 1 186 22 22 HIS HB3 H 3.193 0.030 1 187 22 22 HIS HD2 H 6.812 0.030 1 188 22 22 HIS HE1 H 7.888 0.030 1 189 22 22 HIS C C 175.973 0.300 1 190 22 22 HIS CA C 54.638 0.300 1 191 22 22 HIS CB C 30.191 0.300 1 192 22 22 HIS CD2 C 119.373 0.300 1 193 22 22 HIS CE1 C 137.549 0.300 1 194 22 22 HIS N N 123.930 0.300 1 195 23 23 ASN H H 9.027 0.030 1 196 23 23 ASN HA H 4.784 0.030 1 197 23 23 ASN HB2 H 2.887 0.030 2 198 23 23 ASN HB3 H 2.791 0.030 2 199 23 23 ASN HD21 H 7.776 0.030 2 200 23 23 ASN HD22 H 7.104 0.030 2 201 23 23 ASN C C 174.784 0.300 1 202 23 23 ASN CA C 52.275 0.300 1 203 23 23 ASN CB C 37.023 0.300 1 204 23 23 ASN N N 122.023 0.300 1 205 23 23 ASN ND2 N 113.132 0.300 1 206 24 24 PRO HA H 4.848 0.030 1 207 24 24 PRO HB2 H 2.072 0.030 2 208 24 24 PRO HB3 H 1.583 0.030 2 209 24 24 PRO HD2 H 4.212 0.030 2 210 24 24 PRO HD3 H 3.818 0.030 2 211 24 24 PRO C C 174.832 0.300 1 212 24 24 PRO CA C 62.823 0.300 1 213 24 24 PRO CB C 32.681 0.300 1 214 24 24 PRO CG C 27.094 0.300 1 215 24 24 PRO CD C 51.230 0.300 1 216 25 25 VAL H H 8.528 0.030 1 217 25 25 VAL HA H 4.336 0.030 1 218 25 25 VAL HB H 1.949 0.030 1 219 25 25 VAL HG1 H 0.989 0.030 1 220 25 25 VAL HG2 H 0.861 0.030 1 221 25 25 VAL C C 175.075 0.300 1 222 25 25 VAL CA C 61.205 0.300 1 223 25 25 VAL CB C 35.649 0.300 1 224 25 25 VAL CG1 C 21.257 0.300 2 225 25 25 VAL CG2 C 20.972 0.300 2 226 25 25 VAL N N 121.590 0.300 1 227 26 26 VAL H H 8.953 0.030 1 228 26 26 VAL HA H 3.964 0.030 1 229 26 26 VAL HB H 2.056 0.030 1 230 26 26 VAL HG1 H 0.981 0.030 1 231 26 26 VAL HG2 H 0.917 0.030 1 232 26 26 VAL C C 175.998 0.300 1 233 26 26 VAL CA C 63.784 0.300 1 234 26 26 VAL CB C 31.577 0.300 1 235 26 26 VAL CG1 C 22.519 0.300 2 236 26 26 VAL CG2 C 22.050 0.300 2 237 26 26 VAL N N 128.709 0.300 1 238 27 27 LEU H H 8.495 0.030 1 239 27 27 LEU HA H 4.406 0.030 1 240 27 27 LEU HB2 H 1.994 0.030 2 241 27 27 LEU HB3 H 1.411 0.030 2 242 27 27 LEU HG H 1.617 0.030 1 243 27 27 LEU HD1 H 0.842 0.030 1 244 27 27 LEU HD2 H 0.766 0.030 1 245 27 27 LEU C C 177.624 0.300 1 246 27 27 LEU CA C 56.515 0.300 1 247 27 27 LEU CB C 42.767 0.300 1 248 27 27 LEU CG C 26.505 0.300 1 249 27 27 LEU CD1 C 26.226 0.300 2 250 27 27 LEU CD2 C 22.004 0.300 2 251 27 27 LEU N N 130.413 0.300 1 252 28 28 THR H H 8.387 0.030 1 253 28 28 THR HA H 4.841 0.030 1 254 28 28 THR HB H 4.662 0.030 1 255 28 28 THR HG2 H 1.157 0.030 1 256 28 28 THR C C 171.725 0.300 1 257 28 28 THR CA C 59.138 0.300 1 258 28 28 THR CB C 70.021 0.300 1 259 28 28 THR N N 112.242 0.300 1 260 29 29 PRO HA H 4.323 0.030 1 261 29 29 PRO HB2 H 2.417 0.030 2 262 29 29 PRO HB3 H 1.792 0.030 2 263 29 29 PRO HG2 H 2.109 0.030 2 264 29 29 PRO HG3 H 1.876 0.030 2 265 29 29 PRO HD2 H 3.908 0.030 2 266 29 29 PRO HD3 H 3.688 0.030 2 267 29 29 PRO C C 174.055 0.300 1 268 29 29 PRO CA C 65.743 0.300 1 269 29 29 PRO CB C 32.791 0.300 1 270 29 29 PRO CG C 28.157 0.300 1 271 29 29 PRO CD C 50.546 0.300 1 272 30 30 THR H H 7.062 0.030 1 273 30 30 THR HA H 4.537 0.030 1 274 30 30 THR HB H 4.654 0.030 1 275 30 30 THR HG2 H 1.124 0.030 1 276 30 30 THR C C 174.492 0.300 1 277 30 30 THR CA C 59.449 0.300 1 278 30 30 THR CB C 70.985 0.300 1 279 30 30 THR CG2 C 21.347 0.300 1 280 30 30 THR N N 97.474 0.300 1 281 31 31 THR H H 7.609 0.030 1 282 31 31 THR HA H 5.569 0.030 1 283 31 31 THR HB H 3.900 0.030 1 284 31 31 THR HG2 H 1.129 0.030 1 285 31 31 THR C C 173.376 0.300 1 286 31 31 THR CA C 60.267 0.300 1 287 31 31 THR CB C 72.492 0.300 1 288 31 31 THR CG2 C 23.222 0.300 1 289 31 31 THR N N 112.786 0.300 1 290 32 32 VAL H H 8.426 0.030 1 291 32 32 VAL HA H 4.824 0.030 1 292 32 32 VAL HB H 1.523 0.030 1 293 32 32 VAL HG1 H 0.667 0.030 1 294 32 32 VAL HG2 H 0.686 0.030 1 295 32 32 VAL C C 173.206 0.300 1 296 32 32 VAL CA C 59.297 0.300 1 297 32 32 VAL CB C 37.758 0.300 1 298 32 32 VAL CG1 C 23.186 0.300 2 299 32 32 VAL CG2 C 22.220 0.300 2 300 32 32 VAL N N 122.615 0.300 1 301 33 33 GLN H H 9.617 0.030 1 302 33 33 GLN HA H 4.996 0.030 1 303 33 33 GLN HB2 H 2.124 0.030 2 304 33 33 GLN HB3 H 1.932 0.030 2 305 33 33 GLN HG2 H 2.122 0.030 2 306 33 33 GLN HG3 H 2.072 0.030 2 307 33 33 GLN HE21 H 7.097 0.030 2 308 33 33 GLN HE22 H 6.704 0.030 2 309 33 33 GLN C C 174.541 0.300 1 310 33 33 GLN CA C 54.818 0.300 1 311 33 33 GLN CB C 31.663 0.300 1 312 33 33 GLN CG C 34.007 0.300 1 313 33 33 GLN N N 127.219 0.300 1 314 33 33 GLN NE2 N 110.846 0.300 1 315 34 34 VAL H H 9.217 0.030 1 316 34 34 VAL HA H 4.902 0.030 1 317 34 34 VAL HB H 2.109 0.030 1 318 34 34 VAL HG1 H 1.021 0.030 1 319 34 34 VAL HG2 H 0.946 0.030 1 320 34 34 VAL C C 174.541 0.300 1 321 34 34 VAL CA C 59.920 0.300 1 322 34 34 VAL CB C 34.476 0.300 1 323 34 34 VAL CG1 C 22.285 0.300 2 324 34 34 VAL CG2 C 21.581 0.300 2 325 34 34 VAL N N 127.308 0.300 1 326 35 35 THR H H 9.096 0.030 1 327 35 35 THR HA H 5.023 0.030 1 328 35 35 THR HB H 3.978 0.030 1 329 35 35 THR HG2 H 0.974 0.030 1 330 35 35 THR C C 172.939 0.300 1 331 35 35 THR CA C 60.575 0.300 1 332 35 35 THR CB C 72.461 0.300 1 333 35 35 THR CG2 C 21.581 0.300 1 334 35 35 THR N N 118.139 0.300 1 335 36 36 TRP H H 7.929 0.030 1 336 36 36 TRP HA H 5.334 0.030 1 337 36 36 TRP HB2 H 3.073 0.030 2 338 36 36 TRP HB3 H 2.917 0.030 2 339 36 36 TRP HD1 H 6.176 0.030 1 340 36 36 TRP HE1 H 6.453 0.030 1 341 36 36 TRP HE3 H 6.832 0.030 1 342 36 36 TRP HZ2 H 6.772 0.030 1 343 36 36 TRP HH2 H 6.577 0.030 1 344 36 36 TRP C C 173.546 0.300 1 345 36 36 TRP CA C 55.649 0.300 1 346 36 36 TRP CB C 32.316 0.300 1 347 36 36 TRP CD1 C 124.590 0.300 1 348 36 36 TRP CE3 C 120.457 0.300 1 349 36 36 TRP CZ2 C 113.758 0.300 1 350 36 36 TRP CZ3 C 121.626 0.300 1 351 36 36 TRP CH2 C 124.129 0.300 1 352 36 36 TRP N N 119.204 0.300 1 353 36 36 TRP NE1 N 122.743 0.300 1 354 37 37 THR H H 8.974 0.030 1 355 37 37 THR HA H 4.612 0.030 1 356 37 37 THR HB H 4.145 0.030 1 357 37 37 THR HG2 H 1.203 0.030 1 358 37 37 THR C C 173.206 0.300 1 359 37 37 THR CA C 60.793 0.300 1 360 37 37 THR CB C 71.945 0.300 1 361 37 37 THR CG2 C 21.713 0.300 1 362 37 37 THR N N 112.131 0.300 1 363 38 38 VAL H H 8.250 0.030 1 364 38 38 VAL HA H 4.938 0.030 1 365 38 38 VAL HB H 2.013 0.030 1 366 38 38 VAL HG1 H 1.067 0.030 1 367 38 38 VAL HG2 H 0.965 0.030 1 368 38 38 VAL C C 175.682 0.300 1 369 38 38 VAL CA C 60.704 0.300 1 370 38 38 VAL CB C 35.183 0.300 1 371 38 38 VAL CG1 C 22.285 0.300 2 372 38 38 VAL CG2 C 20.936 0.300 2 373 38 38 VAL N N 120.857 0.300 1 374 39 39 ASP H H 8.882 0.030 1 375 39 39 ASP HA H 4.564 0.030 1 376 39 39 ASP HB2 H 2.755 0.030 1 377 39 39 ASP HB3 H 2.755 0.030 1 378 39 39 ASP C C 175.464 0.300 1 379 39 39 ASP CA C 55.762 0.300 1 380 39 39 ASP CB C 41.647 0.300 1 381 39 39 ASP N N 126.819 0.300 1 382 40 40 ARG H H 7.952 0.030 1 383 40 40 ARG HA H 4.317 0.030 1 384 40 40 ARG HB2 H 1.834 0.030 1 385 40 40 ARG HB3 H 1.834 0.030 1 386 40 40 ARG HG2 H 1.512 0.030 2 387 40 40 ARG HG3 H 1.435 0.030 2 388 40 40 ARG HD2 H 3.187 0.030 2 389 40 40 ARG HD3 H 3.169 0.030 2 390 40 40 ARG C C 174.104 0.300 1 391 40 40 ARG CA C 55.109 0.300 1 392 40 40 ARG CB C 30.725 0.300 1 393 40 40 ARG CG C 26.505 0.300 1 394 40 40 ARG CD C 43.386 0.300 1 395 40 40 ARG N N 117.216 0.300 1 396 41 41 GLN H H 8.553 0.030 1 397 41 41 GLN HA H 4.515 0.030 1 398 41 41 GLN HB2 H 2.007 0.030 2 399 41 41 GLN HB3 H 1.941 0.030 2 400 41 41 GLN HG2 H 2.329 0.030 2 401 41 41 GLN HG3 H 2.200 0.030 2 402 41 41 GLN HE21 H 7.652 0.030 2 403 41 41 GLN HE22 H 6.864 0.030 2 404 41 41 GLN C C 173.885 0.300 1 405 41 41 GLN CA C 53.519 0.300 1 406 41 41 GLN CB C 29.389 0.300 1 407 41 41 GLN CG C 33.539 0.300 1 408 41 41 GLN N N 121.266 0.300 1 409 41 41 GLN NE2 N 112.397 0.300 1 410 42 42 PRO HA H 4.491 0.030 1 411 42 42 PRO HB2 H 2.163 0.030 2 412 42 42 PRO HB3 H 1.657 0.030 2 413 42 42 PRO HG2 H 1.816 0.030 2 414 42 42 PRO HG3 H 1.704 0.030 2 415 42 42 PRO HD2 H 4.039 0.030 2 416 42 42 PRO HD3 H 3.453 0.030 2 417 42 42 PRO C C 176.235 0.300 1 418 42 42 PRO CA C 62.414 0.300 1 419 42 42 PRO CB C 32.621 0.300 1 420 42 42 PRO CG C 27.369 0.300 1 421 42 42 PRO CD C 50.638 0.300 1 422 43 43 GLN H H 9.245 0.030 1 423 43 43 GLN HA H 3.965 0.030 1 424 43 43 GLN HB2 H 1.719 0.030 2 425 43 43 GLN HB3 H 1.585 0.030 2 426 43 43 GLN HG2 H 2.030 0.030 2 427 43 43 GLN HG3 H 1.832 0.030 2 428 43 43 GLN HE21 H 7.374 0.030 2 429 43 43 GLN HE22 H 6.777 0.030 2 430 43 43 GLN C C 176.313 0.300 1 431 43 43 GLN CA C 57.616 0.300 1 432 43 43 GLN CB C 29.318 0.300 1 433 43 43 GLN CG C 33.539 0.300 1 434 43 43 GLN N N 120.489 0.300 1 435 43 43 GLN NE2 N 112.213 0.300 1 436 44 44 PHE H H 7.966 0.030 1 437 44 44 PHE HA H 4.415 0.030 1 438 44 44 PHE HB2 H 2.557 0.030 2 439 44 44 PHE HB3 H 2.235 0.030 2 440 44 44 PHE HD1 H 6.865 0.030 1 441 44 44 PHE HD2 H 6.865 0.030 1 442 44 44 PHE HE1 H 7.149 0.030 1 443 44 44 PHE HE2 H 7.149 0.030 1 444 44 44 PHE HZ H 7.128 0.030 1 445 44 44 PHE C C 174.055 0.300 1 446 44 44 PHE CA C 56.750 0.300 1 447 44 44 PHE CB C 38.441 0.300 1 448 44 44 PHE CD1 C 131.967 0.300 1 449 44 44 PHE CD2 C 131.967 0.300 1 450 44 44 PHE CE1 C 131.234 0.300 1 451 44 44 PHE CE2 C 131.234 0.300 1 452 44 44 PHE CZ C 129.736 0.300 1 453 44 44 PHE N N 115.853 0.300 1 454 45 45 ILE H H 7.190 0.030 1 455 45 45 ILE HA H 3.940 0.030 1 456 45 45 ILE HB H 1.668 0.030 1 457 45 45 ILE HG12 H 1.322 0.030 2 458 45 45 ILE HG13 H 0.927 0.030 2 459 45 45 ILE HG2 H 0.689 0.030 1 460 45 45 ILE HD1 H 0.686 0.030 1 461 45 45 ILE C C 174.250 0.300 1 462 45 45 ILE CA C 61.512 0.300 1 463 45 45 ILE CB C 39.368 0.300 1 464 45 45 ILE CG1 C 28.471 0.300 1 465 45 45 ILE CG2 C 17.294 0.300 1 466 45 45 ILE CD1 C 14.000 0.300 1 467 45 45 ILE N N 117.170 0.300 1 468 46 46 GLN H H 8.538 0.030 1 469 46 46 GLN HA H 4.383 0.030 1 470 46 46 GLN HB2 H 1.885 0.030 2 471 46 46 GLN HB3 H 1.852 0.030 2 472 46 46 GLN HG2 H 2.475 0.030 1 473 46 46 GLN HG3 H 2.475 0.030 1 474 46 46 GLN HE21 H 7.536 0.030 2 475 46 46 GLN HE22 H 6.779 0.030 2 476 46 46 GLN C C 174.468 0.300 1 477 46 46 GLN CA C 56.148 0.300 1 478 46 46 GLN CB C 31.194 0.300 1 479 46 46 GLN CG C 34.233 0.300 1 480 46 46 GLN N N 125.155 0.300 1 481 46 46 GLN NE2 N 111.839 0.300 1 482 47 47 GLY H H 6.420 0.030 1 483 47 47 GLY HA2 H 3.834 0.030 2 484 47 47 GLY HA3 H 3.323 0.030 2 485 47 47 GLY C C 169.540 0.300 1 486 47 47 GLY CA C 44.853 0.300 1 487 47 47 GLY N N 102.386 0.300 1 488 48 48 TYR H H 8.564 0.030 1 489 48 48 TYR HA H 4.812 0.030 1 490 48 48 TYR HB2 H 2.498 0.030 2 491 48 48 TYR HB3 H 2.107 0.030 2 492 48 48 TYR HD1 H 6.750 0.030 1 493 48 48 TYR HD2 H 6.750 0.030 1 494 48 48 TYR HE1 H 6.809 0.030 1 495 48 48 TYR HE2 H 6.809 0.030 1 496 48 48 TYR C C 173.376 0.300 1 497 48 48 TYR CA C 56.254 0.300 1 498 48 48 TYR CB C 41.835 0.300 1 499 48 48 TYR CD1 C 132.949 0.300 1 500 48 48 TYR CD2 C 132.949 0.300 1 501 48 48 TYR CE1 C 117.837 0.300 1 502 48 48 TYR CE2 C 117.837 0.300 1 503 48 48 TYR N N 115.098 0.300 1 504 49 49 ARG H H 9.543 0.030 1 505 49 49 ARG HA H 4.928 0.030 1 506 49 49 ARG HB2 H 1.797 0.030 2 507 49 49 ARG HB3 H 1.625 0.030 2 508 49 49 ARG HG2 H 1.413 0.030 1 509 49 49 ARG HG3 H 1.413 0.030 1 510 49 49 ARG HD2 H 2.934 0.030 2 511 49 49 ARG HD3 H 2.764 0.030 2 512 49 49 ARG HE H 7.905 0.030 1 513 49 49 ARG C C 174.590 0.300 1 514 49 49 ARG CA C 55.048 0.300 1 515 49 49 ARG CB C 31.486 0.300 1 516 49 49 ARG CG C 26.517 0.300 1 517 49 49 ARG CD C 43.283 0.300 1 518 49 49 ARG N N 124.582 0.300 1 519 49 49 ARG NE N 84.746 0.300 1 520 50 50 VAL H H 9.285 0.030 1 521 50 50 VAL HA H 4.181 0.030 1 522 50 50 VAL HB H 2.420 0.030 1 523 50 50 VAL HG1 H 0.859 0.030 1 524 50 50 VAL HG2 H 0.674 0.030 1 525 50 50 VAL C C 175.027 0.300 1 526 50 50 VAL CA C 62.164 0.300 1 527 50 50 VAL CB C 31.092 0.300 1 528 50 50 VAL CG1 C 22.302 0.300 2 529 50 50 VAL CG2 C 20.915 0.300 2 530 50 50 VAL N N 128.693 0.300 1 531 51 51 MET H H 9.321 0.030 1 532 51 51 MET HA H 5.672 0.030 1 533 51 51 MET HB2 H 1.887 0.030 2 534 51 51 MET HB3 H 1.398 0.030 2 535 51 51 MET HG2 H 2.344 0.030 2 536 51 51 MET HG3 H 2.121 0.030 2 537 51 51 MET HE H 1.452 0.030 1 538 51 51 MET C C 174.808 0.300 1 539 51 51 MET CA C 53.770 0.300 1 540 51 51 MET CB C 34.856 0.300 1 541 51 51 MET CG C 31.747 0.300 1 542 51 51 MET CE C 16.126 0.300 1 543 51 51 MET N N 127.456 0.300 1 544 52 52 TYR H H 9.148 0.030 1 545 52 52 TYR HA H 6.691 0.030 1 546 52 52 TYR HB2 H 3.083 0.030 2 547 52 52 TYR HB3 H 2.705 0.030 2 548 52 52 TYR HD1 H 6.825 0.030 1 549 52 52 TYR HD2 H 6.825 0.030 1 550 52 52 TYR HE1 H 6.505 0.030 1 551 52 52 TYR HE2 H 6.505 0.030 1 552 52 52 TYR C C 174.007 0.300 1 553 52 52 TYR CA C 54.988 0.300 1 554 52 52 TYR CB C 41.979 0.300 1 555 52 52 TYR CD1 C 133.728 0.300 1 556 52 52 TYR CD2 C 133.728 0.300 1 557 52 52 TYR CE1 C 118.192 0.300 1 558 52 52 TYR CE2 C 118.192 0.300 1 559 52 52 TYR N N 118.204 0.300 1 560 53 53 ARG H H 9.030 0.030 1 561 53 53 ARG HA H 4.902 0.030 1 562 53 53 ARG HB2 H 1.190 0.030 2 563 53 53 ARG HB3 H 1.117 0.030 2 564 53 53 ARG HG2 H 0.862 0.030 2 565 53 53 ARG HG3 H 0.425 0.030 2 566 53 53 ARG HD2 H 2.252 0.030 2 567 53 53 ARG HD3 H 0.433 0.030 2 568 53 53 ARG HE H 5.716 0.030 1 569 53 53 ARG C C 173.643 0.300 1 570 53 53 ARG CA C 54.101 0.300 1 571 53 53 ARG CB C 33.233 0.300 1 572 53 53 ARG CG C 24.881 0.300 1 573 53 53 ARG CD C 42.827 0.300 1 574 53 53 ARG N N 116.381 0.300 1 575 53 53 ARG NE N 85.319 0.300 1 576 54 54 GLN H H 8.737 0.030 1 577 54 54 GLN HA H 4.018 0.030 1 578 54 54 GLN HB2 H 1.776 0.030 1 579 54 54 GLN HB3 H 1.776 0.030 1 580 54 54 GLN HG2 H 2.054 0.030 2 581 54 54 GLN HG3 H 1.986 0.030 2 582 54 54 GLN HE21 H 7.718 0.030 2 583 54 54 GLN HE22 H 6.919 0.030 2 584 54 54 GLN C C 176.459 0.300 1 585 54 54 GLN CA C 55.674 0.300 1 586 54 54 GLN CB C 28.615 0.300 1 587 54 54 GLN CG C 33.539 0.300 1 588 54 54 GLN N N 125.417 0.300 1 589 54 54 GLN NE2 N 110.207 0.300 1 590 55 55 THR H H 8.747 0.030 1 591 55 55 THR HA H 4.584 0.030 1 592 55 55 THR HB H 4.253 0.030 1 593 55 55 THR HG2 H 1.025 0.030 1 594 55 55 THR C C 174.371 0.300 1 595 55 55 THR CA C 60.873 0.300 1 596 55 55 THR CB C 69.608 0.300 1 597 55 55 THR CG2 C 22.709 0.300 1 598 55 55 THR N N 114.522 0.300 1 599 56 56 SER H H 7.677 0.030 1 600 56 56 SER HA H 4.777 0.030 1 601 56 56 SER HB2 H 4.081 0.030 2 602 56 56 SER HB3 H 3.816 0.030 2 603 56 56 SER C C 173.570 0.300 1 604 56 56 SER CA C 57.361 0.300 1 605 56 56 SER CB C 65.521 0.300 1 606 56 56 SER N N 116.275 0.300 1 607 57 57 GLY H H 8.627 0.030 1 608 57 57 GLY HA2 H 4.119 0.030 2 609 57 57 GLY HA3 H 3.852 0.030 2 610 57 57 GLY C C 174.590 0.300 1 611 57 57 GLY CA C 44.935 0.300 1 612 57 57 GLY N N 108.028 0.300 1 613 58 58 LEU H H 8.276 0.030 1 614 58 58 LEU HA H 4.208 0.030 1 615 58 58 LEU HB2 H 1.641 0.030 2 616 58 58 LEU HB3 H 1.587 0.030 2 617 58 58 LEU HG H 1.581 0.030 1 618 58 58 LEU HD1 H 0.904 0.030 1 619 58 58 LEU HD2 H 0.867 0.030 1 620 58 58 LEU C C 178.061 0.300 1 621 58 58 LEU CA C 56.298 0.300 1 622 58 58 LEU CB C 42.432 0.300 1 623 58 58 LEU CG C 26.599 0.300 1 624 58 58 LEU CD1 C 24.870 0.300 2 625 58 58 LEU CD2 C 23.410 0.300 2 626 58 58 LEU N N 120.286 0.300 1 627 59 59 GLN H H 8.065 0.030 1 628 59 59 GLN HA H 4.331 0.030 1 629 59 59 GLN HB2 H 2.199 0.030 2 630 59 59 GLN HB3 H 1.956 0.030 2 631 59 59 GLN HG2 H 2.359 0.030 2 632 59 59 GLN HG3 H 2.281 0.030 2 633 59 59 GLN HE21 H 7.552 0.030 2 634 59 59 GLN HE22 H 6.862 0.030 2 635 59 59 GLN C C 174.759 0.300 1 636 59 59 GLN CA C 55.578 0.300 1 637 59 59 GLN CB C 27.934 0.300 1 638 59 59 GLN CG C 33.982 0.300 1 639 59 59 GLN N N 116.883 0.300 1 640 59 59 GLN NE2 N 112.386 0.300 1 641 60 60 ALA H H 7.430 0.030 1 642 60 60 ALA HA H 4.008 0.030 1 643 60 60 ALA HB H 1.163 0.030 1 644 60 60 ALA C C 177.406 0.300 1 645 60 60 ALA CA C 52.678 0.300 1 646 60 60 ALA CB C 18.877 0.300 1 647 60 60 ALA N N 122.385 0.300 1 648 61 61 THR H H 8.245 0.030 1 649 61 61 THR HA H 4.503 0.030 1 650 61 61 THR HB H 4.158 0.030 1 651 61 61 THR HG2 H 1.204 0.030 1 652 61 61 THR C C 173.424 0.300 1 653 61 61 THR CA C 60.669 0.300 1 654 61 61 THR CB C 69.854 0.300 1 655 61 61 THR CG2 C 20.964 0.300 1 656 61 61 THR N N 113.787 0.300 1 657 62 62 SER H H 8.169 0.030 1 658 62 62 SER HA H 4.375 0.030 1 659 62 62 SER HB2 H 3.926 0.030 2 660 62 62 SER HB3 H 3.789 0.030 2 661 62 62 SER C C 174.905 0.300 1 662 62 62 SER CA C 57.722 0.300 1 663 62 62 SER CB C 64.252 0.300 1 664 62 62 SER N N 117.836 0.300 1 665 63 63 SER H H 8.163 0.030 1 666 63 63 SER HA H 4.392 0.030 1 667 63 63 SER HB2 H 3.899 0.030 2 668 63 63 SER HB3 H 3.803 0.030 2 669 63 63 SER C C 173.497 0.300 1 670 63 63 SER CA C 57.968 0.300 1 671 63 63 SER CB C 64.018 0.300 1 672 63 63 SER N N 118.480 0.300 1 673 64 64 TRP H H 8.422 0.030 1 674 64 64 TRP HA H 4.392 0.030 1 675 64 64 TRP HB2 H 3.067 0.030 2 676 64 64 TRP HB3 H 2.935 0.030 2 677 64 64 TRP HD1 H 7.391 0.030 1 678 64 64 TRP HE1 H 10.194 0.030 1 679 64 64 TRP HE3 H 7.410 0.030 1 680 64 64 TRP HZ2 H 7.411 0.030 1 681 64 64 TRP HH2 H 6.879 0.030 1 682 64 64 TRP C C 177.139 0.300 1 683 64 64 TRP CA C 57.922 0.300 1 684 64 64 TRP CB C 30.155 0.300 1 685 64 64 TRP CD1 C 128.669 0.300 1 686 64 64 TRP CE3 C 120.281 0.300 1 687 64 64 TRP CZ2 C 113.999 0.300 1 688 64 64 TRP CZ3 C 122.232 0.300 1 689 64 64 TRP CH2 C 123.593 0.300 1 690 64 64 TRP N N 121.917 0.300 1 691 64 64 TRP NE1 N 130.344 0.300 1 692 65 65 GLN H H 9.212 0.030 1 693 65 65 GLN HA H 4.434 0.030 1 694 65 65 GLN HB2 H 1.655 0.030 2 695 65 65 GLN HB3 H 0.712 0.030 2 696 65 65 GLN HG2 H 2.206 0.030 1 697 65 65 GLN HG3 H 2.206 0.030 1 698 65 65 GLN HE21 H 7.450 0.030 2 699 65 65 GLN HE22 H 6.817 0.030 2 700 65 65 GLN C C 174.614 0.300 1 701 65 65 GLN CA C 54.848 0.300 1 702 65 65 GLN CB C 30.338 0.300 1 703 65 65 GLN CG C 35.022 0.300 1 704 65 65 GLN N N 123.914 0.300 1 705 65 65 GLN NE2 N 111.785 0.300 1 706 66 66 ASN H H 8.480 0.030 1 707 66 66 ASN HA H 5.941 0.030 1 708 66 66 ASN HB2 H 2.504 0.030 2 709 66 66 ASN HB3 H 2.409 0.030 2 710 66 66 ASN HD21 H 7.100 0.030 2 711 66 66 ASN HD22 H 6.687 0.030 2 712 66 66 ASN C C 174.225 0.300 1 713 66 66 ASN CA C 53.183 0.300 1 714 66 66 ASN CB C 43.271 0.300 1 715 66 66 ASN N N 114.804 0.300 1 716 66 66 ASN ND2 N 113.095 0.300 1 717 67 67 LEU H H 9.411 0.030 1 718 67 67 LEU HA H 4.640 0.030 1 719 67 67 LEU HB2 H 1.776 0.030 2 720 67 67 LEU HB3 H 1.706 0.030 2 721 67 67 LEU HG H 1.625 0.030 1 722 67 67 LEU HD1 H 1.079 0.030 1 723 67 67 LEU HD2 H 0.964 0.030 1 724 67 67 LEU C C 174.541 0.300 1 725 67 67 LEU CA C 54.549 0.300 1 726 67 67 LEU CB C 45.382 0.300 1 727 67 67 LEU CD1 C 24.918 0.300 2 728 67 67 LEU CD2 C 26.120 0.300 2 729 67 67 LEU N N 126.077 0.300 1 730 68 68 ASP H H 8.754 0.030 1 731 68 68 ASP HA H 5.233 0.030 1 732 68 68 ASP HB2 H 2.716 0.030 2 733 68 68 ASP HB3 H 2.496 0.030 2 734 68 68 ASP C C 175.391 0.300 1 735 68 68 ASP CA C 54.138 0.300 1 736 68 68 ASP CB C 41.102 0.300 1 737 68 68 ASP N N 126.334 0.300 1 738 69 69 ALA H H 9.519 0.030 1 739 69 69 ALA HA H 4.854 0.030 1 740 69 69 ALA HB H 1.797 0.030 1 741 69 69 ALA C C 177.309 0.300 1 742 69 69 ALA CA C 51.783 0.300 1 743 69 69 ALA CB C 18.831 0.300 1 744 69 69 ALA N N 130.564 0.300 1 745 70 70 LYS H H 8.456 0.030 1 746 70 70 LYS HA H 4.463 0.030 1 747 70 70 LYS HB2 H 2.109 0.030 2 748 70 70 LYS HB3 H 1.877 0.030 2 749 70 70 LYS HG2 H 1.547 0.030 1 750 70 70 LYS HG3 H 1.547 0.030 1 751 70 70 LYS HD2 H 1.800 0.030 1 752 70 70 LYS HD3 H 1.800 0.030 1 753 70 70 LYS HE2 H 3.109 0.030 1 754 70 70 LYS HE3 H 3.109 0.030 1 755 70 70 LYS C C 175.609 0.300 1 756 70 70 LYS CA C 57.686 0.300 1 757 70 70 LYS CB C 32.877 0.300 1 758 70 70 LYS CG C 25.160 0.300 1 759 70 70 LYS CD C 29.466 0.300 1 760 70 70 LYS CE C 42.189 0.300 1 761 70 70 LYS N N 121.788 0.300 1 762 71 71 VAL H H 7.711 0.030 1 763 71 71 VAL HA H 4.896 0.030 1 764 71 71 VAL HB H 2.275 0.030 1 765 71 71 VAL HG1 H 1.131 0.030 1 766 71 71 VAL HG2 H 1.036 0.030 1 767 71 71 VAL C C 176.775 0.300 1 768 71 71 VAL CA C 58.701 0.300 1 769 71 71 VAL CB C 34.007 0.300 1 770 71 71 VAL CG1 C 22.066 0.300 2 771 71 71 VAL CG2 C 20.553 0.300 2 772 71 71 VAL N N 117.176 0.300 1 773 72 72 PRO HA H 4.240 0.030 1 774 72 72 PRO HB2 H 2.075 0.030 1 775 72 72 PRO HB3 H 2.075 0.030 1 776 72 72 PRO HG2 H 2.084 0.030 1 777 72 72 PRO HG3 H 2.084 0.030 1 778 72 72 PRO HD2 H 4.007 0.030 1 779 72 72 PRO HD3 H 4.007 0.030 1 780 72 72 PRO C C 177.139 0.300 1 781 72 72 PRO CA C 65.275 0.300 1 782 72 72 PRO CB C 32.366 0.300 1 783 72 72 PRO CG C 27.506 0.300 1 784 72 72 PRO CD C 51.239 0.300 1 785 73 73 THR H H 7.156 0.030 1 786 73 73 THR HA H 4.296 0.030 1 787 73 73 THR HB H 4.472 0.030 1 788 73 73 THR HG2 H 1.264 0.030 1 789 73 73 THR C C 175.099 0.300 1 790 73 73 THR CA C 61.684 0.300 1 791 73 73 THR CB C 68.838 0.300 1 792 73 73 THR CG2 C 22.285 0.300 1 793 73 73 THR N N 105.957 0.300 1 794 74 74 GLU H H 7.762 0.030 1 795 74 74 GLU HA H 4.212 0.030 1 796 74 74 GLU HB2 H 2.355 0.030 2 797 74 74 GLU HB3 H 2.201 0.030 2 798 74 74 GLU HG2 H 2.497 0.030 1 799 74 74 GLU HG3 H 2.497 0.030 1 800 74 74 GLU C C 176.944 0.300 1 801 74 74 GLU CA C 57.453 0.300 1 802 74 74 GLU CB C 31.024 0.300 1 803 74 74 GLU CG C 37.450 0.300 1 804 74 74 GLU N N 123.578 0.300 1 805 75 75 ARG H H 8.235 0.030 1 806 75 75 ARG HA H 2.926 0.030 1 807 75 75 ARG HB2 H 1.810 0.030 2 808 75 75 ARG HB3 H 1.119 0.030 2 809 75 75 ARG HG2 H 1.420 0.030 2 810 75 75 ARG HG3 H 1.262 0.030 2 811 75 75 ARG HD2 H 2.898 0.030 2 812 75 75 ARG HD3 H 2.875 0.030 2 813 75 75 ARG HE H 7.392 0.030 1 814 75 75 ARG C C 172.574 0.300 1 815 75 75 ARG CA C 52.770 0.300 1 816 75 75 ARG CB C 30.749 0.300 1 817 75 75 ARG CG C 26.602 0.300 1 818 75 75 ARG CD C 42.332 0.300 1 819 75 75 ARG N N 121.158 0.300 1 820 75 75 ARG NE N 85.486 0.300 1 821 76 76 SER H H 6.745 0.030 1 822 76 76 SER HA H 4.909 0.030 1 823 76 76 SER HB2 H 3.443 0.030 1 824 76 76 SER HB3 H 3.443 0.030 1 825 76 76 SER C C 172.574 0.300 1 826 76 76 SER CA C 56.076 0.300 1 827 76 76 SER CB C 66.155 0.300 1 828 76 76 SER N N 111.282 0.300 1 829 77 77 ALA H H 9.163 0.030 1 830 77 77 ALA HA H 4.650 0.030 1 831 77 77 ALA HB H 1.525 0.030 1 832 77 77 ALA C C 174.711 0.300 1 833 77 77 ALA CA C 51.664 0.300 1 834 77 77 ALA CB C 23.192 0.300 1 835 77 77 ALA N N 123.210 0.300 1 836 78 78 VAL H H 8.376 0.030 1 837 78 78 VAL HA H 4.733 0.030 1 838 78 78 VAL HB H 1.818 0.030 1 839 78 78 VAL HG1 H 0.822 0.030 1 840 78 78 VAL HG2 H 0.692 0.030 1 841 78 78 VAL C C 174.735 0.300 1 842 78 78 VAL CA C 61.372 0.300 1 843 78 78 VAL CB C 33.581 0.300 1 844 78 78 VAL CG1 C 21.423 0.300 2 845 78 78 VAL CG2 C 21.542 0.300 2 846 78 78 VAL N N 119.978 0.300 1 847 79 79 LEU H H 9.178 0.030 1 848 79 79 LEU HA H 4.357 0.030 1 849 79 79 LEU HB2 H 1.472 0.030 2 850 79 79 LEU HB3 H 0.693 0.030 2 851 79 79 LEU HG H 1.333 0.030 1 852 79 79 LEU HD1 H 0.194 0.030 1 853 79 79 LEU HD2 H 0.271 0.030 1 854 79 79 LEU C C 175.633 0.300 1 855 79 79 LEU CA C 53.700 0.300 1 856 79 79 LEU CB C 42.342 0.300 1 857 79 79 LEU CG C 26.739 0.300 1 858 79 79 LEU CD1 C 24.805 0.300 2 859 79 79 LEU CD2 C 23.250 0.300 2 860 79 79 LEU N N 127.116 0.300 1 861 80 80 VAL H H 7.688 0.030 1 862 80 80 VAL HA H 4.937 0.030 1 863 80 80 VAL HB H 2.111 0.030 1 864 80 80 VAL HG1 H 0.842 0.030 1 865 80 80 VAL HG2 H 0.834 0.030 1 866 80 80 VAL C C 175.245 0.300 1 867 80 80 VAL CA C 58.650 0.300 1 868 80 80 VAL CB C 34.242 0.300 1 869 80 80 VAL CG1 C 21.569 0.300 2 870 80 80 VAL CG2 C 18.018 0.300 2 871 80 80 VAL N N 112.105 0.300 1 872 81 81 ASN H H 8.887 0.030 1 873 81 81 ASN HA H 4.320 0.030 1 874 81 81 ASN HB2 H 3.121 0.030 2 875 81 81 ASN HB3 H 2.882 0.030 2 876 81 81 ASN HD21 H 7.690 0.030 2 877 81 81 ASN HD22 H 6.943 0.030 2 878 81 81 ASN C C 175.027 0.300 1 879 81 81 ASN CA C 53.856 0.300 1 880 81 81 ASN CB C 37.023 0.300 1 881 81 81 ASN N N 114.901 0.300 1 882 81 81 ASN ND2 N 113.670 0.300 1 883 82 82 LEU H H 8.446 0.030 1 884 82 82 LEU HA H 4.213 0.030 1 885 82 82 LEU HB2 H 1.282 0.030 2 886 82 82 LEU HB3 H 1.122 0.030 2 887 82 82 LEU HG H 1.023 0.030 1 888 82 82 LEU HD1 H 0.064 0.030 1 889 82 82 LEU HD2 H -0.027 0.030 1 890 82 82 LEU C C 176.653 0.300 1 891 82 82 LEU CA C 54.349 0.300 1 892 82 82 LEU CB C 40.829 0.300 1 893 82 82 LEU CG C 26.059 0.300 1 894 82 82 LEU CD1 C 25.637 0.300 2 895 82 82 LEU CD2 C 20.427 0.300 2 896 82 82 LEU N N 117.895 0.300 1 897 83 83 LYS H H 8.390 0.030 1 898 83 83 LYS HA H 4.322 0.030 1 899 83 83 LYS HB2 H 1.768 0.030 1 900 83 83 LYS HB3 H 1.768 0.030 1 901 83 83 LYS HG2 H 1.610 0.030 2 902 83 83 LYS HG3 H 1.504 0.030 2 903 83 83 LYS HD2 H 1.719 0.030 1 904 83 83 LYS HD3 H 1.719 0.030 1 905 83 83 LYS HE2 H 3.069 0.030 1 906 83 83 LYS HE3 H 3.069 0.030 1 907 83 83 LYS C C 176.459 0.300 1 908 83 83 LYS CA C 55.578 0.300 1 909 83 83 LYS CB C 32.995 0.300 1 910 83 83 LYS CG C 25.398 0.300 1 911 83 83 LYS CD C 29.052 0.300 1 912 83 83 LYS CE C 42.580 0.300 1 913 83 83 LYS N N 119.472 0.300 1 914 84 84 LYS H H 8.230 0.030 1 915 84 84 LYS HA H 4.398 0.030 1 916 84 84 LYS HB2 H 1.803 0.030 2 917 84 84 LYS HB3 H 1.728 0.030 2 918 84 84 LYS HG2 H 1.417 0.030 1 919 84 84 LYS HG3 H 1.417 0.030 1 920 84 84 LYS HD2 H 1.674 0.030 1 921 84 84 LYS HD3 H 1.674 0.030 1 922 84 84 LYS HE2 H 2.953 0.030 1 923 84 84 LYS HE3 H 2.953 0.030 1 924 84 84 LYS C C 177.794 0.300 1 925 84 84 LYS CA C 56.984 0.300 1 926 84 84 LYS CB C 33.494 0.300 1 927 84 84 LYS CG C 25.098 0.300 1 928 84 84 LYS CD C 29.767 0.300 1 929 84 84 LYS CE C 41.979 0.300 1 930 84 84 LYS N N 121.796 0.300 1 931 85 85 GLY H H 7.930 0.030 1 932 85 85 GLY HA2 H 3.903 0.030 2 933 85 85 GLY HA3 H 3.726 0.030 2 934 85 85 GLY C C 174.444 0.300 1 935 85 85 GLY CA C 46.709 0.300 1 936 85 85 GLY N N 112.699 0.300 1 937 86 86 VAL H H 7.559 0.030 1 938 86 86 VAL HA H 4.404 0.030 1 939 86 86 VAL HB H 1.966 0.030 1 940 86 86 VAL HG1 H 0.644 0.030 1 941 86 86 VAL HG2 H 0.586 0.030 1 942 86 86 VAL C C 173.813 0.300 1 943 86 86 VAL CA C 59.695 0.300 1 944 86 86 VAL CB C 35.130 0.300 1 945 86 86 VAL CG1 C 21.393 0.300 2 946 86 86 VAL CG2 C 20.824 0.300 2 947 86 86 VAL N N 114.774 0.300 1 948 87 87 THR H H 8.131 0.030 1 949 87 87 THR HA H 5.106 0.030 1 950 87 87 THR HB H 3.893 0.030 1 951 87 87 THR HG2 H 1.088 0.030 1 952 87 87 THR C C 173.910 0.300 1 953 87 87 THR CA C 61.610 0.300 1 954 87 87 THR CB C 69.821 0.300 1 955 87 87 THR CG2 C 22.285 0.300 1 956 87 87 THR N N 116.205 0.300 1 957 88 88 TYR H H 9.297 0.030 1 958 88 88 TYR HA H 5.362 0.030 1 959 88 88 TYR HB2 H 2.712 0.030 2 960 88 88 TYR HB3 H 2.645 0.030 2 961 88 88 TYR HD1 H 6.976 0.030 1 962 88 88 TYR HD2 H 6.976 0.030 1 963 88 88 TYR HE1 H 6.975 0.030 1 964 88 88 TYR HE2 H 6.975 0.030 1 965 88 88 TYR C C 174.395 0.300 1 966 88 88 TYR CA C 57.326 0.300 1 967 88 88 TYR CB C 42.448 0.300 1 968 88 88 TYR CD1 C 132.480 0.300 1 969 88 88 TYR CD2 C 132.480 0.300 1 970 88 88 TYR CE1 C 118.647 0.300 1 971 88 88 TYR CE2 C 118.647 0.300 1 972 88 88 TYR N N 123.218 0.300 1 973 89 89 GLU H H 9.112 0.030 1 974 89 89 GLU HA H 5.128 0.030 1 975 89 89 GLU HB2 H 1.855 0.030 1 976 89 89 GLU HB3 H 1.855 0.030 1 977 89 89 GLU HG2 H 2.335 0.030 1 978 89 89 GLU HG3 H 2.335 0.030 1 979 89 89 GLU C C 175.366 0.300 1 980 89 89 GLU CA C 54.701 0.300 1 981 89 89 GLU CB C 33.070 0.300 1 982 89 89 GLU CG C 36.902 0.300 1 983 89 89 GLU N N 121.963 0.300 1 984 90 90 ILE H H 9.209 0.030 1 985 90 90 ILE HA H 5.593 0.030 1 986 90 90 ILE HB H 1.538 0.030 1 987 90 90 ILE HG12 H 1.637 0.030 2 988 90 90 ILE HG13 H 1.033 0.030 2 989 90 90 ILE HG2 H 0.955 0.030 1 990 90 90 ILE HD1 H 0.634 0.030 1 991 90 90 ILE C C 173.716 0.300 1 992 90 90 ILE CA C 60.032 0.300 1 993 90 90 ILE CB C 42.855 0.300 1 994 90 90 ILE CG1 C 28.096 0.300 1 995 90 90 ILE CG2 C 18.323 0.300 1 996 90 90 ILE CD1 C 15.202 0.300 1 997 90 90 ILE N N 125.006 0.300 1 998 91 91 LYS H H 9.352 0.030 1 999 91 91 LYS HA H 4.644 0.030 1 1000 91 91 LYS HB2 H 1.745 0.030 2 1001 91 91 LYS HB3 H 1.653 0.030 2 1002 91 91 LYS HG2 H 0.641 0.030 1 1003 91 91 LYS HG3 H 0.641 0.030 1 1004 91 91 LYS HD2 H 1.168 0.030 2 1005 91 91 LYS HD3 H 1.085 0.030 2 1006 91 91 LYS HE2 H 2.153 0.030 2 1007 91 91 LYS HE3 H 0.601 0.030 2 1008 91 91 LYS C C 172.623 0.300 1 1009 91 91 LYS CA C 54.919 0.300 1 1010 91 91 LYS CB C 36.051 0.300 1 1011 91 91 LYS CG C 23.553 0.300 1 1012 91 91 LYS CD C 30.763 0.300 1 1013 91 91 LYS CE C 41.413 0.300 1 1014 91 91 LYS N N 121.468 0.300 1 1015 92 92 VAL H H 8.482 0.030 1 1016 92 92 VAL HA H 4.985 0.030 1 1017 92 92 VAL HB H 1.246 0.030 1 1018 92 92 VAL HG1 H 0.352 0.030 1 1019 92 92 VAL HG2 H -0.159 0.030 1 1020 92 92 VAL C C 173.740 0.300 1 1021 92 92 VAL CA C 60.665 0.300 1 1022 92 92 VAL CB C 35.460 0.300 1 1023 92 92 VAL CG1 C 22.835 0.300 2 1024 92 92 VAL CG2 C 21.228 0.300 2 1025 92 92 VAL N N 118.523 0.300 1 1026 93 93 ARG H H 8.671 0.030 1 1027 93 93 ARG HA H 5.346 0.030 1 1028 93 93 ARG HB2 H 1.910 0.030 2 1029 93 93 ARG HB3 H 1.665 0.030 2 1030 93 93 ARG HG2 H 1.595 0.030 2 1031 93 93 ARG HG3 H 1.487 0.030 2 1032 93 93 ARG HD2 H 3.114 0.030 2 1033 93 93 ARG HD3 H 3.068 0.030 2 1034 93 93 ARG HE H 8.429 0.030 1 1035 93 93 ARG C C 173.643 0.300 1 1036 93 93 ARG CA C 52.237 0.300 1 1037 93 93 ARG CB C 34.269 0.300 1 1038 93 93 ARG CG C 25.333 0.300 1 1039 93 93 ARG CD C 44.085 0.300 1 1040 93 93 ARG N N 124.149 0.300 1 1041 93 93 ARG NE N 86.036 0.300 1 1042 94 94 PRO HA H 4.941 0.030 1 1043 94 94 PRO HB2 H 2.079 0.030 2 1044 94 94 PRO HB3 H 1.698 0.030 2 1045 94 94 PRO HG2 H 2.199 0.030 2 1046 94 94 PRO HG3 H 2.076 0.030 2 1047 94 94 PRO HD2 H 3.931 0.030 2 1048 94 94 PRO HD3 H 3.765 0.030 2 1049 94 94 PRO C C 175.439 0.300 1 1050 94 94 PRO CA C 62.174 0.300 1 1051 94 94 PRO CB C 32.928 0.300 1 1052 94 94 PRO CG C 27.435 0.300 1 1053 94 94 PRO CD C 50.844 0.300 1 1054 95 95 TYR H H 7.995 0.030 1 1055 95 95 TYR HA H 5.267 0.030 1 1056 95 95 TYR HB2 H 3.131 0.030 2 1057 95 95 TYR HB3 H 2.644 0.030 2 1058 95 95 TYR HD1 H 6.777 0.030 1 1059 95 95 TYR HD2 H 6.777 0.030 1 1060 95 95 TYR HE1 H 6.490 0.030 1 1061 95 95 TYR HE2 H 6.490 0.030 1 1062 95 95 TYR C C 173.351 0.300 1 1063 95 95 TYR CA C 57.217 0.300 1 1064 95 95 TYR CB C 41.979 0.300 1 1065 95 95 TYR CD1 C 133.550 0.300 1 1066 95 95 TYR CD2 C 133.550 0.300 1 1067 95 95 TYR CE1 C 118.151 0.300 1 1068 95 95 TYR CE2 C 118.151 0.300 1 1069 95 95 TYR N N 115.066 0.300 1 1070 96 96 PHE H H 8.742 0.030 1 1071 96 96 PHE HA H 4.381 0.030 1 1072 96 96 PHE HB2 H 2.994 0.030 1 1073 96 96 PHE HB3 H 2.994 0.030 1 1074 96 96 PHE HD1 H 7.150 0.030 1 1075 96 96 PHE HD2 H 7.150 0.030 1 1076 96 96 PHE HE1 H 7.370 0.030 1 1077 96 96 PHE HE2 H 7.370 0.030 1 1078 96 96 PHE HZ H 7.269 0.030 1 1079 96 96 PHE C C 172.647 0.300 1 1080 96 96 PHE CA C 58.157 0.300 1 1081 96 96 PHE CB C 42.213 0.300 1 1082 96 96 PHE CD1 C 132.281 0.300 1 1083 96 96 PHE CD2 C 132.281 0.300 1 1084 96 96 PHE CE1 C 131.663 0.300 1 1085 96 96 PHE CE2 C 131.663 0.300 1 1086 96 96 PHE CZ C 130.142 0.300 1 1087 96 96 PHE N N 120.936 0.300 1 1088 97 97 ASN H H 9.005 0.030 1 1089 97 97 ASN HA H 4.111 0.030 1 1090 97 97 ASN HB2 H 2.791 0.030 2 1091 97 97 ASN HB3 H 2.735 0.030 2 1092 97 97 ASN HD21 H 6.871 0.030 2 1093 97 97 ASN HD22 H 6.683 0.030 2 1094 97 97 ASN C C 174.784 0.300 1 1095 97 97 ASN CA C 55.439 0.300 1 1096 97 97 ASN CB C 36.941 0.300 1 1097 97 97 ASN N N 126.210 0.300 1 1098 97 97 ASN ND2 N 113.216 0.300 1 1099 98 98 GLU H H 9.280 0.030 1 1100 98 98 GLU HA H 4.188 0.030 1 1101 98 98 GLU HB2 H 1.851 0.030 2 1102 98 98 GLU HB3 H 1.790 0.030 2 1103 98 98 GLU HG2 H 1.905 0.030 2 1104 98 98 GLU HG3 H 1.404 0.030 2 1105 98 98 GLU C C 176.143 0.300 1 1106 98 98 GLU CA C 57.453 0.300 1 1107 98 98 GLU CB C 28.615 0.300 1 1108 98 98 GLU CG C 35.373 0.300 1 1109 98 98 GLU N N 122.594 0.300 1 1110 99 99 PHE H H 8.671 0.030 1 1111 99 99 PHE HA H 4.740 0.030 1 1112 99 99 PHE HB2 H 3.272 0.030 2 1113 99 99 PHE HB3 H 3.116 0.030 2 1114 99 99 PHE HD1 H 7.369 0.030 1 1115 99 99 PHE HD2 H 7.369 0.030 1 1116 99 99 PHE HE1 H 7.149 0.030 1 1117 99 99 PHE HE2 H 7.149 0.030 1 1118 99 99 PHE HZ H 7.328 0.030 1 1119 99 99 PHE C C 174.929 0.300 1 1120 99 99 PHE CA C 57.193 0.300 1 1121 99 99 PHE CB C 39.868 0.300 1 1122 99 99 PHE CD1 C 131.662 0.300 1 1123 99 99 PHE CD2 C 131.662 0.300 1 1124 99 99 PHE CE1 C 132.258 0.300 1 1125 99 99 PHE CE2 C 132.258 0.300 1 1126 99 99 PHE CZ C 130.317 0.300 1 1127 99 99 PHE N N 122.604 0.300 1 1128 100 100 GLN H H 8.921 0.030 1 1129 100 100 GLN HA H 4.833 0.030 1 1130 100 100 GLN HB2 H 2.132 0.030 2 1131 100 100 GLN HB3 H 2.033 0.030 2 1132 100 100 GLN HG2 H 2.376 0.030 2 1133 100 100 GLN HG3 H 2.239 0.030 2 1134 100 100 GLN HE21 H 7.331 0.030 2 1135 100 100 GLN HE22 H 6.519 0.030 2 1136 100 100 GLN C C 176.435 0.300 1 1137 100 100 GLN CA C 53.990 0.300 1 1138 100 100 GLN CB C 32.132 0.300 1 1139 100 100 GLN CG C 34.007 0.300 1 1140 100 100 GLN N N 119.956 0.300 1 1141 100 100 GLN NE2 N 112.523 0.300 1 1142 101 101 GLY H H 8.366 0.030 1 1143 101 101 GLY HA2 H 4.416 0.030 2 1144 101 101 GLY HA3 H 3.468 0.030 2 1145 101 101 GLY C C 171.482 0.300 1 1146 101 101 GLY CA C 43.679 0.300 1 1147 101 101 GLY N N 108.726 0.300 1 1148 102 102 MET H H 9.134 0.030 1 1149 102 102 MET HA H 4.414 0.030 1 1150 102 102 MET HB2 H 2.120 0.030 2 1151 102 102 MET HB3 H 2.075 0.030 2 1152 102 102 MET HG2 H 2.764 0.030 2 1153 102 102 MET HG3 H 2.701 0.030 2 1154 102 102 MET HE H 2.155 0.030 1 1155 102 102 MET C C 176.556 0.300 1 1156 102 102 MET CA C 55.109 0.300 1 1157 102 102 MET CB C 33.304 0.300 1 1158 102 102 MET CG C 32.076 0.300 1 1159 102 102 MET CE C 16.996 0.300 1 1160 102 102 MET N N 119.088 0.300 1 1161 103 103 ASP H H 8.317 0.030 1 1162 103 103 ASP HA H 4.632 0.030 1 1163 103 103 ASP HB2 H 2.689 0.030 2 1164 103 103 ASP HB3 H 2.439 0.030 2 1165 103 103 ASP C C 178.498 0.300 1 1166 103 103 ASP CA C 55.042 0.300 1 1167 103 103 ASP CB C 42.397 0.300 1 1168 103 103 ASP N N 122.870 0.300 1 1169 104 104 SER H H 8.817 0.030 1 1170 104 104 SER HA H 4.610 0.030 1 1171 104 104 SER HB2 H 4.419 0.030 2 1172 104 104 SER HB3 H 3.816 0.030 2 1173 104 104 SER C C 174.055 0.300 1 1174 104 104 SER CA C 58.381 0.300 1 1175 104 104 SER CB C 65.877 0.300 1 1176 104 104 SER N N 116.892 0.300 1 1177 105 105 GLU H H 8.739 0.030 1 1178 105 105 GLU HA H 4.393 0.030 1 1179 105 105 GLU HB2 H 2.198 0.030 1 1180 105 105 GLU HB3 H 2.198 0.030 1 1181 105 105 GLU HG2 H 2.498 0.030 1 1182 105 105 GLU HG3 H 2.498 0.030 1 1183 105 105 GLU C C 177.576 0.300 1 1184 105 105 GLU CA C 57.688 0.300 1 1185 105 105 GLU CB C 30.223 0.300 1 1186 105 105 GLU CG C 36.710 0.300 1 1187 105 105 GLU N N 119.529 0.300 1 1188 106 106 SER H H 8.875 0.030 1 1189 106 106 SER HA H 5.488 0.030 1 1190 106 106 SER HB2 H 4.037 0.030 2 1191 106 106 SER HB3 H 3.944 0.030 2 1192 106 106 SER C C 175.099 0.300 1 1193 106 106 SER CA C 57.611 0.300 1 1194 106 106 SER CB C 65.451 0.300 1 1195 106 106 SER N N 121.255 0.300 1 1196 107 107 LYS H H 9.144 0.030 1 1197 107 107 LYS HA H 4.951 0.030 1 1198 107 107 LYS HB2 H 1.916 0.030 2 1199 107 107 LYS HB3 H 1.578 0.030 2 1200 107 107 LYS HG2 H 1.502 0.030 1 1201 107 107 LYS HG3 H 1.502 0.030 1 1202 107 107 LYS HD2 H 2.018 0.030 2 1203 107 107 LYS HD3 H 1.734 0.030 2 1204 107 107 LYS HE2 H 2.948 0.030 1 1205 107 107 LYS HE3 H 2.948 0.030 1 1206 107 107 LYS C C 175.415 0.300 1 1207 107 107 LYS CA C 53.971 0.300 1 1208 107 107 LYS CB C 37.352 0.300 1 1209 107 107 LYS CG C 25.802 0.300 1 1210 107 107 LYS CD C 29.193 0.300 1 1211 107 107 LYS CE C 43.151 0.300 1 1212 107 107 LYS N N 120.562 0.300 1 1213 108 108 THR H H 8.439 0.030 1 1214 108 108 THR HA H 5.864 0.030 1 1215 108 108 THR HB H 4.033 0.030 1 1216 108 108 THR HG2 H 1.159 0.030 1 1217 108 108 THR C C 174.250 0.300 1 1218 108 108 THR CA C 59.948 0.300 1 1219 108 108 THR CB C 71.902 0.300 1 1220 108 108 THR CG2 C 21.581 0.300 1 1221 108 108 THR N N 112.150 0.300 1 1222 109 109 VAL H H 9.042 0.030 1 1223 109 109 VAL HA H 4.598 0.030 1 1224 109 109 VAL HB H 1.893 0.030 1 1225 109 109 VAL HG1 H 0.880 0.030 1 1226 109 109 VAL HG2 H 0.849 0.030 1 1227 109 109 VAL C C 170.802 0.300 1 1228 109 109 VAL CA C 59.766 0.300 1 1229 109 109 VAL CB C 35.414 0.300 1 1230 109 109 VAL CG1 C 22.120 0.300 2 1231 109 109 VAL CG2 C 19.911 0.300 2 1232 109 109 VAL N N 120.787 0.300 1 1233 110 110 ARG H H 8.244 0.030 1 1234 110 110 ARG HA H 5.303 0.030 1 1235 110 110 ARG HB2 H 1.750 0.030 2 1236 110 110 ARG HB3 H 1.588 0.030 2 1237 110 110 ARG HG2 H 1.583 0.030 2 1238 110 110 ARG HG3 H 1.344 0.030 2 1239 110 110 ARG HD2 H 3.078 0.030 2 1240 110 110 ARG HD3 H 3.046 0.030 2 1241 110 110 ARG HE H 7.038 0.030 1 1242 110 110 ARG C C 176.872 0.300 1 1243 110 110 ARG CA C 53.915 0.300 1 1244 110 110 ARG CB C 32.699 0.300 1 1245 110 110 ARG CG C 27.208 0.300 1 1246 110 110 ARG CD C 43.584 0.300 1 1247 110 110 ARG N N 127.032 0.300 1 1248 110 110 ARG NE N 84.782 0.300 1 1249 111 111 THR H H 9.323 0.030 1 1250 111 111 THR HA H 4.253 0.030 1 1251 111 111 THR HB H 4.939 0.030 1 1252 111 111 THR HG2 H 1.139 0.030 1 1253 111 111 THR C C 175.196 0.300 1 1254 111 111 THR CA C 61.653 0.300 1 1255 111 111 THR CB C 68.274 0.300 1 1256 111 111 THR CG2 C 23.222 0.300 1 1257 111 111 THR N N 117.238 0.300 1 1258 112 112 THR H H 7.266 0.030 1 1259 112 112 THR HA H 4.354 0.030 1 1260 112 112 THR HB H 4.217 0.030 1 1261 112 112 THR HG2 H 1.253 0.030 1 1262 112 112 THR C C 173.254 0.300 1 1263 112 112 THR CA C 61.226 0.300 1 1264 112 112 THR CB C 70.316 0.300 1 1265 112 112 THR CG2 C 22.285 0.300 1 1266 112 112 THR N N 112.215 0.300 1 1267 113 113 GLU H H 8.450 0.030 1 1268 113 113 GLU HA H 4.308 0.030 1 1269 113 113 GLU HB2 H 2.094 0.030 2 1270 113 113 GLU HB3 H 1.919 0.030 2 1271 113 113 GLU HG2 H 2.254 0.030 1 1272 113 113 GLU HG3 H 2.254 0.030 1 1273 113 113 GLU C C 176.507 0.300 1 1274 113 113 GLU CA C 56.351 0.300 1 1275 113 113 GLU CB C 31.025 0.300 1 1276 113 113 GLU CG C 36.587 0.300 1 1277 113 113 GLU N N 119.705 0.300 1 1278 114 114 GLU H H 8.557 0.030 1 1279 114 114 GLU HA H 4.339 0.030 1 1280 114 114 GLU HB2 H 2.092 0.030 2 1281 114 114 GLU HB3 H 1.935 0.030 2 1282 114 114 GLU HG2 H 2.270 0.030 1 1283 114 114 GLU HG3 H 2.270 0.030 1 1284 114 114 GLU C C 176.289 0.300 1 1285 114 114 GLU CA C 56.502 0.300 1 1286 114 114 GLU CB C 30.627 0.300 1 1287 114 114 GLU CG C 36.250 0.300 1 1288 114 114 GLU N N 121.639 0.300 1 1289 115 115 SER H H 8.492 0.030 1 1290 115 115 SER HA H 4.477 0.030 1 1291 115 115 SER HB2 H 3.891 0.030 1 1292 115 115 SER HB3 H 3.891 0.030 1 1293 115 115 SER C C 174.565 0.300 1 1294 115 115 SER CA C 58.039 0.300 1 1295 115 115 SER CB C 64.252 0.300 1 1296 115 115 SER N N 117.590 0.300 1 stop_ save_