data_10286 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the homeobox domain of the hypothetical protein, DKFZp686K21156 ; _BMRB_accession_number 10286 _BMRB_flat_file_name bmr10286.str _Entry_type new _Submission_date 2008-12-17 _Accession_date 2008-12-18 _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 Ohnishi S. . . 2 Kigawa T. . . 3 Saito K. . . 4 Koshiba S. . . 5 Inoue M. . . 6 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 417 "13C chemical shifts" 319 "15N chemical shifts" 75 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-12-17 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the homeobox domain of the hypothetical protein, DKFZp686K21156 ; _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 Ohnishi S. . . 2 Kigawa T. . . 3 Saito K. . . 4 Koshiba S. . . 5 Inoue M. . . 6 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Hypothetical protein DKFZp686K21156' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'homeobox 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 'homeobox domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 80 _Mol_residue_sequence ; GSSGSSGALQDRTQFSDRDL ATLKKYWDNGMTSLGSVCRE KIEAVATELNVDCEIVRTWI GNRRRKYRLMGIEVSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ALA 9 LEU 10 GLN 11 ASP 12 ARG 13 THR 14 GLN 15 PHE 16 SER 17 ASP 18 ARG 19 ASP 20 LEU 21 ALA 22 THR 23 LEU 24 LYS 25 LYS 26 TYR 27 TRP 28 ASP 29 ASN 30 GLY 31 MET 32 THR 33 SER 34 LEU 35 GLY 36 SER 37 VAL 38 CYS 39 ARG 40 GLU 41 LYS 42 ILE 43 GLU 44 ALA 45 VAL 46 ALA 47 THR 48 GLU 49 LEU 50 ASN 51 VAL 52 ASP 53 CYS 54 GLU 55 ILE 56 VAL 57 ARG 58 THR 59 TRP 60 ILE 61 GLY 62 ASN 63 ARG 64 ARG 65 ARG 66 LYS 67 TYR 68 ARG 69 LEU 70 MET 71 GLY 72 ILE 73 GLU 74 VAL 75 SER 76 GLY 77 PRO 78 SER 79 SER 80 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-13 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 2DA4 "Solution Structure Of The Homeobox Domain Of The Hypothetical Protein, Dkfzp686k21156" 100.00 80 100.00 100.00 6.85e-50 REF XP_012429181 "PREDICTED: highly divergent homeobox-like, partial [Taeniopygia guttata]" 61.25 189 97.96 97.96 5.59e-26 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 P050404-05 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]' 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 20030801 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 700 _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 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 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 'homeobox domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 7 7 GLY HA2 H 3.969 0.030 1 2 7 7 GLY HA3 H 3.969 0.030 1 3 7 7 GLY C C 173.939 0.300 1 4 7 7 GLY CA C 45.342 0.300 1 5 8 8 ALA H H 8.128 0.030 1 6 8 8 ALA HA H 4.329 0.030 1 7 8 8 ALA HB H 1.379 0.030 1 8 8 8 ALA C C 177.971 0.300 1 9 8 8 ALA CA C 52.565 0.300 1 10 8 8 ALA CB C 19.287 0.300 1 11 8 8 ALA N N 123.703 0.300 1 12 9 9 LEU H H 8.240 0.030 1 13 9 9 LEU HA H 4.304 0.030 1 14 9 9 LEU HB2 H 1.591 0.030 2 15 9 9 LEU HB3 H 1.669 0.030 2 16 9 9 LEU HD1 H 0.928 0.030 1 17 9 9 LEU HD2 H 0.870 0.030 1 18 9 9 LEU HG H 1.640 0.030 1 19 9 9 LEU C C 177.655 0.300 1 20 9 9 LEU CA C 55.570 0.300 1 21 9 9 LEU CB C 42.202 0.300 1 22 9 9 LEU CD1 C 24.727 0.300 2 23 9 9 LEU CD2 C 23.573 0.300 2 24 9 9 LEU CG C 26.946 0.300 1 25 9 9 LEU N N 121.161 0.300 1 26 10 10 GLN H H 8.305 0.030 1 27 10 10 GLN HA H 4.313 0.030 1 28 10 10 GLN HB2 H 2.082 0.030 2 29 10 10 GLN HB3 H 1.980 0.030 2 30 10 10 GLN HE21 H 7.531 0.030 2 31 10 10 GLN HE22 H 6.858 0.030 2 32 10 10 GLN HG2 H 2.359 0.030 1 33 10 10 GLN HG3 H 2.359 0.030 1 34 10 10 GLN C C 175.737 0.300 1 35 10 10 GLN CA C 56.099 0.300 1 36 10 10 GLN CB C 29.425 0.300 1 37 10 10 GLN CG C 33.794 0.300 1 38 10 10 GLN N N 120.538 0.300 1 39 10 10 GLN NE2 N 112.393 0.300 1 40 11 11 ASP H H 8.306 0.030 1 41 11 11 ASP HA H 4.589 0.030 1 42 11 11 ASP HB2 H 2.642 0.030 2 43 11 11 ASP HB3 H 2.727 0.030 2 44 11 11 ASP C C 176.319 0.300 1 45 11 11 ASP CA C 54.583 0.300 1 46 11 11 ASP CB C 41.204 0.300 1 47 11 11 ASP N N 121.418 0.300 1 48 12 12 ARG H H 8.257 0.030 1 49 12 12 ARG HA H 4.408 0.030 1 50 12 12 ARG HB2 H 1.794 0.030 2 51 12 12 ARG HB3 H 1.919 0.030 2 52 12 12 ARG HD2 H 3.204 0.030 1 53 12 12 ARG HD3 H 3.204 0.030 1 54 12 12 ARG HG2 H 1.637 0.030 1 55 12 12 ARG HG3 H 1.637 0.030 1 56 12 12 ARG C C 176.295 0.300 1 57 12 12 ARG CA C 56.088 0.300 1 58 12 12 ARG CB C 30.579 0.300 1 59 12 12 ARG CD C 43.356 0.300 1 60 12 12 ARG CG C 27.035 0.300 1 61 12 12 ARG N N 121.271 0.300 1 62 13 13 THR H H 8.189 0.030 1 63 13 13 THR HA H 4.193 0.030 1 64 13 13 THR HB H 4.096 0.030 1 65 13 13 THR HG2 H 1.083 0.030 1 66 13 13 THR C C 174.121 0.300 1 67 13 13 THR CA C 62.448 0.300 1 68 13 13 THR CB C 69.697 0.300 1 69 13 13 THR CG2 C 21.595 0.300 1 70 13 13 THR N N 114.810 0.300 1 71 14 14 GLN H H 8.130 0.030 1 72 14 14 GLN HA H 4.314 0.030 1 73 14 14 GLN HB2 H 1.853 0.030 2 74 14 14 GLN HB3 H 1.947 0.030 2 75 14 14 GLN HE21 H 7.455 0.030 2 76 14 14 GLN HE22 H 6.811 0.030 2 77 14 14 GLN HG2 H 2.108 0.030 1 78 14 14 GLN HG3 H 2.108 0.030 1 79 14 14 GLN C C 175.275 0.300 1 80 14 14 GLN CA C 55.253 0.300 1 81 14 14 GLN CB C 29.838 0.300 1 82 14 14 GLN CG C 33.464 0.300 1 83 14 14 GLN N N 122.533 0.300 1 84 14 14 GLN NE2 N 112.630 0.300 1 85 15 15 PHE H H 8.151 0.030 1 86 15 15 PHE HA H 5.009 0.030 1 87 15 15 PHE HB2 H 2.761 0.030 2 88 15 15 PHE HB3 H 3.189 0.030 2 89 15 15 PHE HD1 H 7.311 0.030 1 90 15 15 PHE HD2 H 7.311 0.030 1 91 15 15 PHE HE1 H 7.146 0.030 1 92 15 15 PHE HE2 H 7.146 0.030 1 93 15 15 PHE HZ H 6.944 0.030 1 94 15 15 PHE C C 176.465 0.300 1 95 15 15 PHE CA C 57.157 0.300 1 96 15 15 PHE CB C 40.996 0.300 1 97 15 15 PHE CD1 C 131.389 0.300 1 98 15 15 PHE CD2 C 131.389 0.300 1 99 15 15 PHE CE1 C 131.135 0.300 1 100 15 15 PHE CE2 C 131.135 0.300 1 101 15 15 PHE CZ C 129.020 0.300 1 102 15 15 PHE N N 120.835 0.300 1 103 16 16 SER H H 9.565 0.030 1 104 16 16 SER HA H 4.610 0.030 1 105 16 16 SER HB2 H 4.130 0.030 2 106 16 16 SER HB3 H 4.402 0.030 2 107 16 16 SER C C 174.547 0.300 1 108 16 16 SER CA C 56.946 0.300 1 109 16 16 SER CB C 65.545 0.300 1 110 16 16 SER N N 119.442 0.300 1 111 17 17 ASP H H 8.947 0.030 1 112 17 17 ASP HA H 4.386 0.030 1 113 17 17 ASP HB2 H 2.705 0.030 1 114 17 17 ASP HB3 H 2.705 0.030 1 115 17 17 ASP C C 179.331 0.300 1 116 17 17 ASP CA C 58.074 0.300 1 117 17 17 ASP CB C 39.875 0.300 1 118 17 17 ASP N N 120.645 0.300 1 119 18 18 ARG H H 8.302 0.030 1 120 18 18 ARG HA H 4.098 0.030 1 121 18 18 ARG HB2 H 1.780 0.030 2 122 18 18 ARG HB3 H 1.856 0.030 2 123 18 18 ARG HD2 H 3.209 0.030 1 124 18 18 ARG HD3 H 3.209 0.030 1 125 18 18 ARG HG2 H 1.643 0.030 1 126 18 18 ARG HG3 H 1.643 0.030 1 127 18 18 ARG C C 178.699 0.300 1 128 18 18 ARG CA C 59.203 0.300 1 129 18 18 ARG CB C 29.920 0.300 1 130 18 18 ARG CD C 43.384 0.300 1 131 18 18 ARG CG C 26.780 0.300 1 132 18 18 ARG N N 121.398 0.300 1 133 19 19 ASP H H 7.853 0.030 1 134 19 19 ASP HA H 4.151 0.030 1 135 19 19 ASP HB2 H 2.403 0.030 2 136 19 19 ASP HB3 H 3.114 0.030 2 137 19 19 ASP C C 178.384 0.300 1 138 19 19 ASP CA C 57.348 0.300 1 139 19 19 ASP CB C 40.392 0.300 1 140 19 19 ASP N N 122.636 0.300 1 141 20 20 LEU H H 8.335 0.030 1 142 20 20 LEU HA H 3.635 0.030 1 143 20 20 LEU HB2 H 1.512 0.030 2 144 20 20 LEU HB3 H 1.843 0.030 2 145 20 20 LEU HD1 H 1.001 0.030 1 146 20 20 LEU HD2 H 0.896 0.030 1 147 20 20 LEU HG H 1.695 0.030 1 148 20 20 LEU C C 179.234 0.300 1 149 20 20 LEU CA C 57.587 0.300 1 150 20 20 LEU CB C 41.658 0.300 1 151 20 20 LEU CD1 C 25.243 0.300 2 152 20 20 LEU CD2 C 23.600 0.300 2 153 20 20 LEU CG C 26.946 0.300 1 154 20 20 LEU N N 118.845 0.300 1 155 21 21 ALA H H 7.905 0.030 1 156 21 21 ALA HA H 4.123 0.030 1 157 21 21 ALA HB H 1.537 0.030 1 158 21 21 ALA C C 181.031 0.300 1 159 21 21 ALA CA C 55.103 0.300 1 160 21 21 ALA CB C 17.709 0.300 1 161 21 21 ALA N N 122.007 0.300 1 162 22 22 THR H H 7.886 0.030 1 163 22 22 THR HA H 3.954 0.030 1 164 22 22 THR HB H 4.337 0.030 1 165 22 22 THR HG2 H 1.200 0.030 1 166 22 22 THR C C 175.834 0.300 1 167 22 22 THR CA C 67.081 0.300 1 168 22 22 THR CB C 68.253 0.300 1 169 22 22 THR CG2 C 22.538 0.300 1 170 22 22 THR N N 119.042 0.300 1 171 23 23 LEU H H 8.036 0.030 1 172 23 23 LEU HA H 3.404 0.030 1 173 23 23 LEU HB2 H -0.814 0.030 2 174 23 23 LEU HB3 H 0.740 0.030 2 175 23 23 LEU HD1 H -1.150 0.030 1 176 23 23 LEU HD2 H 0.036 0.030 1 177 23 23 LEU HG H 0.749 0.030 1 178 23 23 LEU C C 178.335 0.300 1 179 23 23 LEU CA C 59.230 0.300 1 180 23 23 LEU CB C 39.399 0.300 1 181 23 23 LEU CD1 C 23.129 0.300 2 182 23 23 LEU CD2 C 23.170 0.300 2 183 23 23 LEU CG C 26.140 0.300 1 184 23 23 LEU N N 123.450 0.300 1 185 24 24 LYS H H 8.166 0.030 1 186 24 24 LYS HA H 4.074 0.030 1 187 24 24 LYS HB2 H 2.044 0.030 2 188 24 24 LYS HB3 H 1.979 0.030 2 189 24 24 LYS HD2 H 1.824 0.030 2 190 24 24 LYS HD3 H 1.663 0.030 2 191 24 24 LYS HE2 H 3.007 0.030 2 192 24 24 LYS HE3 H 3.064 0.030 2 193 24 24 LYS HG2 H 1.650 0.030 2 194 24 24 LYS HG3 H 1.499 0.030 2 195 24 24 LYS C C 177.631 0.300 1 196 24 24 LYS CA C 60.367 0.300 1 197 24 24 LYS CB C 32.554 0.300 1 198 24 24 LYS CD C 29.425 0.300 1 199 24 24 LYS CE C 42.449 0.300 1 200 24 24 LYS CG C 26.131 0.300 1 201 24 24 LYS N N 117.974 0.300 1 202 25 25 LYS H H 7.837 0.030 1 203 25 25 LYS HA H 4.205 0.030 1 204 25 25 LYS HB2 H 2.004 0.030 2 205 25 25 LYS HB3 H 2.187 0.030 2 206 25 25 LYS HD2 H 1.692 0.030 2 207 25 25 LYS HD3 H 1.662 0.030 2 208 25 25 LYS HE2 H 2.855 0.030 2 209 25 25 LYS HE3 H 2.932 0.030 2 210 25 25 LYS HG2 H 1.546 0.030 2 211 25 25 LYS HG3 H 1.240 0.030 2 212 25 25 LYS C C 179.695 0.300 1 213 25 25 LYS CA C 59.704 0.300 1 214 25 25 LYS CB C 31.816 0.300 1 215 25 25 LYS CD C 29.590 0.300 1 216 25 25 LYS CE C 41.955 0.300 1 217 25 25 LYS CG C 24.577 0.300 1 218 25 25 LYS N N 120.567 0.300 1 219 26 26 TYR H H 8.158 0.030 1 220 26 26 TYR HA H 4.089 0.030 1 221 26 26 TYR HB2 H 3.368 0.030 2 222 26 26 TYR HB3 H 3.127 0.030 2 223 26 26 TYR HD1 H 7.349 0.030 1 224 26 26 TYR HD2 H 7.349 0.030 1 225 26 26 TYR HE1 H 6.831 0.030 1 226 26 26 TYR HE2 H 6.831 0.030 1 227 26 26 TYR C C 180.035 0.300 1 228 26 26 TYR CA C 63.104 0.300 1 229 26 26 TYR CB C 36.926 0.300 1 230 26 26 TYR CD1 C 133.451 0.300 1 231 26 26 TYR CD2 C 133.451 0.300 1 232 26 26 TYR CE1 C 118.340 0.300 1 233 26 26 TYR CE2 C 118.340 0.300 1 234 26 26 TYR N N 118.591 0.300 1 235 27 27 TRP H H 9.294 0.030 1 236 27 27 TRP HA H 4.349 0.030 1 237 27 27 TRP HB2 H 3.678 0.030 2 238 27 27 TRP HB3 H 3.928 0.030 2 239 27 27 TRP HD1 H 7.694 0.030 1 240 27 27 TRP HE1 H 10.173 0.030 1 241 27 27 TRP HE3 H 7.943 0.030 1 242 27 27 TRP HH2 H 6.700 0.030 1 243 27 27 TRP HZ2 H 6.979 0.030 1 244 27 27 TRP HZ3 H 7.030 0.030 1 245 27 27 TRP C C 179.209 0.300 1 246 27 27 TRP CA C 61.357 0.300 1 247 27 27 TRP CB C 28.481 0.300 1 248 27 27 TRP CD1 C 128.621 0.300 1 249 27 27 TRP CE3 C 122.058 0.300 1 250 27 27 TRP CH2 C 123.842 0.300 1 251 27 27 TRP CZ2 C 114.635 0.300 1 252 27 27 TRP CZ3 C 121.931 0.300 1 253 27 27 TRP N N 125.036 0.300 1 254 27 27 TRP NE1 N 130.989 0.300 1 255 28 28 ASP H H 9.354 0.030 1 256 28 28 ASP HA H 4.479 0.030 1 257 28 28 ASP HB2 H 2.939 0.030 2 258 28 28 ASP HB3 H 2.755 0.030 2 259 28 28 ASP C C 176.999 0.300 1 260 28 28 ASP CA C 57.024 0.300 1 261 28 28 ASP CB C 39.894 0.300 1 262 28 28 ASP N N 121.650 0.300 1 263 29 29 ASN H H 7.569 0.030 1 264 29 29 ASN HA H 4.905 0.030 1 265 29 29 ASN HB2 H 2.639 0.030 2 266 29 29 ASN HB3 H 3.001 0.030 2 267 29 29 ASN HD21 H 7.452 0.030 2 268 29 29 ASN HD22 H 6.887 0.030 2 269 29 29 ASN C C 174.935 0.300 1 270 29 29 ASN CA C 52.819 0.300 1 271 29 29 ASN CB C 39.320 0.300 1 272 29 29 ASN N N 116.912 0.300 1 273 29 29 ASN ND2 N 112.365 0.300 1 274 30 30 GLY H H 7.695 0.030 1 275 30 30 GLY HA2 H 3.603 0.030 2 276 30 30 GLY HA3 H 4.489 0.030 2 277 30 30 GLY C C 174.571 0.300 1 278 30 30 GLY CA C 45.332 0.300 1 279 30 30 GLY N N 105.356 0.300 1 280 31 31 MET H H 8.574 0.030 1 281 31 31 MET HA H 4.769 0.030 1 282 31 31 MET HB2 H 1.693 0.030 2 283 31 31 MET HB3 H 2.475 0.030 2 284 31 31 MET HE H 2.267 0.030 1 285 31 31 MET HG2 H 2.249 0.030 2 286 31 31 MET HG3 H 2.547 0.030 2 287 31 31 MET C C 173.381 0.300 1 288 31 31 MET CA C 54.301 0.300 1 289 31 31 MET CB C 31.899 0.300 1 290 31 31 MET CE C 16.328 0.300 1 291 31 31 MET CG C 32.362 0.300 1 292 31 31 MET N N 125.209 0.300 1 293 32 32 THR H H 7.284 0.030 1 294 32 32 THR HA H 4.003 0.030 1 295 32 32 THR HB H 3.571 0.030 1 296 32 32 THR HG2 H -0.286 0.030 1 297 32 32 THR C C 173.721 0.300 1 298 32 32 THR CA C 59.873 0.300 1 299 32 32 THR CB C 69.651 0.300 1 300 32 32 THR CG2 C 20.523 0.300 1 301 32 32 THR N N 108.409 0.300 1 302 33 33 SER H H 7.809 0.030 1 303 33 33 SER HA H 4.614 0.030 1 304 33 33 SER HB2 H 3.699 0.030 2 305 33 33 SER HB3 H 3.943 0.030 2 306 33 33 SER C C 171.608 0.300 1 307 33 33 SER CA C 56.764 0.300 1 308 33 33 SER CB C 65.653 0.300 1 309 33 33 SER N N 115.742 0.300 1 310 34 34 LEU H H 8.284 0.030 1 311 34 34 LEU HA H 4.488 0.030 1 312 34 34 LEU HB2 H 1.681 0.030 2 313 34 34 LEU HB3 H 1.745 0.030 2 314 34 34 LEU HD1 H 0.963 0.030 1 315 34 34 LEU HD2 H 0.977 0.030 1 316 34 34 LEU HG H 1.617 0.030 1 317 34 34 LEU C C 178.335 0.300 1 318 34 34 LEU CA C 54.583 0.300 1 319 34 34 LEU CB C 41.872 0.300 1 320 34 34 LEU CD1 C 24.973 0.300 2 321 34 34 LEU CD2 C 24.657 0.300 2 322 34 34 LEU CG C 28.023 0.300 1 323 34 34 LEU N N 116.566 0.300 1 324 35 35 GLY H H 8.159 0.030 1 325 35 35 GLY HA2 H 4.239 0.030 2 326 35 35 GLY HA3 H 3.949 0.030 2 327 35 35 GLY C C 175.299 0.300 1 328 35 35 GLY CA C 44.707 0.300 1 329 35 35 GLY N N 106.688 0.300 1 330 36 36 SER HA H 4.123 0.030 1 331 36 36 SER HB2 H 3.993 0.030 2 332 36 36 SER CA C 61.785 0.300 1 333 36 36 SER CB C 62.793 0.300 1 334 37 37 VAL HA H 4.155 0.030 1 335 37 37 VAL HB H 2.264 0.030 1 336 37 37 VAL HG1 H 1.047 0.030 1 337 37 37 VAL HG2 H 1.039 0.030 1 338 37 37 VAL C C 177.048 0.300 1 339 37 37 VAL CA C 64.423 0.300 1 340 37 37 VAL CB C 31.486 0.300 1 341 37 37 VAL CG1 C 20.889 0.300 2 342 37 37 VAL CG2 C 20.788 0.300 2 343 38 38 CYS H H 7.746 0.030 1 344 38 38 CYS HA H 4.787 0.030 1 345 38 38 CYS HB2 H 3.288 0.030 2 346 38 38 CYS HB3 H 2.852 0.030 2 347 38 38 CYS C C 174.522 0.300 1 348 38 38 CYS CA C 59.344 0.300 1 349 38 38 CYS CB C 29.261 0.300 1 350 38 38 CYS N N 116.501 0.300 1 351 39 39 ARG H H 7.633 0.030 1 352 39 39 ARG HA H 3.847 0.030 1 353 39 39 ARG HB2 H 2.036 0.030 2 354 39 39 ARG HB3 H 1.907 0.030 2 355 39 39 ARG HD2 H 3.209 0.030 2 356 39 39 ARG HG2 H 1.575 0.030 2 357 39 39 ARG HG3 H 1.628 0.030 2 358 39 39 ARG C C 177.315 0.300 1 359 39 39 ARG CA C 60.952 0.300 1 360 39 39 ARG CB C 30.332 0.300 1 361 39 39 ARG CD C 43.356 0.300 1 362 39 39 ARG CG C 26.771 0.300 1 363 39 39 ARG N N 122.520 0.300 1 364 40 40 GLU H H 8.827 0.030 1 365 40 40 GLU HA H 4.070 0.030 1 366 40 40 GLU HB2 H 2.104 0.030 1 367 40 40 GLU HB3 H 2.104 0.030 1 368 40 40 GLU HG2 H 2.356 0.030 1 369 40 40 GLU HG3 H 2.356 0.030 1 370 40 40 GLU C C 179.719 0.300 1 371 40 40 GLU CA C 60.065 0.300 1 372 40 40 GLU CB C 29.094 0.300 1 373 40 40 GLU CG C 37.079 0.300 1 374 40 40 GLU N N 116.909 0.300 1 375 41 41 LYS H H 7.660 0.030 1 376 41 41 LYS HA H 4.293 0.030 1 377 41 41 LYS HB2 H 1.928 0.030 2 378 41 41 LYS HB3 H 2.045 0.030 2 379 41 41 LYS HD2 H 1.636 0.030 2 380 41 41 LYS HD3 H 1.747 0.030 2 381 41 41 LYS HE2 H 3.071 0.030 2 382 41 41 LYS HG2 H 1.655 0.030 2 383 41 41 LYS HG3 H 1.759 0.030 2 384 41 41 LYS C C 176.854 0.300 1 385 41 41 LYS CA C 59.908 0.300 1 386 41 41 LYS CB C 33.704 0.300 1 387 41 41 LYS CD C 29.755 0.300 1 388 41 41 LYS CE C 42.367 0.300 1 389 41 41 LYS CG C 26.376 0.300 1 390 41 41 LYS N N 120.497 0.300 1 391 42 42 ILE H H 8.050 0.030 1 392 42 42 ILE HA H 3.756 0.030 1 393 42 42 ILE HB H 1.911 0.030 1 394 42 42 ILE HD1 H 0.887 0.030 1 395 42 42 ILE HG12 H 1.772 0.030 2 396 42 42 ILE HG13 H 0.985 0.030 2 397 42 42 ILE HG2 H 0.874 0.030 1 398 42 42 ILE C C 177.607 0.300 1 399 42 42 ILE CA C 65.460 0.300 1 400 42 42 ILE CB C 38.516 0.300 1 401 42 42 ILE CD1 C 13.846 0.300 1 402 42 42 ILE CG1 C 29.916 0.300 1 403 42 42 ILE CG2 C 16.798 0.300 1 404 42 42 ILE N N 119.276 0.300 1 405 43 43 GLU H H 8.142 0.030 1 406 43 43 GLU HA H 4.011 0.030 1 407 43 43 GLU HB2 H 2.024 0.030 1 408 43 43 GLU HB3 H 2.024 0.030 1 409 43 43 GLU HG2 H 2.324 0.030 2 410 43 43 GLU HG3 H 2.512 0.030 2 411 43 43 GLU C C 179.477 0.300 1 412 43 43 GLU CA C 59.340 0.300 1 413 43 43 GLU CB C 29.425 0.300 1 414 43 43 GLU CG C 37.122 0.300 1 415 43 43 GLU N N 116.432 0.300 1 416 44 44 ALA H H 8.053 0.030 1 417 44 44 ALA HA H 4.217 0.030 1 418 44 44 ALA HB H 1.735 0.030 1 419 44 44 ALA C C 180.958 0.300 1 420 44 44 ALA CA C 55.453 0.300 1 421 44 44 ALA CB C 18.553 0.300 1 422 44 44 ALA N N 122.819 0.300 1 423 45 45 VAL H H 8.400 0.030 1 424 45 45 VAL HA H 3.530 0.030 1 425 45 45 VAL HB H 0.440 0.030 1 426 45 45 VAL HG1 H 0.752 0.030 1 427 45 45 VAL HG2 H 0.299 0.030 1 428 45 45 VAL C C 176.465 0.300 1 429 45 45 VAL CA C 65.075 0.300 1 430 45 45 VAL CB C 29.673 0.300 1 431 45 45 VAL CG1 C 22.618 0.300 2 432 45 45 VAL CG2 C 25.855 0.300 2 433 45 45 VAL N N 120.862 0.300 1 434 46 46 ALA H H 8.225 0.030 1 435 46 46 ALA HA H 3.787 0.030 1 436 46 46 ALA HB H 1.602 0.030 1 437 46 46 ALA C C 180.205 0.300 1 438 46 46 ALA CA C 55.753 0.300 1 439 46 46 ALA CB C 18.516 0.300 1 440 46 46 ALA N N 125.827 0.300 1 441 47 47 THR H H 7.850 0.030 1 442 47 47 THR HA H 4.084 0.030 1 443 47 47 THR HB H 4.361 0.030 1 444 47 47 THR HG2 H 1.272 0.030 1 445 47 47 THR C C 177.339 0.300 1 446 47 47 THR CA C 66.492 0.300 1 447 47 47 THR CB C 68.772 0.300 1 448 47 47 THR CG2 C 21.513 0.300 1 449 47 47 THR N N 113.467 0.300 1 450 48 48 GLU H H 8.050 0.030 1 451 48 48 GLU HA H 4.001 0.030 1 452 48 48 GLU HB2 H 2.188 0.030 2 453 48 48 GLU HB3 H 2.081 0.030 2 454 48 48 GLU HG2 H 2.421 0.030 2 455 48 48 GLU HG3 H 2.208 0.030 2 456 48 48 GLU C C 178.457 0.300 1 457 48 48 GLU CA C 60.174 0.300 1 458 48 48 GLU CB C 29.719 0.300 1 459 48 48 GLU CG C 36.432 0.300 1 460 48 48 GLU N N 123.295 0.300 1 461 49 49 LEU H H 8.198 0.030 1 462 49 49 LEU HA H 4.215 0.030 1 463 49 49 LEU HB2 H 1.574 0.030 2 464 49 49 LEU HB3 H 1.663 0.030 2 465 49 49 LEU HD1 H 0.515 0.030 1 466 49 49 LEU HD2 H 0.752 0.030 1 467 49 49 LEU HG H 1.754 0.030 1 468 49 49 LEU C C 176.344 0.300 1 469 49 49 LEU CA C 55.050 0.300 1 470 49 49 LEU CB C 42.861 0.300 1 471 49 49 LEU CD1 C 25.408 0.300 2 472 49 49 LEU CD2 C 22.776 0.300 2 473 49 49 LEU CG C 27.035 0.300 1 474 49 49 LEU N N 115.963 0.300 1 475 50 50 ASN H H 8.008 0.030 1 476 50 50 ASN HA H 4.411 0.030 1 477 50 50 ASN HB2 H 2.684 0.030 2 478 50 50 ASN HB3 H 3.296 0.030 2 479 50 50 ASN HD21 H 7.541 0.030 2 480 50 50 ASN HD22 H 6.782 0.030 2 481 50 50 ASN C C 174.522 0.300 1 482 50 50 ASN CA C 54.159 0.300 1 483 50 50 ASN CB C 37.446 0.300 1 484 50 50 ASN N N 118.398 0.300 1 485 50 50 ASN ND2 N 111.795 0.300 1 486 51 51 VAL H H 8.240 0.030 1 487 51 51 VAL HA H 4.792 0.030 1 488 51 51 VAL HB H 2.193 0.030 1 489 51 51 VAL HG1 H 0.929 0.030 1 490 51 51 VAL HG2 H 0.795 0.030 1 491 51 51 VAL C C 174.619 0.300 1 492 51 51 VAL CA C 58.674 0.300 1 493 51 51 VAL CB C 36.102 0.300 1 494 51 51 VAL CG1 C 21.600 0.300 2 495 51 51 VAL CG2 C 19.204 0.300 2 496 51 51 VAL N N 110.142 0.300 1 497 52 52 ASP H H 8.164 0.030 1 498 52 52 ASP HA H 4.597 0.030 1 499 52 52 ASP HB2 H 2.713 0.030 1 500 52 52 ASP HB3 H 2.713 0.030 1 501 52 52 ASP C C 178.262 0.300 1 502 52 52 ASP CA C 54.423 0.300 1 503 52 52 ASP CB C 43.200 0.300 1 504 52 52 ASP N N 120.019 0.300 1 505 53 53 CYS H H 8.967 0.030 1 506 53 53 CYS HA H 3.862 0.030 1 507 53 53 CYS HB2 H 2.781 0.030 2 508 53 53 CYS HB3 H 2.996 0.030 2 509 53 53 CYS C C 176.975 0.300 1 510 53 53 CYS CA C 63.438 0.300 1 511 53 53 CYS CB C 27.358 0.300 1 512 53 53 CYS N N 122.121 0.300 1 513 54 54 GLU H H 9.357 0.030 1 514 54 54 GLU HA H 4.083 0.030 1 515 54 54 GLU HB2 H 2.032 0.030 2 516 54 54 GLU HB3 H 2.100 0.030 2 517 54 54 GLU HG2 H 2.367 0.030 1 518 54 54 GLU HG3 H 2.367 0.030 1 519 54 54 GLU C C 179.064 0.300 1 520 54 54 GLU CA C 59.626 0.300 1 521 54 54 GLU CB C 29.178 0.300 1 522 54 54 GLU CG C 35.772 0.300 1 523 54 54 GLU N N 120.121 0.300 1 524 55 55 ILE H H 7.650 0.030 1 525 55 55 ILE HA H 4.005 0.030 1 526 55 55 ILE HB H 2.258 0.030 1 527 55 55 ILE HD1 H 0.870 0.030 1 528 55 55 ILE HG12 H 1.480 0.030 2 529 55 55 ILE HG13 H 1.638 0.030 2 530 55 55 ILE HG2 H 1.032 0.030 1 531 55 55 ILE C C 179.331 0.300 1 532 55 55 ILE CA C 63.558 0.300 1 533 55 55 ILE CB C 36.988 0.300 1 534 55 55 ILE CD1 C 11.950 0.300 1 535 55 55 ILE CG1 C 28.818 0.300 1 536 55 55 ILE CG2 C 18.171 0.300 1 537 55 55 ILE N N 119.061 0.300 1 538 56 56 VAL H H 6.973 0.030 1 539 56 56 VAL HA H 3.651 0.030 1 540 56 56 VAL HB H 2.328 0.030 1 541 56 56 VAL HG1 H 0.993 0.030 1 542 56 56 VAL HG2 H 0.858 0.030 1 543 56 56 VAL C C 177.874 0.300 1 544 56 56 VAL CA C 66.847 0.300 1 545 56 56 VAL CB C 31.486 0.300 1 546 56 56 VAL CG1 C 21.939 0.300 2 547 56 56 VAL CG2 C 22.290 0.300 2 548 56 56 VAL N N 121.206 0.300 1 549 57 57 ARG H H 8.508 0.030 1 550 57 57 ARG HA H 3.928 0.030 1 551 57 57 ARG HB2 H 2.040 0.030 2 552 57 57 ARG HB3 H 1.947 0.030 2 553 57 57 ARG HD2 H 3.334 0.030 2 554 57 57 ARG HD3 H 3.273 0.030 2 555 57 57 ARG HG2 H 1.523 0.030 1 556 57 57 ARG C C 179.282 0.300 1 557 57 57 ARG CA C 61.095 0.300 1 558 57 57 ARG CB C 30.261 0.300 1 559 57 57 ARG CD C 43.161 0.300 1 560 57 57 ARG CG C 30.088 0.300 1 561 57 57 ARG N N 118.801 0.300 1 562 58 58 THR H H 8.528 0.030 1 563 58 58 THR HA H 4.013 0.030 1 564 58 58 THR HB H 4.417 0.030 1 565 58 58 THR HG2 H 1.323 0.030 1 566 58 58 THR C C 175.518 0.300 1 567 58 58 THR CA C 66.879 0.300 1 568 58 58 THR CB C 68.826 0.300 1 569 58 58 THR CG2 C 22.007 0.300 1 570 58 58 THR N N 117.805 0.300 1 571 59 59 TRP H H 7.904 0.030 1 572 59 59 TRP HA H 4.228 0.030 1 573 59 59 TRP HB2 H 3.419 0.030 2 574 59 59 TRP HB3 H 3.786 0.030 2 575 59 59 TRP HD1 H 7.361 0.030 1 576 59 59 TRP HE1 H 9.649 0.030 1 577 59 59 TRP HE3 H 7.459 0.030 1 578 59 59 TRP HH2 H 6.537 0.030 1 579 59 59 TRP HZ2 H 7.062 0.030 1 580 59 59 TRP HZ3 H 7.011 0.030 1 581 59 59 TRP C C 179.015 0.300 1 582 59 59 TRP CA C 63.377 0.300 1 583 59 59 TRP CB C 28.280 0.300 1 584 59 59 TRP CD1 C 127.823 0.300 1 585 59 59 TRP CE3 C 120.147 0.300 1 586 59 59 TRP CH2 C 122.983 0.300 1 587 59 59 TRP CZ2 C 114.157 0.300 1 588 59 59 TRP CZ3 C 120.975 0.300 1 589 59 59 TRP N N 124.326 0.300 1 590 59 59 TRP NE1 N 129.490 0.300 1 591 60 60 ILE H H 8.799 0.030 1 592 60 60 ILE HA H 3.461 0.030 1 593 60 60 ILE HB H 2.041 0.030 1 594 60 60 ILE HD1 H 1.044 0.030 1 595 60 60 ILE HG12 H 1.381 0.030 2 596 60 60 ILE HG13 H 2.517 0.030 2 597 60 60 ILE HG2 H 0.818 0.030 1 598 60 60 ILE C C 178.481 0.300 1 599 60 60 ILE CA C 65.878 0.300 1 600 60 60 ILE CB C 39.399 0.300 1 601 60 60 ILE CD1 C 15.577 0.300 1 602 60 60 ILE CG1 C 29.813 0.300 1 603 60 60 ILE CG2 C 16.979 0.300 1 604 60 60 ILE N N 119.831 0.300 1 605 61 61 GLY H H 8.659 0.030 1 606 61 61 GLY HA2 H 3.705 0.030 2 607 61 61 GLY HA3 H 4.118 0.030 2 608 61 61 GLY C C 176.878 0.300 1 609 61 61 GLY CA C 47.388 0.300 1 610 61 61 GLY N N 106.205 0.300 1 611 62 62 ASN H H 8.408 0.030 1 612 62 62 ASN HA H 4.452 0.030 1 613 62 62 ASN HB2 H 2.823 0.030 2 614 62 62 ASN HB3 H 2.655 0.030 2 615 62 62 ASN HD21 H 7.657 0.030 2 616 62 62 ASN HD22 H 7.021 0.030 2 617 62 62 ASN C C 177.461 0.300 1 618 62 62 ASN CA C 55.480 0.300 1 619 62 62 ASN CB C 37.951 0.300 1 620 62 62 ASN N N 120.644 0.300 1 621 62 62 ASN ND2 N 112.894 0.300 1 622 63 63 ARG H H 7.816 0.030 1 623 63 63 ARG HA H 3.544 0.030 1 624 63 63 ARG HB2 H 0.481 0.030 2 625 63 63 ARG HB3 H 0.889 0.030 2 626 63 63 ARG HD2 H 1.513 0.030 2 627 63 63 ARG HD3 H 0.733 0.030 2 628 63 63 ARG HG2 H 0.126 0.030 2 629 63 63 ARG HG3 H 0.475 0.030 2 630 63 63 ARG C C 178.189 0.300 1 631 63 63 ARG CA C 59.219 0.300 1 632 63 63 ARG CB C 29.077 0.300 1 633 63 63 ARG CD C 43.323 0.300 1 634 63 63 ARG CG C 27.325 0.300 1 635 63 63 ARG N N 124.207 0.300 1 636 64 64 ARG H H 8.578 0.030 1 637 64 64 ARG HA H 4.057 0.030 1 638 64 64 ARG HB2 H 2.111 0.030 2 639 64 64 ARG HB3 H 2.046 0.030 2 640 64 64 ARG HD2 H 3.179 0.030 2 641 64 64 ARG HD3 H 3.720 0.030 2 642 64 64 ARG HG2 H 1.838 0.030 2 643 64 64 ARG HG3 H 2.116 0.030 2 644 64 64 ARG C C 179.039 0.300 1 645 64 64 ARG CA C 60.190 0.300 1 646 64 64 ARG CB C 30.579 0.300 1 647 64 64 ARG CD C 43.356 0.300 1 648 64 64 ARG CG C 28.548 0.300 1 649 64 64 ARG N N 117.839 0.300 1 650 65 65 ARG H H 7.712 0.030 1 651 65 65 ARG HA H 4.091 0.030 1 652 65 65 ARG HB2 H 1.948 0.030 2 653 65 65 ARG HB3 H 1.946 0.030 2 654 65 65 ARG HD2 H 3.270 0.030 1 655 65 65 ARG HD3 H 3.270 0.030 1 656 65 65 ARG HG2 H 1.813 0.030 2 657 65 65 ARG HG3 H 1.614 0.030 2 658 65 65 ARG C C 178.214 0.300 1 659 65 65 ARG CA C 59.556 0.300 1 660 65 65 ARG CB C 30.167 0.300 1 661 65 65 ARG CD C 43.433 0.300 1 662 65 65 ARG CG C 28.024 0.300 1 663 65 65 ARG N N 118.827 0.300 1 664 66 66 LYS H H 7.848 0.030 1 665 66 66 LYS HA H 3.997 0.030 1 666 66 66 LYS HB2 H 1.813 0.030 1 667 66 66 LYS HB3 H 1.813 0.030 1 668 66 66 LYS HD2 H 1.559 0.030 2 669 66 66 LYS HD3 H 1.515 0.030 2 670 66 66 LYS HE2 H 2.858 0.030 2 671 66 66 LYS HG2 H 1.209 0.030 2 672 66 66 LYS HG3 H 1.401 0.030 2 673 66 66 LYS C C 178.481 0.300 1 674 66 66 LYS CA C 59.110 0.300 1 675 66 66 LYS CB C 32.226 0.300 1 676 66 66 LYS CD C 29.285 0.300 1 677 66 66 LYS CE C 42.080 0.300 1 678 66 66 LYS CG C 24.850 0.300 1 679 66 66 LYS N N 120.251 0.300 1 680 67 67 TYR H H 8.324 0.030 1 681 67 67 TYR HA H 4.274 0.030 1 682 67 67 TYR HB2 H 3.073 0.030 2 683 67 67 TYR HB3 H 3.245 0.030 2 684 67 67 TYR HD1 H 7.122 0.030 1 685 67 67 TYR HD2 H 7.122 0.030 1 686 67 67 TYR HE1 H 6.656 0.030 1 687 67 67 TYR HE2 H 6.656 0.030 1 688 67 67 TYR C C 177.412 0.300 1 689 67 67 TYR CA C 60.576 0.300 1 690 67 67 TYR CB C 37.043 0.300 1 691 67 67 TYR CD1 C 132.408 0.300 1 692 67 67 TYR CD2 C 132.408 0.300 1 693 67 67 TYR CE1 C 117.857 0.300 1 694 67 67 TYR CE2 C 117.857 0.300 1 695 67 67 TYR N N 118.725 0.300 1 696 68 68 ARG H H 8.084 0.030 1 697 68 68 ARG HA H 4.218 0.030 1 698 68 68 ARG HB2 H 2.023 0.030 1 699 68 68 ARG HB3 H 2.023 0.030 1 700 68 68 ARG HD2 H 3.285 0.030 1 701 68 68 ARG HD3 H 3.285 0.030 1 702 68 68 ARG HG2 H 1.741 0.030 2 703 68 68 ARG HG3 H 1.686 0.030 2 704 68 68 ARG C C 179.209 0.300 1 705 68 68 ARG CA C 58.616 0.300 1 706 68 68 ARG CB C 29.343 0.300 1 707 68 68 ARG CD C 43.439 0.300 1 708 68 68 ARG CG C 27.282 0.300 1 709 68 68 ARG N N 119.763 0.300 1 710 69 69 LEU H H 8.168 0.030 1 711 69 69 LEU HA H 4.244 0.030 1 712 69 69 LEU HB2 H 1.841 0.030 2 713 69 69 LEU HB3 H 1.653 0.030 2 714 69 69 LEU HD1 H 0.952 0.030 1 715 69 69 LEU HD2 H 0.913 0.030 1 716 69 69 LEU HG H 1.776 0.030 1 717 69 69 LEU C C 178.457 0.300 1 718 69 69 LEU CA C 56.981 0.300 1 719 69 69 LEU CB C 41.955 0.300 1 720 69 69 LEU CD1 C 25.305 0.300 2 721 69 69 LEU CD2 C 23.319 0.300 2 722 69 69 LEU CG C 27.204 0.300 1 723 69 69 LEU N N 120.874 0.300 1 724 70 70 MET H H 7.942 0.030 1 725 70 70 MET HA H 4.440 0.030 1 726 70 70 MET HB2 H 2.080 0.030 2 727 70 70 MET HB3 H 2.214 0.030 2 728 70 70 MET HE H 1.998 0.030 1 729 70 70 MET HG2 H 2.565 0.030 2 730 70 70 MET HG3 H 2.705 0.030 2 731 70 70 MET C C 176.417 0.300 1 732 70 70 MET CA C 55.958 0.300 1 733 70 70 MET CB C 33.711 0.300 1 734 70 70 MET CE C 16.710 0.300 1 735 70 70 MET CG C 32.029 0.300 1 736 70 70 MET N N 117.335 0.300 1 737 71 71 GLY H H 8.107 0.030 1 738 71 71 GLY HA2 H 3.906 0.030 2 739 71 71 GLY HA3 H 4.055 0.030 2 740 71 71 GLY C C 174.255 0.300 1 741 71 71 GLY CA C 45.852 0.300 1 742 71 71 GLY N N 109.096 0.300 1 743 72 72 ILE H H 8.036 0.030 1 744 72 72 ILE HA H 4.197 0.030 1 745 72 72 ILE HB H 1.687 0.030 1 746 72 72 ILE HD1 H 0.687 0.030 1 747 72 72 ILE HG12 H 1.017 0.030 2 748 72 72 ILE HG13 H 1.355 0.030 2 749 72 72 ILE HG2 H 0.833 0.030 1 750 72 72 ILE C C 175.712 0.300 1 751 72 72 ILE CA C 60.626 0.300 1 752 72 72 ILE CB C 39.203 0.300 1 753 72 72 ILE CD1 C 12.907 0.300 1 754 72 72 ILE CG1 C 27.054 0.300 1 755 72 72 ILE CG2 C 17.559 0.300 1 756 72 72 ILE N N 120.615 0.300 1 757 73 73 GLU H H 8.523 0.030 1 758 73 73 GLU HA H 4.306 0.030 1 759 73 73 GLU HB2 H 2.023 0.030 2 760 73 73 GLU HB3 H 1.943 0.030 2 761 73 73 GLU HG2 H 2.236 0.030 2 762 73 73 GLU HG3 H 2.288 0.030 2 763 73 73 GLU C C 176.417 0.300 1 764 73 73 GLU CA C 56.551 0.300 1 765 73 73 GLU CB C 30.167 0.300 1 766 73 73 GLU CG C 36.267 0.300 1 767 73 73 GLU N N 125.837 0.300 1 768 74 74 VAL H H 8.319 0.030 1 769 74 74 VAL HA H 4.187 0.030 1 770 74 74 VAL HB H 2.067 0.030 1 771 74 74 VAL HG1 H 1.025 0.030 1 772 74 74 VAL HG2 H 0.950 0.030 1 773 74 74 VAL C C 176.052 0.300 1 774 74 74 VAL CA C 62.103 0.300 1 775 74 74 VAL CB C 33.063 0.300 1 776 74 74 VAL CG1 C 21.097 0.300 2 777 74 74 VAL CG2 C 21.855 0.300 2 778 74 74 VAL N N 122.642 0.300 1 779 75 75 SER H H 8.460 0.030 1 780 75 75 SER HA H 4.469 0.030 1 781 75 75 SER HB2 H 3.852 0.030 1 782 75 75 SER HB3 H 3.852 0.030 1 783 75 75 SER C C 174.547 0.300 1 784 75 75 SER CA C 58.413 0.300 1 785 75 75 SER CB C 64.015 0.300 1 786 75 75 SER N N 120.411 0.300 1 787 76 76 GLY H H 8.307 0.030 1 788 76 76 GLY HA2 H 4.096 0.030 2 789 76 76 GLY C C 171.729 0.300 1 790 76 76 GLY CA C 44.566 0.300 1 791 76 76 GLY N N 110.975 0.300 1 792 77 77 PRO HA H 4.508 0.030 1 793 77 77 PRO HB2 H 1.980 0.030 2 794 77 77 PRO HB3 H 2.300 0.030 2 795 77 77 PRO HD2 H 3.610 0.030 2 796 77 77 PRO HG2 H 2.016 0.030 1 797 77 77 PRO HG3 H 2.016 0.030 1 798 77 77 PRO CA C 63.054 0.300 1 799 77 77 PRO CB C 32.299 0.300 1 800 77 77 PRO CD C 49.689 0.300 1 801 77 77 PRO CG C 27.261 0.300 1 802 79 79 SER HA H 4.507 0.030 1 803 79 79 SER HB2 H 3.901 0.030 1 804 79 79 SER HB3 H 3.901 0.030 1 805 79 79 SER C C 173.939 0.300 1 806 79 79 SER CA C 58.427 0.300 1 807 79 79 SER CB C 64.293 0.300 1 808 80 80 GLY H H 8.054 0.030 1 809 80 80 GLY C C 179.039 0.300 1 810 80 80 GLY CA C 46.295 0.300 1 811 80 80 GLY N N 116.746 0.300 1 stop_ save_