data_10300 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structures of the fn3 domain of human Proto-oncogene tyrosine-protein kinase MER precursor ; _BMRB_accession_number 10300 _BMRB_flat_file_name bmr10300.str _Entry_type new _Submission_date 2008-12-24 _Accession_date 2008-12-24 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sato M. . . 2 Tochio N. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 645 "13C chemical shifts" 493 "15N chemical shifts" 118 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-01-11 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structures of the fn3 domain of human Proto-oncogene tyrosine-protein kinase MER precursor ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sato M. . . 2 Tochio N. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Proto-oncogene tyrosine-protein kinase MER precursor' _Enzyme_commission_number E.C.2.7.1.112 loop_ _Mol_system_component_name _Mol_label 'Fibronectin type III domain' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Fibronectin type III domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 124 _Mol_residue_sequence ; GSSGSSGWILASTTEGAPSV APLNVTVFLNESSDNVDIRW MKPPTKQQDGELVGYRISHV WQSAGISKELLEEVGQNGSR ARISVQVHNATCTVRIAAVT RGGVGPFSDPVKIFIPAHSG PSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 TRP 9 ILE 10 LEU 11 ALA 12 SER 13 THR 14 THR 15 GLU 16 GLY 17 ALA 18 PRO 19 SER 20 VAL 21 ALA 22 PRO 23 LEU 24 ASN 25 VAL 26 THR 27 VAL 28 PHE 29 LEU 30 ASN 31 GLU 32 SER 33 SER 34 ASP 35 ASN 36 VAL 37 ASP 38 ILE 39 ARG 40 TRP 41 MET 42 LYS 43 PRO 44 PRO 45 THR 46 LYS 47 GLN 48 GLN 49 ASP 50 GLY 51 GLU 52 LEU 53 VAL 54 GLY 55 TYR 56 ARG 57 ILE 58 SER 59 HIS 60 VAL 61 TRP 62 GLN 63 SER 64 ALA 65 GLY 66 ILE 67 SER 68 LYS 69 GLU 70 LEU 71 LEU 72 GLU 73 GLU 74 VAL 75 GLY 76 GLN 77 ASN 78 GLY 79 SER 80 ARG 81 ALA 82 ARG 83 ILE 84 SER 85 VAL 86 GLN 87 VAL 88 HIS 89 ASN 90 ALA 91 THR 92 CYS 93 THR 94 VAL 95 ARG 96 ILE 97 ALA 98 ALA 99 VAL 100 THR 101 ARG 102 GLY 103 GLY 104 VAL 105 GLY 106 PRO 107 PHE 108 SER 109 ASP 110 PRO 111 VAL 112 LYS 113 ILE 114 PHE 115 ILE 116 PRO 117 ALA 118 HIS 119 SER 120 GLY 121 PRO 122 SER 123 SER 124 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-15 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 2DBJ "Solution Structures Of The Fn3 Domain Of Human Proto- Oncogene Tyrosine-Protein Kinase Mer Precursor" 100.00 124 100.00 100.00 8.07e-83 REF XP_011508793 "PREDICTED: tyrosine-protein kinase Mer isoform X4 [Homo sapiens]" 62.90 594 100.00 100.00 4.99e-45 REF XP_014199407 "PREDICTED: tyrosine-protein kinase Mer [Pan paniscus]" 82.26 898 99.02 100.00 3.94e-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 P050314-04 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-13C; U-15N]' 'd-Tris HCl' 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name XWINNMR _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20031121 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.932 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structure solution' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 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_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 296 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'Fibronectin type III domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 6 6 SER H H 7.609 0.030 1 2 6 6 SER HA H 4.387 0.030 1 3 6 6 SER HB2 H 4.032 0.030 2 4 6 6 SER HB3 H 3.910 0.030 2 5 6 6 SER C C 174.970 0.300 1 6 6 6 SER CA C 59.828 0.300 1 7 6 6 SER CB C 63.015 0.300 1 8 6 6 SER N N 113.840 0.300 1 9 7 7 GLY H H 8.342 0.030 1 10 7 7 GLY HA2 H 3.904 0.030 1 11 7 7 GLY HA3 H 3.904 0.030 1 12 7 7 GLY C C 173.848 0.300 1 13 7 7 GLY CA C 45.469 0.300 1 14 7 7 GLY N N 110.438 0.300 1 15 8 8 TRP H H 7.931 0.030 1 16 8 8 TRP HA H 4.642 0.030 1 17 8 8 TRP HB2 H 3.211 0.030 1 18 8 8 TRP HB3 H 3.211 0.030 1 19 8 8 TRP HD1 H 7.175 0.030 1 20 8 8 TRP HE1 H 10.088 0.030 1 21 8 8 TRP HE3 H 7.551 0.030 1 22 8 8 TRP HH2 H 7.185 0.030 1 23 8 8 TRP HZ2 H 7.455 0.030 1 24 8 8 TRP HZ3 H 7.087 0.030 1 25 8 8 TRP C C 176.055 0.300 1 26 8 8 TRP CA C 57.225 0.300 1 27 8 8 TRP CB C 29.489 0.300 1 28 8 8 TRP CD1 C 126.910 0.300 1 29 8 8 TRP CE3 C 120.835 0.300 1 30 8 8 TRP CH2 C 124.658 0.300 1 31 8 8 TRP CZ2 C 114.581 0.300 1 32 8 8 TRP CZ3 C 122.034 0.300 1 33 8 8 TRP N N 120.945 0.300 1 34 8 8 TRP NE1 N 129.264 0.300 1 35 9 9 ILE H H 7.866 0.030 1 36 9 9 ILE HA H 4.006 0.030 1 37 9 9 ILE HB H 1.691 0.030 1 38 9 9 ILE HD1 H 0.771 0.030 1 39 9 9 ILE HG12 H 1.292 0.030 2 40 9 9 ILE HG13 H 0.997 0.030 2 41 9 9 ILE HG2 H 0.780 0.030 1 42 9 9 ILE C C 175.713 0.300 1 43 9 9 ILE CA C 61.097 0.300 1 44 9 9 ILE CB C 38.839 0.300 1 45 9 9 ILE CD1 C 12.808 0.300 1 46 9 9 ILE CG1 C 27.142 0.300 1 47 9 9 ILE CG2 C 17.280 0.300 1 48 9 9 ILE N N 122.829 0.300 1 49 10 10 LEU H H 8.079 0.030 1 50 10 10 LEU HA H 4.252 0.030 1 51 10 10 LEU HB2 H 1.550 0.030 1 52 10 10 LEU HB3 H 1.550 0.030 1 53 10 10 LEU HD1 H 0.920 0.030 1 54 10 10 LEU HD2 H 0.851 0.030 1 55 10 10 LEU HG H 1.577 0.030 1 56 10 10 LEU C C 176.853 0.300 1 57 10 10 LEU CA C 55.026 0.300 1 58 10 10 LEU CB C 42.288 0.300 1 59 10 10 LEU CD1 C 24.823 0.300 2 60 10 10 LEU CD2 C 23.822 0.300 2 61 10 10 LEU CG C 26.977 0.300 1 62 10 10 LEU N N 126.208 0.300 1 63 11 11 ALA H H 8.222 0.030 1 64 11 11 ALA HA H 4.306 0.030 1 65 11 11 ALA HB H 1.379 0.030 1 66 11 11 ALA C C 177.628 0.300 1 67 11 11 ALA CA C 52.472 0.300 1 68 11 11 ALA CB C 19.357 0.300 1 69 11 11 ALA N N 125.333 0.300 1 70 12 12 SER H H 8.251 0.030 1 71 12 12 SER HA H 4.461 0.030 1 72 12 12 SER HB2 H 3.868 0.030 2 73 12 12 SER C C 174.830 0.300 1 74 12 12 SER CA C 58.264 0.300 1 75 12 12 SER CB C 63.895 0.300 1 76 12 12 SER N N 114.892 0.300 1 77 13 13 THR H H 8.173 0.030 1 78 13 13 THR HA H 4.473 0.030 1 79 13 13 THR HB H 4.299 0.030 1 80 13 13 THR HG2 H 1.194 0.030 1 81 13 13 THR C C 174.743 0.300 1 82 13 13 THR CA C 61.713 0.300 1 83 13 13 THR CB C 69.777 0.300 1 84 13 13 THR CG2 C 21.625 0.300 1 85 13 13 THR N N 115.492 0.300 1 86 14 14 THR H H 8.170 0.030 1 87 14 14 THR HA H 4.366 0.030 1 88 14 14 THR HB H 4.225 0.030 1 89 14 14 THR HG2 H 1.172 0.030 1 90 14 14 THR C C 174.584 0.300 1 91 14 14 THR CA C 61.872 0.300 1 92 14 14 THR CB C 69.736 0.300 1 93 14 14 THR CG2 C 21.705 0.300 1 94 14 14 THR N N 115.620 0.300 1 95 15 15 GLU H H 8.373 0.030 1 96 15 15 GLU HA H 4.326 0.030 1 97 15 15 GLU HB2 H 1.989 0.030 2 98 15 15 GLU HB3 H 1.880 0.030 2 99 15 15 GLU HG2 H 2.210 0.030 1 100 15 15 GLU HG3 H 2.210 0.030 1 101 15 15 GLU C C 176.460 0.300 1 102 15 15 GLU CA C 56.627 0.300 1 103 15 15 GLU CB C 30.436 0.300 1 104 15 15 GLU CG C 36.275 0.300 1 105 15 15 GLU N N 123.537 0.300 1 106 16 16 GLY H H 8.364 0.030 1 107 16 16 GLY HA2 H 4.028 0.030 2 108 16 16 GLY HA3 H 3.868 0.030 2 109 16 16 GLY C C 173.779 0.300 1 110 16 16 GLY CA C 44.765 0.300 1 111 16 16 GLY N N 109.677 0.300 1 112 17 17 ALA H H 8.082 0.030 1 113 17 17 ALA HA H 4.241 0.030 1 114 17 17 ALA HB H 1.116 0.030 1 115 17 17 ALA C C 174.830 0.300 1 116 17 17 ALA CA C 50.450 0.300 1 117 17 17 ALA CB C 17.480 0.300 1 118 17 17 ALA N N 124.508 0.300 1 119 18 18 PRO HA H 4.478 0.030 1 120 18 18 PRO HB2 H 2.304 0.030 2 121 18 18 PRO HB3 H 1.907 0.030 2 122 18 18 PRO HD2 H 3.874 0.030 2 123 18 18 PRO HD3 H 3.237 0.030 2 124 18 18 PRO HG2 H 1.828 0.030 1 125 18 18 PRO HG3 H 1.828 0.030 1 126 18 18 PRO C C 176.548 0.300 1 127 18 18 PRO CA C 63.183 0.300 1 128 18 18 PRO CB C 31.673 0.300 1 129 18 18 PRO CD C 49.656 0.300 1 130 18 18 PRO CG C 27.305 0.300 1 131 19 19 SER H H 8.833 0.030 1 132 19 19 SER HA H 4.461 0.030 1 133 19 19 SER HB2 H 3.958 0.030 2 134 19 19 SER HB3 H 3.829 0.030 2 135 19 19 SER C C 173.935 0.300 1 136 19 19 SER CA C 58.457 0.300 1 137 19 19 SER CB C 64.335 0.300 1 138 19 19 SER N N 114.123 0.300 1 139 20 20 VAL H H 7.457 0.030 1 140 20 20 VAL HA H 4.473 0.030 1 141 20 20 VAL HB H 2.084 0.030 1 142 20 20 VAL HG1 H 1.025 0.030 1 143 20 20 VAL HG2 H 0.869 0.030 1 144 20 20 VAL C C 174.716 0.300 1 145 20 20 VAL CA C 60.253 0.300 1 146 20 20 VAL CB C 34.710 0.300 1 147 20 20 VAL CG1 C 21.952 0.300 2 148 20 20 VAL CG2 C 19.898 0.300 2 149 20 20 VAL N N 116.824 0.300 1 150 21 21 ALA H H 8.413 0.030 1 151 21 21 ALA HA H 4.830 0.030 1 152 21 21 ALA HB H 1.215 0.030 1 153 21 21 ALA C C 174.854 0.300 1 154 21 21 ALA CA C 50.062 0.300 1 155 21 21 ALA CB C 18.409 0.300 1 156 21 21 ALA N N 127.225 0.300 1 157 22 22 PRO HA H 4.257 0.030 1 158 22 22 PRO HB2 H 2.290 0.030 2 159 22 22 PRO HB3 H 1.432 0.030 2 160 22 22 PRO HD2 H 4.065 0.030 2 161 22 22 PRO HD3 H 3.689 0.030 2 162 22 22 PRO HG2 H 1.621 0.030 2 163 22 22 PRO HG3 H 1.561 0.030 2 164 22 22 PRO C C 173.282 0.300 1 165 22 22 PRO CA C 63.745 0.300 1 166 22 22 PRO CB C 32.420 0.300 1 167 22 22 PRO CD C 50.244 0.300 1 168 22 22 PRO CG C 28.449 0.300 1 169 23 23 LEU H H 7.758 0.030 1 170 23 23 LEU HA H 4.594 0.030 1 171 23 23 LEU HB2 H 1.584 0.030 1 172 23 23 LEU HB3 H 1.584 0.030 1 173 23 23 LEU HD1 H 0.954 0.030 1 174 23 23 LEU HD2 H 0.966 0.030 1 175 23 23 LEU HG H 1.729 0.030 1 176 23 23 LEU C C 176.135 0.300 1 177 23 23 LEU CA C 54.058 0.300 1 178 23 23 LEU CB C 45.583 0.300 1 179 23 23 LEU CD1 C 23.929 0.300 2 180 23 23 LEU CD2 C 25.988 0.300 2 181 23 23 LEU CG C 27.620 0.300 1 182 23 23 LEU N N 119.277 0.300 1 183 24 24 ASN H H 8.815 0.030 1 184 24 24 ASN HA H 4.300 0.030 1 185 24 24 ASN HB2 H 2.945 0.030 2 186 24 24 ASN HB3 H 2.569 0.030 2 187 24 24 ASN HD21 H 7.188 0.030 2 188 24 24 ASN HD22 H 6.909 0.030 2 189 24 24 ASN C C 173.809 0.300 1 190 24 24 ASN CA C 53.730 0.300 1 191 24 24 ASN CB C 37.505 0.300 1 192 24 24 ASN N N 116.140 0.300 1 193 24 24 ASN ND2 N 112.417 0.300 1 194 25 25 VAL H H 8.053 0.030 1 195 25 25 VAL HA H 4.644 0.030 1 196 25 25 VAL HB H 2.031 0.030 1 197 25 25 VAL HG1 H 0.901 0.030 1 198 25 25 VAL HG2 H 0.804 0.030 1 199 25 25 VAL C C 177.364 0.300 1 200 25 25 VAL CA C 63.773 0.300 1 201 25 25 VAL CB C 31.414 0.300 1 202 25 25 VAL CG1 C 20.881 0.300 2 203 25 25 VAL CG2 C 20.881 0.300 2 204 25 25 VAL N N 119.432 0.300 1 205 26 26 THR H H 9.323 0.030 1 206 26 26 THR HA H 4.640 0.030 1 207 26 26 THR HB H 4.050 0.030 1 208 26 26 THR HG2 H 1.126 0.030 1 209 26 26 THR C C 172.759 0.300 1 210 26 26 THR CA C 60.393 0.300 1 211 26 26 THR CB C 72.267 0.300 1 212 26 26 THR CG2 C 21.436 0.300 1 213 26 26 THR N N 120.732 0.300 1 214 27 27 VAL H H 8.253 0.030 1 215 27 27 VAL HA H 4.957 0.030 1 216 27 27 VAL HB H 1.690 0.030 1 217 27 27 VAL HG1 H 0.689 0.030 1 218 27 27 VAL HG2 H 0.650 0.030 1 219 27 27 VAL C C 173.824 0.300 1 220 27 27 VAL CA C 60.354 0.300 1 221 27 27 VAL CB C 35.241 0.300 1 222 27 27 VAL CG1 C 21.637 0.300 2 223 27 27 VAL CG2 C 22.113 0.300 2 224 27 27 VAL N N 120.154 0.300 1 225 28 28 PHE H H 8.814 0.030 1 226 28 28 PHE HA H 4.879 0.030 1 227 28 28 PHE HB2 H 3.135 0.030 2 228 28 28 PHE HB3 H 2.959 0.030 2 229 28 28 PHE HD1 H 7.222 0.030 1 230 28 28 PHE HD2 H 7.222 0.030 1 231 28 28 PHE HE1 H 7.296 0.030 1 232 28 28 PHE HE2 H 7.296 0.030 1 233 28 28 PHE C C 173.762 0.300 1 234 28 28 PHE CA C 56.314 0.300 1 235 28 28 PHE CB C 42.719 0.300 1 236 28 28 PHE CD1 C 132.312 0.300 1 237 28 28 PHE CD2 C 132.312 0.300 1 238 28 28 PHE CE1 C 131.189 0.300 1 239 28 28 PHE CE2 C 131.189 0.300 1 240 28 28 PHE N N 123.261 0.300 1 241 29 29 LEU H H 8.764 0.030 1 242 29 29 LEU HA H 4.574 0.030 1 243 29 29 LEU HB2 H 1.953 0.030 2 244 29 29 LEU HB3 H 1.296 0.030 2 245 29 29 LEU HD1 H 1.116 0.030 1 246 29 29 LEU HD2 H 0.899 0.030 1 247 29 29 LEU HG H 1.561 0.030 1 248 29 29 LEU C C 175.121 0.300 1 249 29 29 LEU CA C 54.603 0.300 1 250 29 29 LEU CB C 43.502 0.300 1 251 29 29 LEU CD1 C 26.854 0.300 2 252 29 29 LEU CD2 C 23.547 0.300 2 253 29 29 LEU CG C 27.098 0.300 1 254 29 29 LEU N N 125.874 0.300 1 255 30 30 ASN H H 8.864 0.030 1 256 30 30 ASN HA H 4.830 0.030 1 257 30 30 ASN HB2 H 3.078 0.030 2 258 30 30 ASN HB3 H 2.903 0.030 2 259 30 30 ASN HD21 H 7.789 0.030 2 260 30 30 ASN HD22 H 7.214 0.030 2 261 30 30 ASN CA C 52.308 0.300 1 262 30 30 ASN CB C 38.358 0.300 1 263 30 30 ASN ND2 N 113.370 0.300 1 264 31 31 GLU H H 8.950 0.030 1 265 31 31 GLU HA H 4.128 0.030 1 266 31 31 GLU HB2 H 2.133 0.030 2 267 31 31 GLU HB3 H 2.079 0.030 2 268 31 31 GLU HG2 H 2.362 0.030 2 269 31 31 GLU HG3 H 2.323 0.030 2 270 31 31 GLU CA C 59.649 0.300 1 271 31 31 GLU CB C 29.813 0.300 1 272 31 31 GLU CG C 36.966 0.300 1 273 31 31 GLU N N 123.112 0.300 1 274 32 32 SER HA H 4.566 0.030 1 275 32 32 SER CA C 58.558 0.300 1 276 33 33 SER H H 8.341 0.030 1 277 33 33 SER HA H 4.461 0.030 1 278 33 33 SER HB2 H 3.880 0.030 1 279 33 33 SER HB3 H 3.880 0.030 1 280 33 33 SER CA C 58.363 0.300 1 281 33 33 SER CB C 63.500 0.300 1 282 33 33 SER N N 117.955 0.300 1 283 34 34 ASP CA C 58.334 0.300 1 284 35 35 ASN H H 7.906 0.030 1 285 35 35 ASN HA H 5.289 0.030 1 286 35 35 ASN HB2 H 2.414 0.030 1 287 35 35 ASN HB3 H 2.414 0.030 1 288 35 35 ASN HD21 H 7.089 0.030 2 289 35 35 ASN HD22 H 6.713 0.030 2 290 35 35 ASN C C 172.550 0.300 1 291 35 35 ASN CA C 52.491 0.300 1 292 35 35 ASN CB C 42.776 0.300 1 293 35 35 ASN N N 115.775 0.300 1 294 35 35 ASN ND2 N 112.390 0.300 1 295 36 36 VAL H H 9.302 0.030 1 296 36 36 VAL HA H 4.572 0.030 1 297 36 36 VAL HB H 1.931 0.030 1 298 36 36 VAL HG1 H 0.866 0.030 1 299 36 36 VAL HG2 H 0.677 0.030 1 300 36 36 VAL C C 173.937 0.300 1 301 36 36 VAL CA C 61.189 0.300 1 302 36 36 VAL CB C 33.644 0.300 1 303 36 36 VAL CG1 C 21.787 0.300 2 304 36 36 VAL CG2 C 22.230 0.300 2 305 36 36 VAL N N 119.229 0.300 1 306 37 37 ASP H H 9.116 0.030 1 307 37 37 ASP HA H 5.188 0.030 1 308 37 37 ASP HB2 H 2.531 0.030 2 309 37 37 ASP HB3 H 2.371 0.030 2 310 37 37 ASP C C 175.140 0.300 1 311 37 37 ASP CA C 53.829 0.300 1 312 37 37 ASP CB C 43.535 0.300 1 313 37 37 ASP N N 127.397 0.300 1 314 38 38 ILE H H 9.007 0.030 1 315 38 38 ILE HA H 5.058 0.030 1 316 38 38 ILE HB H 1.752 0.030 1 317 38 38 ILE HD1 H 0.647 0.030 1 318 38 38 ILE HG12 H 1.651 0.030 2 319 38 38 ILE HG13 H 0.866 0.030 2 320 38 38 ILE HG2 H 1.015 0.030 1 321 38 38 ILE C C 174.726 0.300 1 322 38 38 ILE CA C 60.155 0.300 1 323 38 38 ILE CB C 41.536 0.300 1 324 38 38 ILE CD1 C 15.251 0.300 1 325 38 38 ILE CG1 C 28.174 0.300 1 326 38 38 ILE CG2 C 18.904 0.300 1 327 38 38 ILE N N 125.750 0.300 1 328 39 39 ARG H H 9.023 0.030 1 329 39 39 ARG HA H 5.021 0.030 1 330 39 39 ARG HB2 H 1.840 0.030 2 331 39 39 ARG HB3 H 1.728 0.030 2 332 39 39 ARG HD2 H 3.072 0.030 2 333 39 39 ARG HD3 H 2.972 0.030 2 334 39 39 ARG HG2 H 1.511 0.030 1 335 39 39 ARG HG3 H 1.511 0.030 1 336 39 39 ARG C C 174.312 0.300 1 337 39 39 ARG CA C 55.008 0.300 1 338 39 39 ARG CB C 34.253 0.300 1 339 39 39 ARG CD C 43.858 0.300 1 340 39 39 ARG CG C 27.593 0.300 1 341 39 39 ARG N N 125.565 0.300 1 342 40 40 TRP H H 7.408 0.030 1 343 40 40 TRP HA H 4.993 0.030 1 344 40 40 TRP HB2 H 3.360 0.030 2 345 40 40 TRP HB3 H 2.864 0.030 2 346 40 40 TRP HD1 H 6.368 0.030 1 347 40 40 TRP HE1 H 6.484 0.030 1 348 40 40 TRP HE3 H 6.828 0.030 1 349 40 40 TRP HH2 H 6.573 0.030 1 350 40 40 TRP HZ2 H 6.516 0.030 1 351 40 40 TRP HZ3 H 6.430 0.030 1 352 40 40 TRP C C 173.149 0.300 1 353 40 40 TRP CA C 56.946 0.300 1 354 40 40 TRP CB C 31.343 0.300 1 355 40 40 TRP CD1 C 124.669 0.300 1 356 40 40 TRP CE3 C 121.733 0.300 1 357 40 40 TRP CH2 C 123.742 0.300 1 358 40 40 TRP CZ2 C 113.176 0.300 1 359 40 40 TRP CZ3 C 120.417 0.300 1 360 40 40 TRP N N 116.011 0.300 1 361 40 40 TRP NE1 N 124.088 0.300 1 362 41 41 MET H H 8.837 0.030 1 363 41 41 MET HA H 4.739 0.030 1 364 41 41 MET HB2 H 2.078 0.030 2 365 41 41 MET HB3 H 1.840 0.030 2 366 41 41 MET HE H 2.116 0.030 1 367 41 41 MET HG2 H 2.595 0.030 1 368 41 41 MET HG3 H 2.595 0.030 1 369 41 41 MET C C 175.354 0.300 1 370 41 41 MET CA C 53.723 0.300 1 371 41 41 MET CB C 35.494 0.300 1 372 41 41 MET CE C 17.179 0.300 1 373 41 41 MET CG C 32.167 0.300 1 374 41 41 MET N N 117.621 0.300 1 375 42 42 LYS H H 8.475 0.030 1 376 42 42 LYS HA H 4.687 0.030 1 377 42 42 LYS HB2 H 1.935 0.030 2 378 42 42 LYS HB3 H 1.817 0.030 2 379 42 42 LYS HD2 H 1.801 0.030 2 380 42 42 LYS HD3 H 1.714 0.030 2 381 42 42 LYS HE2 H 3.048 0.030 1 382 42 42 LYS HE3 H 3.048 0.030 1 383 42 42 LYS HG2 H 1.678 0.030 2 384 42 42 LYS HG3 H 1.598 0.030 2 385 42 42 LYS C C 174.005 0.300 1 386 42 42 LYS CA C 54.568 0.300 1 387 42 42 LYS CB C 32.990 0.300 1 388 42 42 LYS CD C 29.789 0.300 1 389 42 42 LYS CE C 42.176 0.300 1 390 42 42 LYS CG C 23.599 0.300 1 391 42 42 LYS N N 125.944 0.300 1 392 43 43 PRO HA H 4.741 0.030 1 393 43 43 PRO HB2 H 2.188 0.030 2 394 43 43 PRO HB3 H 1.823 0.030 2 395 43 43 PRO HD2 H 4.102 0.030 2 396 43 43 PRO HD3 H 3.917 0.030 2 397 43 43 PRO HG2 H 2.048 0.030 2 398 43 43 PRO HG3 H 1.790 0.030 2 399 43 43 PRO CA C 60.651 0.300 1 400 43 43 PRO CB C 30.828 0.300 1 401 43 43 PRO CD C 50.546 0.300 1 402 43 43 PRO CG C 26.835 0.300 1 403 44 44 PRO HA H 4.570 0.030 1 404 44 44 PRO HB2 H 2.211 0.030 2 405 44 44 PRO HB3 H 1.975 0.030 2 406 44 44 PRO HD2 H 3.727 0.030 2 407 44 44 PRO HD3 H 3.549 0.030 2 408 44 44 PRO HG2 H 2.068 0.030 1 409 44 44 PRO HG3 H 2.068 0.030 1 410 44 44 PRO C C 176.343 0.300 1 411 44 44 PRO CA C 62.734 0.300 1 412 44 44 PRO CB C 31.100 0.300 1 413 44 44 PRO CD C 50.306 0.300 1 414 44 44 PRO CG C 27.553 0.300 1 415 45 45 THR H H 8.089 0.030 1 416 45 45 THR HA H 4.393 0.030 1 417 45 45 THR HB H 4.325 0.030 1 418 45 45 THR HG2 H 1.138 0.030 1 419 45 45 THR C C 174.591 0.300 1 420 45 45 THR CA C 61.280 0.300 1 421 45 45 THR CB C 70.470 0.300 1 422 45 45 THR CG2 C 21.875 0.300 1 423 45 45 THR N N 114.434 0.300 1 424 46 46 LYS H H 8.786 0.030 1 425 46 46 LYS HA H 4.525 0.030 1 426 46 46 LYS HB2 H 1.925 0.030 2 427 46 46 LYS HB3 H 1.737 0.030 2 428 46 46 LYS HD2 H 1.673 0.030 1 429 46 46 LYS HD3 H 1.673 0.030 1 430 46 46 LYS HE2 H 2.958 0.030 1 431 46 46 LYS HE3 H 2.958 0.030 1 432 46 46 LYS HG2 H 1.429 0.030 1 433 46 46 LYS HG3 H 1.429 0.030 1 434 46 46 LYS C C 177.986 0.300 1 435 46 46 LYS CA C 55.241 0.300 1 436 46 46 LYS CB C 33.686 0.300 1 437 46 46 LYS CD C 29.029 0.300 1 438 46 46 LYS CE C 42.107 0.300 1 439 46 46 LYS CG C 24.835 0.300 1 440 46 46 LYS N N 123.218 0.300 1 441 47 47 GLN HA H 4.037 0.030 1 442 47 47 GLN HB2 H 2.078 0.030 1 443 47 47 GLN HB3 H 2.078 0.030 1 444 47 47 GLN HG2 H 2.396 0.030 1 445 47 47 GLN HG3 H 2.396 0.030 1 446 47 47 GLN C C 177.577 0.300 1 447 47 47 GLN CA C 58.631 0.300 1 448 47 47 GLN CB C 28.636 0.300 1 449 47 47 GLN CG C 33.814 0.300 1 450 48 48 GLN H H 8.661 0.030 1 451 48 48 GLN HA H 4.176 0.030 1 452 48 48 GLN HB2 H 2.096 0.030 2 453 48 48 GLN HB3 H 2.040 0.030 2 454 48 48 GLN HE21 H 7.666 0.030 2 455 48 48 GLN HE22 H 6.834 0.030 2 456 48 48 GLN HG2 H 2.372 0.030 1 457 48 48 GLN HG3 H 2.372 0.030 1 458 48 48 GLN C C 175.765 0.300 1 459 48 48 GLN CA C 57.190 0.300 1 460 48 48 GLN CB C 28.336 0.300 1 461 48 48 GLN CG C 33.732 0.300 1 462 48 48 GLN N N 116.721 0.300 1 463 48 48 GLN NE2 N 112.544 0.300 1 464 49 49 ASP H H 7.788 0.030 1 465 49 49 ASP HA H 4.531 0.030 1 466 49 49 ASP HB2 H 2.808 0.030 2 467 49 49 ASP HB3 H 2.719 0.030 2 468 49 49 ASP C C 176.823 0.300 1 469 49 49 ASP CA C 55.240 0.300 1 470 49 49 ASP CB C 41.311 0.300 1 471 49 49 ASP N N 120.255 0.300 1 472 50 50 GLY H H 7.858 0.030 1 473 50 50 GLY HA2 H 3.953 0.030 1 474 50 50 GLY HA3 H 3.953 0.030 1 475 50 50 GLY C C 173.062 0.300 1 476 50 50 GLY CA C 44.642 0.300 1 477 50 50 GLY N N 106.265 0.300 1 478 51 51 GLU H H 8.286 0.030 1 479 51 51 GLU HA H 4.169 0.030 1 480 51 51 GLU HB2 H 1.896 0.030 2 481 51 51 GLU HG2 H 2.287 0.030 2 482 51 51 GLU HG3 H 2.197 0.030 2 483 51 51 GLU C C 176.485 0.300 1 484 51 51 GLU CA C 56.257 0.300 1 485 51 51 GLU CB C 30.643 0.300 1 486 51 51 GLU CG C 36.016 0.300 1 487 51 51 GLU N N 119.701 0.300 1 488 52 52 LEU H H 8.436 0.030 1 489 52 52 LEU HA H 4.264 0.030 1 490 52 52 LEU HB2 H 1.650 0.030 2 491 52 52 LEU HB3 H 1.505 0.030 2 492 52 52 LEU HD1 H 0.862 0.030 1 493 52 52 LEU HD2 H 0.786 0.030 1 494 52 52 LEU HG H 1.581 0.030 1 495 52 52 LEU C C 177.422 0.300 1 496 52 52 LEU CA C 56.179 0.300 1 497 52 52 LEU CB C 42.341 0.300 1 498 52 52 LEU CD1 C 25.328 0.300 2 499 52 52 LEU CD2 C 24.934 0.300 2 500 52 52 LEU CG C 27.636 0.300 1 501 52 52 LEU N N 124.184 0.300 1 502 53 53 VAL H H 8.975 0.030 1 503 53 53 VAL HA H 4.364 0.030 1 504 53 53 VAL HB H 2.060 0.030 1 505 53 53 VAL HG1 H 0.794 0.030 1 506 53 53 VAL HG2 H 0.517 0.030 1 507 53 53 VAL C C 175.711 0.300 1 508 53 53 VAL CA C 61.361 0.300 1 509 53 53 VAL CB C 32.964 0.300 1 510 53 53 VAL CG1 C 21.087 0.300 2 511 53 53 VAL CG2 C 19.364 0.300 2 512 53 53 VAL N N 118.221 0.300 1 513 54 54 GLY H H 7.419 0.030 1 514 54 54 GLY HA2 H 4.484 0.030 2 515 54 54 GLY HA3 H 3.584 0.030 2 516 54 54 GLY C C 169.538 0.300 1 517 54 54 GLY CA C 45.276 0.300 1 518 54 54 GLY N N 107.711 0.300 1 519 55 55 TYR H H 8.645 0.030 1 520 55 55 TYR HA H 5.277 0.030 1 521 55 55 TYR HB2 H 2.399 0.030 2 522 55 55 TYR HB3 H 2.295 0.030 2 523 55 55 TYR HD1 H 6.926 0.030 1 524 55 55 TYR HD2 H 6.926 0.030 1 525 55 55 TYR HE1 H 6.855 0.030 1 526 55 55 TYR HE2 H 6.855 0.030 1 527 55 55 TYR C C 174.586 0.300 1 528 55 55 TYR CA C 56.556 0.300 1 529 55 55 TYR CB C 42.323 0.300 1 530 55 55 TYR CD1 C 133.887 0.300 1 531 55 55 TYR CD2 C 133.887 0.300 1 532 55 55 TYR CE1 C 117.697 0.300 1 533 55 55 TYR CE2 C 117.697 0.300 1 534 55 55 TYR N N 113.555 0.300 1 535 56 56 ARG H H 9.222 0.030 1 536 56 56 ARG HA H 5.057 0.030 1 537 56 56 ARG HB2 H 1.570 0.030 1 538 56 56 ARG HB3 H 1.570 0.030 1 539 56 56 ARG HD2 H 3.232 0.030 2 540 56 56 ARG HD3 H 2.994 0.030 2 541 56 56 ARG HE H 8.098 0.030 1 542 56 56 ARG HG2 H 1.581 0.030 2 543 56 56 ARG HG3 H 1.435 0.030 2 544 56 56 ARG C C 174.121 0.300 1 545 56 56 ARG CA C 54.515 0.300 1 546 56 56 ARG CB C 33.196 0.300 1 547 56 56 ARG CD C 43.773 0.300 1 548 56 56 ARG CG C 27.636 0.300 1 549 56 56 ARG N N 121.855 0.300 1 550 56 56 ARG NE N 83.722 0.300 1 551 57 57 ILE H H 9.337 0.030 1 552 57 57 ILE HA H 4.543 0.030 1 553 57 57 ILE HB H 1.829 0.030 1 554 57 57 ILE HD1 H 0.556 0.030 1 555 57 57 ILE HG12 H 1.239 0.030 2 556 57 57 ILE HG13 H 0.445 0.030 2 557 57 57 ILE HG2 H 0.633 0.030 1 558 57 57 ILE C C 175.752 0.300 1 559 57 57 ILE CA C 60.305 0.300 1 560 57 57 ILE CB C 39.869 0.300 1 561 57 57 ILE CD1 C 14.954 0.300 1 562 57 57 ILE CG1 C 27.142 0.300 1 563 57 57 ILE CG2 C 17.220 0.300 1 564 57 57 ILE N N 123.940 0.300 1 565 58 58 SER H H 9.329 0.030 1 566 58 58 SER HA H 5.267 0.030 1 567 58 58 SER HB2 H 3.491 0.030 2 568 58 58 SER HB3 H 3.408 0.030 2 569 58 58 SER C C 173.736 0.300 1 570 58 58 SER CA C 55.923 0.300 1 571 58 58 SER CB C 63.417 0.300 1 572 58 58 SER N N 122.987 0.300 1 573 59 59 HIS H H 8.857 0.030 1 574 59 59 HIS HA H 5.415 0.030 1 575 59 59 HIS HB2 H 2.684 0.030 2 576 59 59 HIS HB3 H 2.528 0.030 2 577 59 59 HIS HD2 H 6.755 0.030 1 578 59 59 HIS HE1 H 7.738 0.030 1 579 59 59 HIS C C 172.800 0.300 1 580 59 59 HIS CA C 53.371 0.300 1 581 59 59 HIS CB C 32.665 0.300 1 582 59 59 HIS CD2 C 115.775 0.300 1 583 59 59 HIS CE1 C 137.963 0.300 1 584 59 59 HIS N N 125.692 0.300 1 585 60 60 VAL H H 8.419 0.030 1 586 60 60 VAL HA H 4.945 0.030 1 587 60 60 VAL HB H 1.735 0.030 1 588 60 60 VAL HG1 H 0.824 0.030 1 589 60 60 VAL HG2 H 0.796 0.030 1 590 60 60 VAL C C 175.829 0.300 1 591 60 60 VAL CA C 60.463 0.300 1 592 60 60 VAL CB C 34.267 0.300 1 593 60 60 VAL CG1 C 21.375 0.300 2 594 60 60 VAL CG2 C 21.176 0.300 2 595 60 60 VAL N N 123.929 0.300 1 596 61 61 TRP H H 9.473 0.030 1 597 61 61 TRP HA H 5.199 0.030 1 598 61 61 TRP HB2 H 2.979 0.030 2 599 61 61 TRP HB3 H 2.917 0.030 2 600 61 61 TRP HD1 H 7.260 0.030 1 601 61 61 TRP HE1 H 14.392 0.030 1 602 61 61 TRP HE3 H 7.193 0.030 1 603 61 61 TRP HH2 H 6.946 0.030 1 604 61 61 TRP HZ2 H 7.441 0.030 1 605 61 61 TRP HZ3 H 7.442 0.030 1 606 61 61 TRP C C 175.762 0.300 1 607 61 61 TRP CA C 55.431 0.300 1 608 61 61 TRP CB C 30.069 0.300 1 609 61 61 TRP CD1 C 128.949 0.300 1 610 61 61 TRP CE3 C 121.833 0.300 1 611 61 61 TRP CH2 C 122.667 0.300 1 612 61 61 TRP CZ2 C 115.996 0.300 1 613 61 61 TRP CZ3 C 120.499 0.300 1 614 61 61 TRP N N 131.599 0.300 1 615 61 61 TRP NE1 N 144.357 0.300 1 616 62 62 GLN H H 8.854 0.030 1 617 62 62 GLN HA H 5.389 0.030 1 618 62 62 GLN HB2 H 2.076 0.030 2 619 62 62 GLN HB3 H 1.872 0.030 2 620 62 62 GLN HE21 H 7.481 0.030 2 621 62 62 GLN HE22 H 6.836 0.030 2 622 62 62 GLN HG2 H 2.310 0.030 2 623 62 62 GLN HG3 H 2.175 0.030 2 624 62 62 GLN C C 174.641 0.300 1 625 62 62 GLN CA C 54.832 0.300 1 626 62 62 GLN CB C 32.496 0.300 1 627 62 62 GLN CG C 34.441 0.300 1 628 62 62 GLN N N 122.154 0.300 1 629 62 62 GLN NE2 N 112.579 0.300 1 630 63 63 SER H H 8.785 0.030 1 631 63 63 SER HA H 4.799 0.030 1 632 63 63 SER HB2 H 4.091 0.030 2 633 63 63 SER HB3 H 3.739 0.030 2 634 63 63 SER C C 174.282 0.300 1 635 63 63 SER CA C 56.961 0.300 1 636 63 63 SER CB C 65.231 0.300 1 637 63 63 SER N N 120.205 0.300 1 638 64 64 ALA H H 8.953 0.030 1 639 64 64 ALA HA H 4.189 0.030 1 640 64 64 ALA HB H 1.473 0.030 1 641 64 64 ALA C C 178.112 0.300 1 642 64 64 ALA CA C 54.297 0.300 1 643 64 64 ALA CB C 17.554 0.300 1 644 64 64 ALA N N 126.963 0.300 1 645 65 65 GLY H H 8.632 0.030 1 646 65 65 GLY HA2 H 4.007 0.030 2 647 65 65 GLY HA3 H 3.914 0.030 2 648 65 65 GLY C C 173.908 0.300 1 649 65 65 GLY CA C 45.627 0.300 1 650 65 65 GLY N N 107.972 0.300 1 651 66 66 ILE H H 8.003 0.030 1 652 66 66 ILE HA H 4.446 0.030 1 653 66 66 ILE HB H 1.860 0.030 1 654 66 66 ILE HD1 H 0.862 0.030 1 655 66 66 ILE HG12 H 1.492 0.030 2 656 66 66 ILE HG13 H 1.137 0.030 2 657 66 66 ILE HG2 H 0.846 0.030 1 658 66 66 ILE C C 174.818 0.300 1 659 66 66 ILE CA C 60.358 0.300 1 660 66 66 ILE CB C 40.487 0.300 1 661 66 66 ILE CD1 C 12.899 0.300 1 662 66 66 ILE CG1 C 27.472 0.300 1 663 66 66 ILE CG2 C 17.297 0.300 1 664 66 66 ILE N N 121.487 0.300 1 665 67 67 SER H H 8.450 0.030 1 666 67 67 SER HA H 5.404 0.030 1 667 67 67 SER HB2 H 3.730 0.030 2 668 67 67 SER HB3 H 3.682 0.030 2 669 67 67 SER C C 173.789 0.300 1 670 67 67 SER CA C 57.067 0.300 1 671 67 67 SER CB C 64.721 0.300 1 672 67 67 SER N N 121.484 0.300 1 673 68 68 LYS H H 8.967 0.030 1 674 68 68 LYS HA H 4.714 0.030 1 675 68 68 LYS HB2 H 1.749 0.030 2 676 68 68 LYS HB3 H 1.650 0.030 2 677 68 68 LYS HD2 H 1.528 0.030 2 678 68 68 LYS HD3 H 1.466 0.030 2 679 68 68 LYS HE2 H 2.821 0.030 1 680 68 68 LYS HE3 H 2.821 0.030 1 681 68 68 LYS HG2 H 1.300 0.030 1 682 68 68 LYS HG3 H 1.300 0.030 1 683 68 68 LYS C C 174.026 0.300 1 684 68 68 LYS CA C 55.255 0.300 1 685 68 68 LYS CB C 35.908 0.300 1 686 68 68 LYS CD C 29.530 0.300 1 687 68 68 LYS CE C 41.805 0.300 1 688 68 68 LYS CG C 24.588 0.300 1 689 68 68 LYS N N 125.070 0.300 1 690 69 69 GLU H H 8.771 0.030 1 691 69 69 GLU HA H 4.775 0.030 1 692 69 69 GLU HB2 H 1.920 0.030 1 693 69 69 GLU HB3 H 1.920 0.030 1 694 69 69 GLU HG2 H 2.055 0.030 2 695 69 69 GLU HG3 H 2.010 0.030 2 696 69 69 GLU C C 174.339 0.300 1 697 69 69 GLU CA C 55.553 0.300 1 698 69 69 GLU CB C 30.436 0.300 1 699 69 69 GLU CG C 35.935 0.300 1 700 69 69 GLU N N 125.787 0.300 1 701 70 70 LEU H H 8.461 0.030 1 702 70 70 LEU HA H 4.666 0.030 1 703 70 70 LEU HB2 H 1.139 0.030 2 704 70 70 LEU HB3 H 0.517 0.030 2 705 70 70 LEU HD1 H 0.776 0.030 1 706 70 70 LEU HD2 H 0.848 0.030 1 707 70 70 LEU HG H 1.395 0.030 1 708 70 70 LEU C C 175.490 0.300 1 709 70 70 LEU CA C 54.251 0.300 1 710 70 70 LEU CB C 44.440 0.300 1 711 70 70 LEU CD1 C 26.017 0.300 2 712 70 70 LEU CD2 C 24.231 0.300 2 713 70 70 LEU CG C 28.094 0.300 1 714 70 70 LEU N N 127.604 0.300 1 715 71 71 LEU H H 8.242 0.030 1 716 71 71 LEU HA H 5.536 0.030 1 717 71 71 LEU HB2 H 1.513 0.030 1 718 71 71 LEU HB3 H 1.513 0.030 1 719 71 71 LEU HD1 H 0.867 0.030 1 720 71 71 LEU HD2 H 0.865 0.030 1 721 71 71 LEU HG H 1.471 0.030 1 722 71 71 LEU C C 176.231 0.300 1 723 71 71 LEU CA C 53.705 0.300 1 724 71 71 LEU CB C 45.985 0.300 1 725 71 71 LEU CD1 C 24.670 0.300 2 726 71 71 LEU CD2 C 24.423 0.300 2 727 71 71 LEU CG C 27.142 0.300 1 728 71 71 LEU N N 122.021 0.300 1 729 72 72 GLU H H 9.375 0.030 1 730 72 72 GLU HA H 4.918 0.030 1 731 72 72 GLU HB2 H 2.118 0.030 2 732 72 72 GLU HB3 H 1.929 0.030 2 733 72 72 GLU HG2 H 2.227 0.030 2 734 72 72 GLU HG3 H 2.185 0.030 2 735 72 72 GLU C C 175.115 0.300 1 736 72 72 GLU CA C 54.075 0.300 1 737 72 72 GLU CB C 32.851 0.300 1 738 72 72 GLU CG C 35.215 0.300 1 739 72 72 GLU N N 124.343 0.300 1 740 73 73 GLU H H 8.937 0.030 1 741 73 73 GLU HA H 5.119 0.030 1 742 73 73 GLU HB2 H 2.069 0.030 2 743 73 73 GLU HB3 H 1.939 0.030 2 744 73 73 GLU HG2 H 2.257 0.030 2 745 73 73 GLU HG3 H 2.103 0.030 2 746 73 73 GLU C C 175.904 0.300 1 747 73 73 GLU CA C 55.624 0.300 1 748 73 73 GLU CB C 31.219 0.300 1 749 73 73 GLU CG C 36.615 0.300 1 750 73 73 GLU N N 125.081 0.300 1 751 74 74 VAL H H 8.713 0.030 1 752 74 74 VAL HA H 4.763 0.030 1 753 74 74 VAL HB H 2.363 0.030 1 754 74 74 VAL HG1 H 1.281 0.030 1 755 74 74 VAL HG2 H 1.128 0.030 1 756 74 74 VAL C C 176.007 0.300 1 757 74 74 VAL CA C 60.076 0.300 1 758 74 74 VAL CB C 35.504 0.300 1 759 74 74 VAL CG1 C 21.719 0.300 2 760 74 74 VAL CG2 C 20.698 0.300 2 761 74 74 VAL N N 120.393 0.300 1 762 75 75 GLY H H 8.695 0.030 1 763 75 75 GLY HA2 H 4.557 0.030 2 764 75 75 GLY HA3 H 4.086 0.030 2 765 75 75 GLY C C 174.253 0.300 1 766 75 75 GLY CA C 45.329 0.300 1 767 75 75 GLY N N 110.381 0.300 1 768 76 76 GLN H H 8.365 0.030 1 769 76 76 GLN HA H 4.122 0.030 1 770 76 76 GLN HB2 H 2.126 0.030 2 771 76 76 GLN HB3 H 1.776 0.030 2 772 76 76 GLN HE21 H 7.538 0.030 2 773 76 76 GLN HE22 H 6.888 0.030 2 774 76 76 GLN HG2 H 2.359 0.030 2 775 76 76 GLN HG3 H 2.302 0.030 2 776 76 76 GLN C C 175.922 0.300 1 777 76 76 GLN CA C 57.490 0.300 1 778 76 76 GLN CB C 28.808 0.300 1 779 76 76 GLN CG C 32.890 0.300 1 780 76 76 GLN N N 116.187 0.300 1 781 76 76 GLN NE2 N 111.719 0.300 1 782 77 77 ASN H H 8.681 0.030 1 783 77 77 ASN HA H 4.824 0.030 1 784 77 77 ASN HB2 H 2.939 0.030 2 785 77 77 ASN HB3 H 2.839 0.030 2 786 77 77 ASN HD21 H 7.678 0.030 2 787 77 77 ASN HD22 H 7.007 0.030 2 788 77 77 ASN C C 175.543 0.300 1 789 77 77 ASN CA C 53.530 0.300 1 790 77 77 ASN CB C 38.327 0.300 1 791 77 77 ASN N N 118.065 0.300 1 792 77 77 ASN ND2 N 113.431 0.300 1 793 78 78 GLY H H 8.199 0.030 1 794 78 78 GLY HA2 H 4.027 0.030 2 795 78 78 GLY HA3 H 3.897 0.030 2 796 78 78 GLY C C 173.131 0.300 1 797 78 78 GLY CA C 45.768 0.300 1 798 78 78 GLY N N 109.765 0.300 1 799 79 79 SER H H 8.259 0.030 1 800 79 79 SER HA H 3.035 0.030 1 801 79 79 SER HB2 H 3.328 0.030 2 802 79 79 SER HB3 H 3.108 0.030 2 803 79 79 SER C C 171.022 0.300 1 804 79 79 SER CA C 56.445 0.300 1 805 79 79 SER CB C 62.985 0.300 1 806 79 79 SER N N 111.528 0.300 1 807 80 80 ARG H H 6.676 0.030 1 808 80 80 ARG HA H 4.872 0.030 1 809 80 80 ARG HB2 H 1.567 0.030 1 810 80 80 ARG HB3 H 1.567 0.030 1 811 80 80 ARG HD2 H 2.943 0.030 2 812 80 80 ARG HD3 H 2.813 0.030 2 813 80 80 ARG HG2 H 1.409 0.030 2 814 80 80 ARG HG3 H 1.364 0.030 2 815 80 80 ARG C C 174.666 0.300 1 816 80 80 ARG CA C 54.058 0.300 1 817 80 80 ARG CB C 33.526 0.300 1 818 80 80 ARG CD C 43.934 0.300 1 819 80 80 ARG CG C 25.879 0.300 1 820 80 80 ARG N N 117.516 0.300 1 821 81 81 ALA H H 9.382 0.030 1 822 81 81 ALA HA H 4.688 0.030 1 823 81 81 ALA HB H 1.437 0.030 1 824 81 81 ALA C C 174.519 0.300 1 825 81 81 ALA CA C 51.729 0.300 1 826 81 81 ALA CB C 22.821 0.300 1 827 81 81 ALA N N 123.981 0.300 1 828 82 82 ARG H H 8.463 0.030 1 829 82 82 ARG HA H 5.431 0.030 1 830 82 82 ARG HB2 H 1.715 0.030 2 831 82 82 ARG HB3 H 1.648 0.030 2 832 82 82 ARG HD2 H 3.037 0.030 2 833 82 82 ARG HD3 H 2.993 0.030 2 834 82 82 ARG HG2 H 1.435 0.030 1 835 82 82 ARG HG3 H 1.435 0.030 1 836 82 82 ARG C C 175.427 0.300 1 837 82 82 ARG CA C 54.847 0.300 1 838 82 82 ARG CB C 32.945 0.300 1 839 82 82 ARG CD C 43.556 0.300 1 840 82 82 ARG CG C 27.067 0.300 1 841 82 82 ARG N N 121.966 0.300 1 842 83 83 ILE H H 8.816 0.030 1 843 83 83 ILE HA H 4.587 0.030 1 844 83 83 ILE HB H 1.618 0.030 1 845 83 83 ILE HD1 H 0.220 0.030 1 846 83 83 ILE HG12 H 1.243 0.030 2 847 83 83 ILE HG13 H 0.840 0.030 2 848 83 83 ILE HG2 H 0.619 0.030 1 849 83 83 ILE C C 175.252 0.300 1 850 83 83 ILE CA C 58.824 0.300 1 851 83 83 ILE CB C 41.408 0.300 1 852 83 83 ILE CD1 C 12.323 0.300 1 853 83 83 ILE CG1 C 26.444 0.300 1 854 83 83 ILE CG2 C 16.602 0.300 1 855 83 83 ILE N N 122.127 0.300 1 856 84 84 SER H H 8.779 0.030 1 857 84 84 SER HA H 4.545 0.030 1 858 84 84 SER HB2 H 3.779 0.030 2 859 84 84 SER HB3 H 3.664 0.030 2 860 84 84 SER C C 174.666 0.300 1 861 84 84 SER CA C 58.270 0.300 1 862 84 84 SER CB C 63.412 0.300 1 863 84 84 SER N N 121.307 0.300 1 864 85 85 VAL H H 7.785 0.030 1 865 85 85 VAL HA H 3.559 0.030 1 866 85 85 VAL HB H 1.521 0.030 1 867 85 85 VAL HG1 H 0.021 0.030 1 868 85 85 VAL HG2 H 0.717 0.030 1 869 85 85 VAL C C 176.966 0.300 1 870 85 85 VAL CA C 64.066 0.300 1 871 85 85 VAL CB C 31.766 0.300 1 872 85 85 VAL CG1 C 21.461 0.300 2 873 85 85 VAL CG2 C 22.860 0.300 2 874 85 85 VAL N N 122.607 0.300 1 875 86 86 GLN H H 4.276 0.030 1 876 86 86 GLN HA H 3.387 0.030 1 877 86 86 GLN HB2 H 1.252 0.030 2 878 86 86 GLN HB3 H -0.571 0.030 2 879 86 86 GLN HE21 H 7.481 0.030 2 880 86 86 GLN HE22 H 6.831 0.030 2 881 86 86 GLN HG2 H 1.691 0.030 2 882 86 86 GLN HG3 H 1.447 0.030 2 883 86 86 GLN C C 174.821 0.300 1 884 86 86 GLN CA C 55.518 0.300 1 885 86 86 GLN CB C 28.457 0.300 1 886 86 86 GLN CG C 32.403 0.300 1 887 86 86 GLN N N 125.546 0.300 1 888 86 86 GLN NE2 N 115.738 0.300 1 889 87 87 VAL H H 5.951 0.030 1 890 87 87 VAL HA H 3.947 0.030 1 891 87 87 VAL HB H 1.842 0.030 1 892 87 87 VAL HG1 H 0.923 0.030 1 893 87 87 VAL HG2 H 0.769 0.030 1 894 87 87 VAL C C 172.161 0.300 1 895 87 87 VAL CA C 60.803 0.300 1 896 87 87 VAL CB C 35.223 0.300 1 897 87 87 VAL CG1 C 21.181 0.300 2 898 87 87 VAL CG2 C 20.897 0.300 2 899 87 87 VAL N N 116.478 0.300 1 900 88 88 HIS H H 8.004 0.030 1 901 88 88 HIS HA H 4.337 0.030 1 902 88 88 HIS HB2 H 3.284 0.030 2 903 88 88 HIS HB3 H 2.824 0.030 2 904 88 88 HIS HD2 H 7.086 0.030 1 905 88 88 HIS HE1 H 8.015 0.030 1 906 88 88 HIS C C 175.536 0.300 1 907 88 88 HIS CA C 56.574 0.300 1 908 88 88 HIS CB C 31.178 0.300 1 909 88 88 HIS CD2 C 119.476 0.300 1 910 88 88 HIS CE1 C 137.362 0.300 1 911 88 88 HIS N N 120.399 0.300 1 912 89 89 ASN H H 7.715 0.030 1 913 89 89 ASN HA H 4.480 0.030 1 914 89 89 ASN HB2 H 3.614 0.030 2 915 89 89 ASN HB3 H 2.402 0.030 2 916 89 89 ASN HD21 H 7.724 0.030 2 917 89 89 ASN HD22 H 6.919 0.030 2 918 89 89 ASN C C 174.673 0.300 1 919 89 89 ASN CA C 54.110 0.300 1 920 89 89 ASN CB C 37.065 0.300 1 921 89 89 ASN N N 120.537 0.300 1 922 89 89 ASN ND2 N 110.949 0.300 1 923 90 90 ALA H H 7.871 0.030 1 924 90 90 ALA HA H 5.086 0.030 1 925 90 90 ALA HB H 1.184 0.030 1 926 90 90 ALA C C 175.461 0.300 1 927 90 90 ALA CA C 50.713 0.300 1 928 90 90 ALA CB C 24.468 0.300 1 929 90 90 ALA N N 120.652 0.300 1 930 91 91 THR H H 8.634 0.030 1 931 91 91 THR HA H 5.040 0.030 1 932 91 91 THR HB H 3.932 0.030 1 933 91 91 THR HG2 H 1.166 0.030 1 934 91 91 THR C C 173.475 0.300 1 935 91 91 THR CA C 60.886 0.300 1 936 91 91 THR CB C 70.799 0.300 1 937 91 91 THR CG2 C 21.787 0.300 1 938 91 91 THR N N 110.345 0.300 1 939 92 92 CYS H H 8.727 0.030 1 940 92 92 CYS HA H 4.541 0.030 1 941 92 92 CYS HB2 H 1.884 0.030 2 942 92 92 CYS HB3 H 0.868 0.030 2 943 92 92 CYS C C 173.558 0.300 1 944 92 92 CYS CA C 56.604 0.300 1 945 92 92 CYS CB C 27.871 0.300 1 946 92 92 CYS N N 124.972 0.300 1 947 93 93 THR H H 8.849 0.030 1 948 93 93 THR HA H 4.920 0.030 1 949 93 93 THR HB H 3.740 0.030 1 950 93 93 THR HG2 H 0.936 0.030 1 951 93 93 THR C C 174.757 0.300 1 952 93 93 THR CA C 61.836 0.300 1 953 93 93 THR CB C 69.463 0.300 1 954 93 93 THR CG2 C 22.116 0.300 1 955 93 93 THR N N 125.173 0.300 1 956 94 94 VAL H H 9.346 0.030 1 957 94 94 VAL HA H 5.068 0.030 1 958 94 94 VAL HB H 1.707 0.030 1 959 94 94 VAL HG1 H 0.637 0.030 1 960 94 94 VAL HG2 H 0.693 0.030 1 961 94 94 VAL C C 175.327 0.300 1 962 94 94 VAL CA C 61.167 0.300 1 963 94 94 VAL CB C 35.128 0.300 1 964 94 94 VAL CG1 C 21.398 0.300 2 965 94 94 VAL CG2 C 22.211 0.300 2 966 94 94 VAL N N 129.725 0.300 1 967 95 95 ARG H H 8.903 0.030 1 968 95 95 ARG HA H 4.458 0.030 1 969 95 95 ARG HB2 H 2.071 0.030 2 970 95 95 ARG HB3 H 1.374 0.030 2 971 95 95 ARG HD2 H 2.938 0.030 2 972 95 95 ARG HD3 H 2.813 0.030 2 973 95 95 ARG HE H 7.020 0.030 1 974 95 95 ARG HG2 H 1.640 0.030 2 975 95 95 ARG HG3 H 1.388 0.030 2 976 95 95 ARG C C 173.734 0.300 1 977 95 95 ARG CA C 55.250 0.300 1 978 95 95 ARG CB C 35.937 0.300 1 979 95 95 ARG CD C 43.947 0.300 1 980 95 95 ARG CG C 27.358 0.300 1 981 95 95 ARG N N 125.800 0.300 1 982 95 95 ARG NE N 83.618 0.300 1 983 96 96 ILE H H 9.081 0.030 1 984 96 96 ILE HA H 5.262 0.030 1 985 96 96 ILE HB H 1.074 0.030 1 986 96 96 ILE HD1 H -0.098 0.030 1 987 96 96 ILE HG12 H 1.066 0.030 2 988 96 96 ILE HG13 H 0.611 0.030 2 989 96 96 ILE HG2 H -0.074 0.030 1 990 96 96 ILE C C 173.800 0.300 1 991 96 96 ILE CA C 59.795 0.300 1 992 96 96 ILE CB C 40.699 0.300 1 993 96 96 ILE CD1 C 14.311 0.300 1 994 96 96 ILE CG1 C 27.389 0.300 1 995 96 96 ILE CG2 C 16.520 0.300 1 996 96 96 ILE N N 120.997 0.300 1 997 97 97 ALA H H 8.811 0.030 1 998 97 97 ALA HA H 4.625 0.030 1 999 97 97 ALA HB H 0.049 0.030 1 1000 97 97 ALA C C 176.521 0.300 1 1001 97 97 ALA CA C 50.291 0.300 1 1002 97 97 ALA CB C 22.448 0.300 1 1003 97 97 ALA N N 129.700 0.300 1 1004 98 98 ALA H H 9.400 0.030 1 1005 98 98 ALA HA H 4.480 0.030 1 1006 98 98 ALA HB H 1.241 0.030 1 1007 98 98 ALA C C 175.011 0.300 1 1008 98 98 ALA CA C 51.144 0.300 1 1009 98 98 ALA CB C 20.482 0.300 1 1010 98 98 ALA N N 123.529 0.300 1 1011 99 99 VAL H H 8.105 0.030 1 1012 99 99 VAL HA H 4.473 0.030 1 1013 99 99 VAL HB H 1.392 0.030 1 1014 99 99 VAL HG1 H 0.695 0.030 1 1015 99 99 VAL HG2 H 0.640 0.030 1 1016 99 99 VAL C C 175.918 0.300 1 1017 99 99 VAL CA C 61.555 0.300 1 1018 99 99 VAL CB C 34.045 0.300 1 1019 99 99 VAL CG1 C 21.399 0.300 2 1020 99 99 VAL CG2 C 21.372 0.300 2 1021 99 99 VAL N N 120.034 0.300 1 1022 100 100 THR H H 8.696 0.030 1 1023 100 100 THR HA H 5.101 0.030 1 1024 100 100 THR HB H 4.579 0.030 1 1025 100 100 THR HG2 H 1.029 0.030 1 1026 100 100 THR C C 176.312 0.300 1 1027 100 100 THR CA C 59.515 0.300 1 1028 100 100 THR CB C 72.232 0.300 1 1029 100 100 THR CG2 C 21.898 0.300 1 1030 100 100 THR N N 116.906 0.300 1 1031 101 101 ARG H H 9.240 0.030 1 1032 101 101 ARG HA H 4.027 0.030 1 1033 101 101 ARG HB2 H 1.871 0.030 2 1034 101 101 ARG HB3 H 1.791 0.030 2 1035 101 101 ARG HD2 H 3.191 0.030 1 1036 101 101 ARG HD3 H 3.191 0.030 1 1037 101 101 ARG HG2 H 1.795 0.030 2 1038 101 101 ARG HG3 H 1.651 0.030 2 1039 101 101 ARG C C 177.226 0.300 1 1040 101 101 ARG CA C 59.093 0.300 1 1041 101 101 ARG CB C 29.571 0.300 1 1042 101 101 ARG CD C 43.123 0.300 1 1043 101 101 ARG CG C 28.377 0.300 1 1044 101 101 ARG N N 120.068 0.300 1 1045 102 102 GLY H H 8.081 0.030 1 1046 102 102 GLY HA2 H 4.074 0.030 2 1047 102 102 GLY HA3 H 3.545 0.030 2 1048 102 102 GLY C C 173.736 0.300 1 1049 102 102 GLY CA C 45.064 0.300 1 1050 102 102 GLY N N 104.072 0.300 1 1051 103 103 GLY H H 7.401 0.030 1 1052 103 103 GLY HA2 H 4.420 0.030 2 1053 103 103 GLY HA3 H 3.755 0.030 2 1054 103 103 GLY C C 170.875 0.300 1 1055 103 103 GLY CA C 44.448 0.300 1 1056 103 103 GLY N N 107.724 0.300 1 1057 104 104 VAL H H 8.259 0.030 1 1058 104 104 VAL HA H 4.237 0.030 1 1059 104 104 VAL HB H 1.846 0.030 1 1060 104 104 VAL HG1 H 0.880 0.030 1 1061 104 104 VAL HG2 H 0.876 0.030 1 1062 104 104 VAL C C 176.677 0.300 1 1063 104 104 VAL CA C 61.950 0.300 1 1064 104 104 VAL CB C 33.005 0.300 1 1065 104 104 VAL CG1 C 21.787 0.300 2 1066 104 104 VAL CG2 C 21.128 0.300 2 1067 104 104 VAL N N 120.170 0.300 1 1068 105 105 GLY H H 8.839 0.030 1 1069 105 105 GLY HA2 H 4.200 0.030 2 1070 105 105 GLY HA3 H 3.857 0.030 2 1071 105 105 GLY C C 169.902 0.300 1 1072 105 105 GLY CA C 45.275 0.300 1 1073 105 105 GLY N N 115.086 0.300 1 1074 106 106 PRO HA H 4.400 0.030 1 1075 106 106 PRO HB2 H 2.247 0.030 2 1076 106 106 PRO HB3 H 1.752 0.030 2 1077 106 106 PRO HD2 H 3.443 0.030 2 1078 106 106 PRO HD3 H 3.153 0.030 2 1079 106 106 PRO HG2 H 1.838 0.030 2 1080 106 106 PRO HG3 H 1.625 0.030 2 1081 106 106 PRO C C 177.765 0.300 1 1082 106 106 PRO CA C 62.065 0.300 1 1083 106 106 PRO CB C 32.078 0.300 1 1084 106 106 PRO CD C 49.427 0.300 1 1085 106 106 PRO CG C 27.100 0.300 1 1086 107 107 PHE H H 8.634 0.030 1 1087 107 107 PHE HA H 4.533 0.030 1 1088 107 107 PHE HB2 H 3.007 0.030 2 1089 107 107 PHE HB3 H 2.860 0.030 2 1090 107 107 PHE HD1 H 7.125 0.030 1 1091 107 107 PHE HD2 H 7.125 0.030 1 1092 107 107 PHE HE1 H 7.044 0.030 1 1093 107 107 PHE HE2 H 7.044 0.030 1 1094 107 107 PHE HZ H 7.011 0.030 1 1095 107 107 PHE C C 178.053 0.300 1 1096 107 107 PHE CA C 58.246 0.300 1 1097 107 107 PHE CB C 40.578 0.300 1 1098 107 107 PHE CD1 C 131.801 0.300 1 1099 107 107 PHE CD2 C 131.801 0.300 1 1100 107 107 PHE CE1 C 131.939 0.300 1 1101 107 107 PHE CE2 C 131.939 0.300 1 1102 107 107 PHE CZ C 129.328 0.300 1 1103 107 107 PHE N N 118.768 0.300 1 1104 108 108 SER H H 9.163 0.030 1 1105 108 108 SER HA H 4.123 0.030 1 1106 108 108 SER HB2 H 4.315 0.030 2 1107 108 108 SER HB3 H 3.990 0.030 2 1108 108 108 SER C C 173.506 0.300 1 1109 108 108 SER CA C 58.228 0.300 1 1110 108 108 SER CB C 64.829 0.300 1 1111 108 108 SER N N 116.375 0.300 1 1112 109 109 ASP H H 8.712 0.030 1 1113 109 109 ASP HA H 4.731 0.030 1 1114 109 109 ASP HB2 H 2.794 0.030 2 1115 109 109 ASP HB3 H 2.590 0.030 2 1116 109 109 ASP C C 175.267 0.300 1 1117 109 109 ASP CA C 53.688 0.300 1 1118 109 109 ASP CB C 38.891 0.300 1 1119 109 109 ASP N N 122.798 0.300 1 1120 110 110 PRO HA H 4.400 0.030 1 1121 110 110 PRO HB2 H 1.775 0.030 2 1122 110 110 PRO HB3 H 1.674 0.030 2 1123 110 110 PRO HD2 H 3.807 0.030 2 1124 110 110 PRO HD3 H 3.643 0.030 2 1125 110 110 PRO HG2 H 2.058 0.030 2 1126 110 110 PRO HG3 H 1.965 0.030 2 1127 110 110 PRO C C 176.396 0.300 1 1128 110 110 PRO CA C 63.051 0.300 1 1129 110 110 PRO CB C 33.073 0.300 1 1130 110 110 PRO CD C 50.530 0.300 1 1131 110 110 PRO CG C 27.450 0.300 1 1132 111 111 VAL H H 8.089 0.030 1 1133 111 111 VAL HA H 4.277 0.030 1 1134 111 111 VAL HB H 1.762 0.030 1 1135 111 111 VAL HG1 H 0.881 0.030 1 1136 111 111 VAL HG2 H 0.913 0.030 1 1137 111 111 VAL C C 173.707 0.300 1 1138 111 111 VAL CA C 61.678 0.300 1 1139 111 111 VAL CB C 34.655 0.300 1 1140 111 111 VAL CG1 C 21.952 0.300 2 1141 111 111 VAL CG2 C 21.160 0.300 2 1142 111 111 VAL N N 122.060 0.300 1 1143 112 112 LYS H H 8.614 0.030 1 1144 112 112 LYS HA H 5.546 0.030 1 1145 112 112 LYS HB2 H 1.580 0.030 2 1146 112 112 LYS HB3 H 1.510 0.030 2 1147 112 112 LYS HD2 H 1.520 0.030 1 1148 112 112 LYS HD3 H 1.520 0.030 1 1149 112 112 LYS HE2 H 2.833 0.030 1 1150 112 112 LYS HE3 H 2.833 0.030 1 1151 112 112 LYS HG2 H 1.223 0.030 2 1152 112 112 LYS HG3 H 0.874 0.030 2 1153 112 112 LYS C C 175.822 0.300 1 1154 112 112 LYS CA C 54.374 0.300 1 1155 112 112 LYS CB C 36.143 0.300 1 1156 112 112 LYS CD C 29.283 0.300 1 1157 112 112 LYS CE C 41.887 0.300 1 1158 112 112 LYS CG C 24.505 0.300 1 1159 112 112 LYS N N 126.786 0.300 1 1160 113 113 ILE H H 8.687 0.030 1 1161 113 113 ILE HA H 4.692 0.030 1 1162 113 113 ILE HB H 1.759 0.030 1 1163 113 113 ILE HD1 H 0.735 0.030 1 1164 113 113 ILE HG12 H 1.398 0.030 2 1165 113 113 ILE HG13 H 0.867 0.030 2 1166 113 113 ILE HG2 H 0.769 0.030 1 1167 113 113 ILE C C 172.906 0.300 1 1168 113 113 ILE CA C 59.355 0.300 1 1169 113 113 ILE CB C 42.386 0.300 1 1170 113 113 ILE CD1 C 15.361 0.300 1 1171 113 113 ILE CG1 C 26.706 0.300 1 1172 113 113 ILE CG2 C 16.927 0.300 1 1173 113 113 ILE N N 119.311 0.300 1 1174 114 114 PHE H H 8.592 0.030 1 1175 114 114 PHE HA H 4.915 0.030 1 1176 114 114 PHE HB2 H 3.027 0.030 2 1177 114 114 PHE HB3 H 2.856 0.030 2 1178 114 114 PHE HD1 H 7.101 0.030 1 1179 114 114 PHE HD2 H 7.101 0.030 1 1180 114 114 PHE HE1 H 7.222 0.030 1 1181 114 114 PHE HE2 H 7.222 0.030 1 1182 114 114 PHE C C 173.463 0.300 1 1183 114 114 PHE CA C 57.105 0.300 1 1184 114 114 PHE CB C 40.658 0.300 1 1185 114 114 PHE CD1 C 131.799 0.300 1 1186 114 114 PHE CD2 C 131.799 0.300 1 1187 114 114 PHE CE1 C 131.145 0.300 1 1188 114 114 PHE CE2 C 131.145 0.300 1 1189 114 114 PHE N N 124.117 0.300 1 1190 115 115 ILE H H 8.655 0.030 1 1191 115 115 ILE HA H 4.519 0.030 1 1192 115 115 ILE HB H 2.100 0.030 1 1193 115 115 ILE HD1 H 0.719 0.030 1 1194 115 115 ILE HG12 H 1.508 0.030 2 1195 115 115 ILE HG13 H 1.460 0.030 2 1196 115 115 ILE HG2 H 1.015 0.030 1 1197 115 115 ILE C C 173.446 0.300 1 1198 115 115 ILE CA C 56.762 0.300 1 1199 115 115 ILE CB C 38.098 0.300 1 1200 115 115 ILE CD1 C 14.420 0.300 1 1201 115 115 ILE CG1 C 28.174 0.300 1 1202 115 115 ILE CG2 C 19.023 0.300 1 1203 115 115 ILE N N 128.718 0.300 1 1204 116 116 PRO HA H 4.506 0.030 1 1205 116 116 PRO HB2 H 2.504 0.030 2 1206 116 116 PRO HB3 H 2.049 0.030 2 1207 116 116 PRO HD2 H 3.914 0.030 2 1208 116 116 PRO HD3 H 3.610 0.030 2 1209 116 116 PRO HG2 H 2.057 0.030 1 1210 116 116 PRO HG3 H 2.057 0.030 1 1211 116 116 PRO C C 176.732 0.300 1 1212 116 116 PRO CA C 62.247 0.300 1 1213 116 116 PRO CB C 33.016 0.300 1 1214 116 116 PRO CD C 51.269 0.300 1 1215 116 116 PRO CG C 26.984 0.300 1 1216 117 117 ALA H H 8.485 0.030 1 1217 117 117 ALA HA H 4.156 0.030 1 1218 117 117 ALA HB H 1.359 0.030 1 1219 117 117 ALA C C 177.268 0.300 1 1220 117 117 ALA CA C 52.811 0.300 1 1221 117 117 ALA CB C 19.206 0.300 1 1222 117 117 ALA N N 121.432 0.300 1 1223 118 118 HIS H H 8.356 0.030 1 1224 118 118 HIS HA H 4.443 0.030 1 1225 118 118 HIS HB2 H 2.813 0.030 2 1226 118 118 HIS HB3 H 2.627 0.030 2 1227 118 118 HIS HD2 H 6.864 0.030 1 1228 118 118 HIS HE1 H 7.848 0.030 1 1229 118 118 HIS C C 175.338 0.300 1 1230 118 118 HIS CA C 56.222 0.300 1 1231 118 118 HIS CB C 30.697 0.300 1 1232 118 118 HIS CD2 C 119.586 0.300 1 1233 118 118 HIS CE1 C 137.998 0.300 1 1234 118 118 HIS N N 119.975 0.300 1 1235 119 119 SER H H 8.292 0.030 1 1236 119 119 SER HA H 4.422 0.030 1 1237 119 119 SER HB2 H 3.857 0.030 2 1238 119 119 SER C C 174.320 0.300 1 1239 119 119 SER CA C 58.158 0.300 1 1240 119 119 SER CB C 64.212 0.300 1 1241 119 119 SER N N 118.831 0.300 1 1242 120 120 GLY H H 8.234 0.030 1 1243 120 120 GLY HA2 H 4.069 0.030 1 1244 120 120 GLY HA3 H 4.069 0.030 1 1245 120 120 GLY CA C 45.358 0.300 1 1246 120 120 GLY N N 110.901 0.300 1 1247 121 121 PRO HA H 4.463 0.030 1 1248 121 121 PRO HB2 H 2.287 0.030 2 1249 121 121 PRO HD2 H 3.612 0.030 1 1250 121 121 PRO HD3 H 3.612 0.030 1 1251 121 121 PRO HG2 H 2.010 0.030 1 1252 121 121 PRO HG3 H 2.010 0.030 1 1253 121 121 PRO CA C 63.253 0.300 1 1254 121 121 PRO CB C 32.211 0.300 1 1255 121 121 PRO CD C 49.773 0.300 1 1256 121 121 PRO CG C 27.098 0.300 1 stop_ save_