data_10245 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structures of the SH3 domain of human megakaryocyte-associated tyrosine-protein kinase. ; _BMRB_accession_number 10245 _BMRB_flat_file_name bmr10245.str _Entry_type new _Submission_date 2008-10-24 _Accession_date 2008-10-28 _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 Koshiba S. . . 3 Inoue M. . . 4 Kigawa T. . . 5 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" 422 "13C chemical shifts" 313 "15N chemical shifts" 69 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-11-03 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structures of the SH3 domain of human megakaryocyte-associated tyrosine-protein kinase. ; _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 Koshiba S. . . 3 Inoue M. . . 4 Kigawa T. . . 5 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 'Megakaryocyte-associated tyrosine-protein kinase' _Enzyme_commission_number E.C.2.7.1.112 loop_ _Mol_system_component_name _Mol_label 'SH3 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 'SH3 domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 81 _Mol_residue_sequence ; GSSGSSGRMPTRRWAPGTQC ITKCEHTRPKPGELAFRKGD VVTILEACENKSWYRVKHHT SGQEGLLAAGALRERSGPSS G ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ARG 9 MET 10 PRO 11 THR 12 ARG 13 ARG 14 TRP 15 ALA 16 PRO 17 GLY 18 THR 19 GLN 20 CYS 21 ILE 22 THR 23 LYS 24 CYS 25 GLU 26 HIS 27 THR 28 ARG 29 PRO 30 LYS 31 PRO 32 GLY 33 GLU 34 LEU 35 ALA 36 PHE 37 ARG 38 LYS 39 GLY 40 ASP 41 VAL 42 VAL 43 THR 44 ILE 45 LEU 46 GLU 47 ALA 48 CYS 49 GLU 50 ASN 51 LYS 52 SER 53 TRP 54 TYR 55 ARG 56 VAL 57 LYS 58 HIS 59 HIS 60 THR 61 SER 62 GLY 63 GLN 64 GLU 65 GLY 66 LEU 67 LEU 68 ALA 69 ALA 70 GLY 71 ALA 72 LEU 73 ARG 74 GLU 75 ARG 76 SER 77 GLY 78 PRO 79 SER 80 SER 81 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-23 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 1X6G "Solution Structures Of The Sh3 Domain Of Human Megakaryocyte-Associated Tyrosine-Protein Kinase" 100.00 81 100.00 100.00 7.05e-51 GB AAA16703 "tyrosine kinase [Homo sapiens]" 85.19 527 97.10 98.55 1.42e-38 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 P041101-07 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 2.6 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 0.9295 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 1.0.7 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structure solution' 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 'SH3 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 3.949 0.030 1 2 7 7 GLY HA3 H 3.949 0.030 1 3 7 7 GLY C C 173.958 0.300 1 4 7 7 GLY CA C 45.361 0.300 1 5 8 8 ARG H H 8.111 0.030 1 6 8 8 ARG HA H 4.327 0.030 1 7 8 8 ARG HB2 H 1.803 0.030 2 8 8 8 ARG HB3 H 1.708 0.030 2 9 8 8 ARG HD2 H 3.164 0.030 1 10 8 8 ARG HD3 H 3.164 0.030 1 11 8 8 ARG HG2 H 1.573 0.030 2 12 8 8 ARG C C 176.238 0.300 1 13 8 8 ARG CA C 55.753 0.300 1 14 8 8 ARG CB C 30.845 0.300 1 15 8 8 ARG CD C 43.342 0.300 1 16 8 8 ARG CG C 27.152 0.300 1 17 8 8 ARG N N 120.366 0.300 1 18 9 9 MET H H 8.433 0.030 1 19 9 9 MET HA H 4.765 0.030 1 20 9 9 MET HB2 H 1.946 0.030 2 21 9 9 MET HB3 H 2.026 0.030 2 22 9 9 MET HE H 2.071 0.030 1 23 9 9 MET HG2 H 2.538 0.030 2 24 9 9 MET HG3 H 2.628 0.030 2 25 9 9 MET C C 174.255 0.300 1 26 9 9 MET CA C 53.262 0.300 1 27 9 9 MET CB C 32.279 0.300 1 28 9 9 MET CE C 17.101 0.300 1 29 9 9 MET CG C 32.159 0.300 1 30 9 9 MET N N 123.259 0.300 1 31 10 10 PRO HA H 4.452 0.030 1 32 10 10 PRO HB2 H 1.833 0.030 2 33 10 10 PRO HB3 H 2.259 0.030 2 34 10 10 PRO HD2 H 3.818 0.030 2 35 10 10 PRO HD3 H 3.657 0.030 2 36 10 10 PRO HG2 H 1.970 0.030 1 37 10 10 PRO HG3 H 1.970 0.030 1 38 10 10 PRO C C 176.891 0.300 1 39 10 10 PRO CA C 62.981 0.300 1 40 10 10 PRO CB C 32.111 0.300 1 41 10 10 PRO CD C 50.738 0.300 1 42 10 10 PRO CG C 27.383 0.300 1 43 11 11 THR H H 8.222 0.030 1 44 11 11 THR HA H 4.162 0.030 1 45 11 11 THR HB H 4.057 0.030 1 46 11 11 THR HG2 H 1.135 0.030 1 47 11 11 THR C C 174.304 0.300 1 48 11 11 THR CA C 62.056 0.300 1 49 11 11 THR CB C 69.782 0.300 1 50 11 11 THR CG2 C 21.751 0.300 1 51 11 11 THR N N 115.266 0.300 1 52 12 12 ARG H H 8.201 0.030 1 53 12 12 ARG HA H 4.185 0.030 1 54 12 12 ARG HB2 H 1.586 0.030 1 55 12 12 ARG HB3 H 1.586 0.030 1 56 12 12 ARG HD2 H 3.056 0.030 1 57 12 12 ARG HD3 H 3.056 0.030 1 58 12 12 ARG HG2 H 1.418 0.030 1 59 12 12 ARG HG3 H 1.418 0.030 1 60 12 12 ARG C C 175.412 0.300 1 61 12 12 ARG CA C 55.728 0.300 1 62 12 12 ARG CB C 30.724 0.300 1 63 12 12 ARG CD C 43.252 0.300 1 64 12 12 ARG CG C 26.702 0.300 1 65 12 12 ARG N N 124.004 0.300 1 66 13 13 ARG H H 8.265 0.030 1 67 13 13 ARG HA H 4.119 0.030 1 68 13 13 ARG HB2 H 1.615 0.030 2 69 13 13 ARG HB3 H 1.842 0.030 2 70 13 13 ARG HD2 H 3.055 0.030 1 71 13 13 ARG HD3 H 3.055 0.030 1 72 13 13 ARG HG2 H 1.417 0.030 1 73 13 13 ARG HG3 H 1.417 0.030 1 74 13 13 ARG C C 176.079 0.300 1 75 13 13 ARG CA C 54.697 0.300 1 76 13 13 ARG CB C 31.169 0.300 1 77 13 13 ARG CD C 43.195 0.300 1 78 13 13 ARG CG C 26.702 0.300 1 79 13 13 ARG N N 122.421 0.300 1 80 14 14 TRP H H 7.768 0.030 1 81 14 14 TRP HA H 4.709 0.030 1 82 14 14 TRP HB2 H 2.654 0.030 2 83 14 14 TRP HB3 H 2.829 0.030 2 84 14 14 TRP HD1 H 6.976 0.030 1 85 14 14 TRP HE1 H 10.105 0.030 1 86 14 14 TRP HE3 H 6.779 0.030 1 87 14 14 TRP HH2 H 7.059 0.030 1 88 14 14 TRP HZ2 H 7.365 0.030 1 89 14 14 TRP HZ3 H 6.799 0.030 1 90 14 14 TRP C C 175.443 0.300 1 91 14 14 TRP CA C 57.559 0.300 1 92 14 14 TRP CB C 29.860 0.300 1 93 14 14 TRP CD1 C 126.097 0.300 1 94 14 14 TRP CE3 C 118.179 0.300 1 95 14 14 TRP CH2 C 124.109 0.300 1 96 14 14 TRP CZ2 C 113.822 0.300 1 97 14 14 TRP CZ3 C 121.561 0.300 1 98 14 14 TRP N N 122.642 0.300 1 99 14 14 TRP NE1 N 129.635 0.300 1 100 15 15 ALA H H 8.457 0.030 1 101 15 15 ALA HA H 4.709 0.030 1 102 15 15 ALA HB H 1.415 0.030 1 103 15 15 ALA C C 176.526 0.300 1 104 15 15 ALA CA C 49.818 0.300 1 105 15 15 ALA CB C 18.287 0.300 1 106 15 15 ALA N N 124.036 0.300 1 107 16 16 PRO HA H 4.029 0.030 1 108 16 16 PRO HB2 H 1.894 0.030 2 109 16 16 PRO HB3 H 2.346 0.030 2 110 16 16 PRO HD2 H 3.671 0.030 2 111 16 16 PRO HD3 H 4.019 0.030 2 112 16 16 PRO HG2 H 1.890 0.030 2 113 16 16 PRO HG3 H 2.314 0.030 2 114 16 16 PRO C C 176.808 0.300 1 115 16 16 PRO CA C 64.065 0.300 1 116 16 16 PRO CB C 31.485 0.300 1 117 16 16 PRO CD C 50.824 0.300 1 118 16 16 PRO CG C 28.702 0.300 1 119 17 17 GLY H H 9.402 0.030 1 120 17 17 GLY HA2 H 3.448 0.030 2 121 17 17 GLY HA3 H 4.511 0.030 2 122 17 17 GLY C C 174.543 0.300 1 123 17 17 GLY CA C 44.752 0.300 1 124 17 17 GLY N N 113.271 0.300 1 125 18 18 THR H H 7.741 0.030 1 126 18 18 THR HA H 4.011 0.030 1 127 18 18 THR HB H 3.787 0.030 1 128 18 18 THR HG2 H 1.011 0.030 1 129 18 18 THR C C 173.079 0.300 1 130 18 18 THR CA C 64.752 0.300 1 131 18 18 THR CB C 69.687 0.300 1 132 18 18 THR CG2 C 21.419 0.300 1 133 18 18 THR N N 118.533 0.300 1 134 19 19 GLN H H 8.815 0.030 1 135 19 19 GLN HA H 5.156 0.030 1 136 19 19 GLN HB2 H 1.628 0.030 2 137 19 19 GLN HB3 H 1.934 0.030 2 138 19 19 GLN HE21 H 6.784 0.030 2 139 19 19 GLN HE22 H 7.467 0.030 2 140 19 19 GLN HG2 H 2.321 0.030 2 141 19 19 GLN HG3 H 2.458 0.030 2 142 19 19 GLN C C 175.326 0.300 1 143 19 19 GLN CA C 54.943 0.300 1 144 19 19 GLN CB C 29.699 0.300 1 145 19 19 GLN CG C 34.295 0.300 1 146 19 19 GLN N N 125.417 0.300 1 147 19 19 GLN NE2 N 111.024 0.300 1 148 20 20 CYS H H 8.775 0.030 1 149 20 20 CYS HA H 4.655 0.030 1 150 20 20 CYS HB2 H 1.731 0.030 2 151 20 20 CYS HB3 H 2.354 0.030 2 152 20 20 CYS C C 171.410 0.300 1 153 20 20 CYS CA C 56.527 0.300 1 154 20 20 CYS CB C 33.412 0.300 1 155 20 20 CYS N N 120.452 0.300 1 156 21 21 ILE H H 8.747 0.030 1 157 21 21 ILE HA H 5.179 0.030 1 158 21 21 ILE HB H 1.317 0.030 1 159 21 21 ILE HD1 H 0.737 0.030 1 160 21 21 ILE HG12 H 1.222 0.030 2 161 21 21 ILE HG13 H 0.877 0.030 2 162 21 21 ILE HG2 H 0.767 0.030 1 163 21 21 ILE C C 176.108 0.300 1 164 21 21 ILE CA C 58.024 0.300 1 165 21 21 ILE CB C 41.619 0.300 1 166 21 21 ILE CD1 C 13.539 0.300 1 167 21 21 ILE CG1 C 27.483 0.300 1 168 21 21 ILE CG2 C 17.678 0.300 1 169 21 21 ILE N N 117.975 0.300 1 170 22 22 THR H H 8.685 0.030 1 171 22 22 THR HA H 4.862 0.030 1 172 22 22 THR HB H 4.520 0.030 1 173 22 22 THR HG2 H 0.499 0.030 1 174 22 22 THR C C 178.036 0.300 1 175 22 22 THR CA C 60.724 0.300 1 176 22 22 THR CB C 70.338 0.300 1 177 22 22 THR CG2 C 22.535 0.300 1 178 22 22 THR N N 114.708 0.300 1 179 23 23 LYS H H 9.129 0.030 1 180 23 23 LYS HA H 4.320 0.030 1 181 23 23 LYS HB2 H 1.633 0.030 2 182 23 23 LYS HB3 H 1.899 0.030 2 183 23 23 LYS HD2 H 1.559 0.030 1 184 23 23 LYS HD3 H 1.559 0.030 1 185 23 23 LYS HE2 H 2.910 0.030 1 186 23 23 LYS HE3 H 2.910 0.030 1 187 23 23 LYS HG2 H 1.306 0.030 1 188 23 23 LYS HG3 H 1.306 0.030 1 189 23 23 LYS C C 174.829 0.300 1 190 23 23 LYS CA C 56.511 0.300 1 191 23 23 LYS CB C 34.078 0.300 1 192 23 23 LYS CD C 29.555 0.300 1 193 23 23 LYS CE C 41.813 0.300 1 194 23 23 LYS CG C 24.934 0.300 1 195 23 23 LYS N N 120.697 0.300 1 196 24 24 CYS H H 7.861 0.030 1 197 24 24 CYS HA H 4.889 0.030 1 198 24 24 CYS HB2 H 3.039 0.030 2 199 24 24 CYS HB3 H 3.396 0.030 2 200 24 24 CYS C C 170.461 0.300 1 201 24 24 CYS CA C 54.854 0.300 1 202 24 24 CYS CB C 30.724 0.300 1 203 24 24 CYS N N 113.467 0.300 1 204 25 25 GLU H H 8.231 0.030 1 205 25 25 GLU HA H 4.611 0.030 1 206 25 25 GLU HB2 H 2.108 0.030 1 207 25 25 GLU HB3 H 2.108 0.030 1 208 25 25 GLU HG2 H 2.251 0.030 2 209 25 25 GLU HG3 H 2.327 0.030 2 210 25 25 GLU C C 175.344 0.300 1 211 25 25 GLU CA C 54.388 0.300 1 212 25 25 GLU CB C 32.517 0.300 1 213 25 25 GLU CG C 35.697 0.300 1 214 25 25 GLU N N 115.180 0.300 1 215 26 26 HIS H H 8.260 0.030 1 216 26 26 HIS HA H 4.710 0.030 1 217 26 26 HIS HB2 H 1.703 0.030 2 218 26 26 HIS HB3 H 1.807 0.030 2 219 26 26 HIS HD2 H 7.248 0.030 1 220 26 26 HIS HE1 H 7.902 0.030 1 221 26 26 HIS C C 174.118 0.300 1 222 26 26 HIS CA C 55.610 0.300 1 223 26 26 HIS CB C 32.193 0.300 1 224 26 26 HIS CD2 C 118.492 0.300 1 225 26 26 HIS CE1 C 139.424 0.300 1 226 26 26 HIS N N 124.244 0.300 1 227 27 27 THR H H 8.143 0.030 1 228 27 27 THR HA H 4.294 0.030 1 229 27 27 THR HB H 4.299 0.030 1 230 27 27 THR HG2 H 1.076 0.030 1 231 27 27 THR C C 174.697 0.300 1 232 27 27 THR CA C 61.406 0.300 1 233 27 27 THR CB C 69.782 0.300 1 234 27 27 THR CG2 C 21.759 0.300 1 235 27 27 THR N N 113.634 0.300 1 236 28 28 ARG H H 7.821 0.030 1 237 28 28 ARG HA H 4.653 0.030 1 238 28 28 ARG HB2 H 1.703 0.030 2 239 28 28 ARG HB3 H 1.539 0.030 2 240 28 28 ARG HD2 H 3.159 0.030 2 241 28 28 ARG HD3 H 3.113 0.030 2 242 28 28 ARG HG2 H 1.436 0.030 2 243 28 28 ARG HG3 H 1.510 0.030 2 244 28 28 ARG C C 172.511 0.300 1 245 28 28 ARG CA C 53.322 0.300 1 246 28 28 ARG CB C 29.668 0.300 1 247 28 28 ARG CD C 43.483 0.300 1 248 28 28 ARG CG C 26.568 0.300 1 249 28 28 ARG N N 121.366 0.300 1 250 29 29 PRO HA H 4.238 0.030 1 251 29 29 PRO HB2 H 2.212 0.030 2 252 29 29 PRO HB3 H 1.683 0.030 2 253 29 29 PRO HD2 H 3.499 0.030 2 254 29 29 PRO HD3 H 2.780 0.030 2 255 29 29 PRO HG2 H 1.745 0.030 2 256 29 29 PRO HG3 H 1.871 0.030 2 257 29 29 PRO C C 177.792 0.300 1 258 29 29 PRO CA C 62.667 0.300 1 259 29 29 PRO CB C 32.988 0.300 1 260 29 29 PRO CD C 50.573 0.300 1 261 29 29 PRO CG C 27.331 0.300 1 262 30 30 LYS H H 8.430 0.030 1 263 30 30 LYS HA H 4.485 0.030 1 264 30 30 LYS HB2 H 1.906 0.030 2 265 30 30 LYS HB3 H 1.396 0.030 2 266 30 30 LYS HD2 H 1.741 0.030 1 267 30 30 LYS HD3 H 1.741 0.030 1 268 30 30 LYS HE2 H 3.057 0.030 1 269 30 30 LYS HE3 H 3.057 0.030 1 270 30 30 LYS HG2 H 1.497 0.030 2 271 30 30 LYS HG3 H 1.674 0.030 2 272 30 30 LYS C C 174.255 0.300 1 273 30 30 LYS CA C 54.724 0.300 1 274 30 30 LYS CB C 31.099 0.300 1 275 30 30 LYS CD C 29.040 0.300 1 276 30 30 LYS CE C 42.111 0.300 1 277 30 30 LYS CG C 25.333 0.300 1 278 30 30 LYS N N 123.239 0.300 1 279 31 31 PRO HA H 4.273 0.030 1 280 31 31 PRO HB2 H 1.805 0.030 2 281 31 31 PRO HB3 H 2.283 0.030 2 282 31 31 PRO HD2 H 3.540 0.030 2 283 31 31 PRO HD3 H 3.803 0.030 2 284 31 31 PRO HG2 H 1.975 0.030 2 285 31 31 PRO HG3 H 2.130 0.030 2 286 31 31 PRO C C 177.664 0.300 1 287 31 31 PRO CA C 64.991 0.300 1 288 31 31 PRO CB C 31.339 0.300 1 289 31 31 PRO CD C 50.106 0.300 1 290 31 31 PRO CG C 28.091 0.300 1 291 32 32 GLY H H 8.775 0.030 1 292 32 32 GLY HA2 H 3.703 0.030 2 293 32 32 GLY HA3 H 4.291 0.030 2 294 32 32 GLY C C 174.724 0.300 1 295 32 32 GLY CA C 45.151 0.300 1 296 32 32 GLY N N 113.646 0.300 1 297 33 33 GLU H H 8.295 0.030 1 298 33 33 GLU HA H 4.741 0.030 1 299 33 33 GLU HB2 H 2.402 0.030 2 300 33 33 GLU HB3 H 2.589 0.030 2 301 33 33 GLU HG2 H 2.098 0.030 2 302 33 33 GLU HG3 H 2.175 0.030 2 303 33 33 GLU C C 176.279 0.300 1 304 33 33 GLU CA C 55.175 0.300 1 305 33 33 GLU CB C 31.118 0.300 1 306 33 33 GLU CG C 36.469 0.300 1 307 33 33 GLU N N 119.806 0.300 1 308 34 34 LEU H H 7.941 0.030 1 309 34 34 LEU HA H 4.404 0.030 1 310 34 34 LEU HB2 H 1.376 0.030 2 311 34 34 LEU HB3 H 1.591 0.030 2 312 34 34 LEU HD1 H 0.729 0.030 1 313 34 34 LEU HD2 H 0.768 0.030 1 314 34 34 LEU HG H 1.601 0.030 1 315 34 34 LEU C C 176.614 0.300 1 316 34 34 LEU CA C 54.430 0.300 1 317 34 34 LEU CB C 44.288 0.300 1 318 34 34 LEU CD1 C 24.647 0.300 2 319 34 34 LEU CD2 C 26.612 0.300 2 320 34 34 LEU CG C 26.746 0.300 1 321 34 34 LEU N N 120.062 0.300 1 322 35 35 ALA H H 8.261 0.030 1 323 35 35 ALA HA H 4.714 0.030 1 324 35 35 ALA HB H 1.263 0.030 1 325 35 35 ALA C C 177.114 0.300 1 326 35 35 ALA CA C 50.838 0.300 1 327 35 35 ALA CB C 20.113 0.300 1 328 35 35 ALA N N 124.259 0.300 1 329 36 36 PHE H H 7.774 0.030 1 330 36 36 PHE HA H 4.824 0.030 1 331 36 36 PHE HB2 H 3.318 0.030 2 332 36 36 PHE HB3 H 3.474 0.030 2 333 36 36 PHE HD1 H 7.006 0.030 1 334 36 36 PHE HD2 H 7.006 0.030 1 335 36 36 PHE HE1 H 7.539 0.030 1 336 36 36 PHE HE2 H 7.539 0.030 1 337 36 36 PHE HZ H 7.017 0.030 1 338 36 36 PHE C C 174.015 0.300 1 339 36 36 PHE CA C 56.914 0.300 1 340 36 36 PHE CB C 39.502 0.300 1 341 36 36 PHE CD1 C 133.232 0.300 1 342 36 36 PHE CD2 C 133.232 0.300 1 343 36 36 PHE CE1 C 132.176 0.300 1 344 36 36 PHE CE2 C 132.176 0.300 1 345 36 36 PHE CZ C 130.409 0.300 1 346 36 36 PHE N N 112.482 0.300 1 347 37 37 ARG H H 9.005 0.030 1 348 37 37 ARG HA H 4.642 0.030 1 349 37 37 ARG HB2 H 1.993 0.030 2 350 37 37 ARG HB3 H 1.925 0.030 2 351 37 37 ARG HD2 H 3.217 0.030 1 352 37 37 ARG HD3 H 3.217 0.030 1 353 37 37 ARG HG2 H 1.780 0.030 2 354 37 37 ARG HG3 H 1.682 0.030 2 355 37 37 ARG C C 176.379 0.300 1 356 37 37 ARG CA C 53.829 0.300 1 357 37 37 ARG CB C 32.058 0.300 1 358 37 37 ARG CD C 43.101 0.300 1 359 37 37 ARG CG C 27.571 0.300 1 360 37 37 ARG N N 121.093 0.300 1 361 38 38 LYS H H 8.785 0.030 1 362 38 38 LYS HA H 3.797 0.030 1 363 38 38 LYS HB2 H 1.359 0.030 2 364 38 38 LYS HB3 H 1.710 0.030 2 365 38 38 LYS HD2 H 1.633 0.030 1 366 38 38 LYS HD3 H 1.633 0.030 1 367 38 38 LYS HE2 H 2.935 0.030 1 368 38 38 LYS HE3 H 2.935 0.030 1 369 38 38 LYS HG2 H 0.998 0.030 2 370 38 38 LYS HG3 H 1.178 0.030 2 371 38 38 LYS C C 177.537 0.300 1 372 38 38 LYS CA C 58.653 0.300 1 373 38 38 LYS CB C 32.737 0.300 1 374 38 38 LYS CD C 29.698 0.300 1 375 38 38 LYS CE C 41.993 0.300 1 376 38 38 LYS CG C 25.382 0.300 1 377 38 38 LYS N N 123.708 0.300 1 378 39 39 GLY H H 8.382 0.030 1 379 39 39 GLY HA2 H 3.484 0.030 2 380 39 39 GLY HA3 H 4.286 0.030 2 381 39 39 GLY C C 173.551 0.300 1 382 39 39 GLY CA C 45.247 0.300 1 383 39 39 GLY N N 117.551 0.300 1 384 40 40 ASP H H 7.591 0.030 1 385 40 40 ASP HA H 4.510 0.030 1 386 40 40 ASP HB2 H 2.539 0.030 2 387 40 40 ASP HB3 H 2.886 0.030 2 388 40 40 ASP C C 174.370 0.300 1 389 40 40 ASP CA C 54.504 0.300 1 390 40 40 ASP CB C 41.386 0.300 1 391 40 40 ASP N N 123.024 0.300 1 392 41 41 VAL H H 8.096 0.030 1 393 41 41 VAL HA H 4.522 0.030 1 394 41 41 VAL HB H 1.466 0.030 1 395 41 41 VAL HG1 H 0.795 0.030 1 396 41 41 VAL HG2 H 0.314 0.030 1 397 41 41 VAL C C 175.926 0.300 1 398 41 41 VAL CA C 61.385 0.300 1 399 41 41 VAL CB C 32.014 0.300 1 400 41 41 VAL CG1 C 21.686 0.300 2 401 41 41 VAL CG2 C 21.424 0.300 2 402 41 41 VAL N N 120.026 0.300 1 403 42 42 VAL H H 8.567 0.030 1 404 42 42 VAL HA H 5.140 0.030 1 405 42 42 VAL HB H 1.715 0.030 1 406 42 42 VAL HG1 H 0.524 0.030 1 407 42 42 VAL HG2 H 0.246 0.030 1 408 42 42 VAL C C 173.951 0.300 1 409 42 42 VAL CA C 57.442 0.300 1 410 42 42 VAL CB C 34.841 0.300 1 411 42 42 VAL CG1 C 20.412 0.300 2 412 42 42 VAL CG2 C 19.298 0.300 2 413 42 42 VAL N N 117.698 0.300 1 414 43 43 THR H H 8.801 0.030 1 415 43 43 THR HA H 4.921 0.030 1 416 43 43 THR HB H 3.911 0.030 1 417 43 43 THR HG2 H 1.046 0.030 1 418 43 43 THR C C 174.845 0.300 1 419 43 43 THR CA C 61.872 0.300 1 420 43 43 THR CB C 71.197 0.300 1 421 43 43 THR CG2 C 21.780 0.300 1 422 43 43 THR N N 117.094 0.300 1 423 44 44 ILE H H 8.928 0.030 1 424 44 44 ILE HA H 3.670 0.030 1 425 44 44 ILE HB H 2.168 0.030 1 426 44 44 ILE HD1 H 0.099 0.030 1 427 44 44 ILE HG12 H 0.895 0.030 2 428 44 44 ILE HG13 H 1.368 0.030 2 429 44 44 ILE HG2 H 0.764 0.030 1 430 44 44 ILE C C 175.344 0.300 1 431 44 44 ILE CA C 61.165 0.300 1 432 44 44 ILE CB C 36.196 0.300 1 433 44 44 ILE CD1 C 9.455 0.300 1 434 44 44 ILE CG1 C 27.125 0.300 1 435 44 44 ILE CG2 C 18.184 0.300 1 436 44 44 ILE N N 125.313 0.300 1 437 45 45 LEU H H 9.466 0.030 1 438 45 45 LEU HA H 4.741 0.030 1 439 45 45 LEU HB2 H 1.496 0.030 1 440 45 45 LEU HB3 H 1.496 0.030 1 441 45 45 LEU HD1 H 0.762 0.030 1 442 45 45 LEU HD2 H 0.810 0.030 1 443 45 45 LEU HG H 1.623 0.030 1 444 45 45 LEU C C 176.905 0.300 1 445 45 45 LEU CA C 55.633 0.300 1 446 45 45 LEU CB C 42.521 0.300 1 447 45 45 LEU CD1 C 26.049 0.300 2 448 45 45 LEU CD2 C 21.755 0.300 2 449 45 45 LEU CG C 26.612 0.300 1 450 45 45 LEU N N 128.545 0.300 1 451 46 46 GLU H H 8.065 0.030 1 452 46 46 GLU HA H 4.531 0.030 1 453 46 46 GLU HB2 H 2.051 0.030 1 454 46 46 GLU HB3 H 2.051 0.030 1 455 46 46 GLU HG2 H 2.249 0.030 2 456 46 46 GLU HG3 H 2.146 0.030 2 457 46 46 GLU C C 174.221 0.300 1 458 46 46 GLU CA C 55.807 0.300 1 459 46 46 GLU CB C 33.887 0.300 1 460 46 46 GLU CG C 35.784 0.300 1 461 46 46 GLU N N 115.954 0.300 1 462 47 47 ALA H H 9.240 0.030 1 463 47 47 ALA HA H 4.594 0.030 1 464 47 47 ALA HB H 1.396 0.030 1 465 47 47 ALA C C 176.559 0.300 1 466 47 47 ALA CA C 51.564 0.300 1 467 47 47 ALA CB C 18.824 0.300 1 468 47 47 ALA N N 128.765 0.300 1 469 48 48 CYS H H 7.469 0.030 1 470 48 48 CYS HA H 4.242 0.030 1 471 48 48 CYS HB2 H 3.254 0.030 2 472 48 48 CYS HB3 H 2.846 0.030 2 473 48 48 CYS C C 174.449 0.300 1 474 48 48 CYS CA C 59.564 0.300 1 475 48 48 CYS CB C 28.108 0.300 1 476 48 48 CYS N N 121.894 0.300 1 477 49 49 GLU H H 8.846 0.030 1 478 49 49 GLU HA H 3.915 0.030 1 479 49 49 GLU HB2 H 1.982 0.030 1 480 49 49 GLU HB3 H 1.982 0.030 1 481 49 49 GLU HG2 H 2.240 0.030 2 482 49 49 GLU HG3 H 2.296 0.030 2 483 49 49 GLU CA C 59.125 0.300 1 484 49 49 GLU CB C 29.442 0.300 1 485 49 49 GLU CG C 36.135 0.300 1 486 49 49 GLU N N 123.579 0.300 1 487 50 50 ASN H H 8.070 0.030 1 488 50 50 ASN HA H 4.594 0.030 1 489 50 50 ASN HB2 H 2.816 0.030 2 490 50 50 ASN HB3 H 2.944 0.030 2 491 50 50 ASN HD21 H 7.010 0.030 2 492 50 50 ASN HD22 H 7.727 0.030 2 493 50 50 ASN CA C 53.236 0.300 1 494 50 50 ASN CB C 38.271 0.300 1 495 50 50 ASN N N 120.362 0.300 1 496 50 50 ASN ND2 N 113.003 0.300 1 497 51 51 LYS HA H 4.193 0.030 1 498 51 51 LYS HB2 H 1.783 0.030 2 499 51 51 LYS HB3 H 1.723 0.030 2 500 51 51 LYS HD2 H 1.598 0.030 2 501 51 51 LYS HD3 H 1.495 0.030 2 502 51 51 LYS HE2 H 2.905 0.030 2 503 51 51 LYS HG2 H 1.394 0.030 1 504 51 51 LYS HG3 H 1.394 0.030 1 505 51 51 LYS CA C 56.979 0.300 1 506 51 51 LYS CB C 32.548 0.300 1 507 51 51 LYS CD C 29.004 0.300 1 508 51 51 LYS CE C 42.036 0.300 1 509 51 51 LYS CG C 24.723 0.300 1 510 52 52 SER HA H 4.312 0.030 1 511 52 52 SER HB2 H 3.663 0.030 1 512 52 52 SER HB3 H 3.663 0.030 1 513 52 52 SER C C 173.631 0.300 1 514 52 52 SER CA C 59.047 0.300 1 515 52 52 SER CB C 62.799 0.300 1 516 53 53 TRP H H 7.903 0.030 1 517 53 53 TRP HA H 5.142 0.030 1 518 53 53 TRP HB2 H 2.797 0.030 2 519 53 53 TRP HB3 H 3.257 0.030 2 520 53 53 TRP HD1 H 6.907 0.030 1 521 53 53 TRP HE1 H 10.273 0.030 1 522 53 53 TRP HE3 H 7.382 0.030 1 523 53 53 TRP HH2 H 7.315 0.030 1 524 53 53 TRP HZ2 H 7.481 0.030 1 525 53 53 TRP HZ3 H 6.984 0.030 1 526 53 53 TRP C C 174.028 0.300 1 527 53 53 TRP CA C 56.535 0.300 1 528 53 53 TRP CB C 33.947 0.300 1 529 53 53 TRP CD1 C 126.442 0.300 1 530 53 53 TRP CE3 C 120.116 0.300 1 531 53 53 TRP CH2 C 125.548 0.300 1 532 53 53 TRP CZ2 C 114.613 0.300 1 533 53 53 TRP CZ3 C 121.807 0.300 1 534 53 53 TRP N N 120.658 0.300 1 535 53 53 TRP NE1 N 129.215 0.300 1 536 54 54 TYR H H 9.064 0.030 1 537 54 54 TYR HA H 5.122 0.030 1 538 54 54 TYR HB2 H 2.476 0.030 2 539 54 54 TYR HB3 H 2.983 0.030 2 540 54 54 TYR HD1 H 7.050 0.030 1 541 54 54 TYR HD2 H 7.050 0.030 1 542 54 54 TYR HE1 H 7.024 0.030 1 543 54 54 TYR HE2 H 7.024 0.030 1 544 54 54 TYR C C 174.554 0.300 1 545 54 54 TYR CA C 57.904 0.300 1 546 54 54 TYR CB C 42.916 0.300 1 547 54 54 TYR CD1 C 133.189 0.300 1 548 54 54 TYR CD2 C 133.189 0.300 1 549 54 54 TYR CE1 C 118.475 0.300 1 550 54 54 TYR CE2 C 118.475 0.300 1 551 54 54 TYR N N 117.037 0.300 1 552 55 55 ARG H H 9.059 0.030 1 553 55 55 ARG HA H 5.053 0.030 1 554 55 55 ARG HB2 H 1.597 0.030 2 555 55 55 ARG HB3 H 1.931 0.030 2 556 55 55 ARG HD2 H 3.154 0.030 2 557 55 55 ARG HD3 H 3.309 0.030 2 558 55 55 ARG HE H 7.555 0.030 1 559 55 55 ARG HG2 H 1.503 0.030 2 560 55 55 ARG HG3 H 1.454 0.030 2 561 55 55 ARG C C 176.549 0.300 1 562 55 55 ARG CA C 55.895 0.300 1 563 55 55 ARG CB C 32.206 0.300 1 564 55 55 ARG CD C 43.050 0.300 1 565 55 55 ARG CG C 28.501 0.300 1 566 55 55 ARG N N 122.095 0.300 1 567 55 55 ARG NE N 82.589 0.300 1 568 56 56 VAL H H 9.298 0.030 1 569 56 56 VAL HA H 5.340 0.030 1 570 56 56 VAL HB H 1.944 0.030 1 571 56 56 VAL HG1 H 0.788 0.030 1 572 56 56 VAL HG2 H 0.682 0.030 1 573 56 56 VAL C C 172.608 0.300 1 574 56 56 VAL CA C 58.731 0.300 1 575 56 56 VAL CB C 35.485 0.300 1 576 56 56 VAL CG1 C 22.412 0.300 2 577 56 56 VAL CG2 C 20.455 0.300 2 578 56 56 VAL N N 119.444 0.300 1 579 57 57 LYS H H 8.831 0.030 1 580 57 57 LYS HA H 5.022 0.030 1 581 57 57 LYS HB2 H 1.826 0.030 2 582 57 57 LYS HB3 H 1.675 0.030 2 583 57 57 LYS HD2 H 1.642 0.030 1 584 57 57 LYS HD3 H 1.642 0.030 1 585 57 57 LYS HE2 H 2.905 0.030 1 586 57 57 LYS HE3 H 2.905 0.030 1 587 57 57 LYS HG2 H 1.168 0.030 1 588 57 57 LYS HG3 H 1.168 0.030 1 589 57 57 LYS C C 175.475 0.300 1 590 57 57 LYS CA C 54.239 0.300 1 591 57 57 LYS CB C 35.962 0.300 1 592 57 57 LYS CD C 29.670 0.300 1 593 57 57 LYS CE C 42.110 0.300 1 594 57 57 LYS CG C 24.940 0.300 1 595 57 57 LYS N N 119.053 0.300 1 596 58 58 HIS H H 9.471 0.030 1 597 58 58 HIS HA H 4.539 0.030 1 598 58 58 HIS HB2 H 2.910 0.030 2 599 58 58 HIS HB3 H 3.520 0.030 2 600 58 58 HIS HD2 H 6.718 0.030 1 601 58 58 HIS HE1 H 7.934 0.030 1 602 58 58 HIS C C 176.545 0.300 1 603 58 58 HIS CA C 57.544 0.300 1 604 58 58 HIS CB C 33.024 0.300 1 605 58 58 HIS CD2 C 116.145 0.300 1 606 58 58 HIS CE1 C 140.406 0.300 1 607 58 58 HIS N N 130.324 0.300 1 608 59 59 HIS H H 8.262 0.030 1 609 59 59 HIS HA H 4.220 0.030 1 610 59 59 HIS HB2 H 3.014 0.030 1 611 59 59 HIS HB3 H 3.014 0.030 1 612 59 59 HIS HE1 H 7.448 0.030 1 613 59 59 HIS C C 177.751 0.300 1 614 59 59 HIS CA C 60.315 0.300 1 615 59 59 HIS CB C 29.708 0.300 1 616 59 59 HIS CE1 C 137.887 0.300 1 617 59 59 HIS N N 127.827 0.300 1 618 60 60 THR H H 9.523 0.030 1 619 60 60 THR HA H 4.151 0.030 1 620 60 60 THR HB H 4.157 0.030 1 621 60 60 THR HG2 H 1.277 0.030 1 622 60 60 THR C C 175.968 0.300 1 623 60 60 THR CA C 65.674 0.300 1 624 60 60 THR CB C 68.787 0.300 1 625 60 60 THR CG2 C 22.484 0.300 1 626 60 60 THR N N 115.306 0.300 1 627 61 61 SER H H 8.822 0.030 1 628 61 61 SER HA H 4.554 0.030 1 629 61 61 SER HB2 H 3.917 0.030 2 630 61 61 SER HB3 H 4.060 0.030 2 631 61 61 SER C C 176.563 0.300 1 632 61 61 SER CA C 59.259 0.300 1 633 61 61 SER CB C 64.781 0.300 1 634 61 61 SER N N 116.596 0.300 1 635 62 62 GLY H H 8.196 0.030 1 636 62 62 GLY HA2 H 3.845 0.030 2 637 62 62 GLY HA3 H 4.268 0.030 2 638 62 62 GLY C C 173.799 0.300 1 639 62 62 GLY CA C 46.100 0.300 1 640 62 62 GLY N N 112.621 0.300 1 641 63 63 GLN H H 8.048 0.030 1 642 63 63 GLN HA H 4.322 0.030 1 643 63 63 GLN HB2 H 1.895 0.030 2 644 63 63 GLN HB3 H 2.101 0.030 2 645 63 63 GLN HE21 H 6.881 0.030 2 646 63 63 GLN HE22 H 7.529 0.030 2 647 63 63 GLN HG2 H 2.380 0.030 1 648 63 63 GLN HG3 H 2.380 0.030 1 649 63 63 GLN C C 174.348 0.300 1 650 63 63 GLN CA C 55.917 0.300 1 651 63 63 GLN CB C 30.522 0.300 1 652 63 63 GLN CG C 34.167 0.300 1 653 63 63 GLN N N 119.476 0.300 1 654 63 63 GLN NE2 N 112.227 0.300 1 655 64 64 GLU H H 8.543 0.030 1 656 64 64 GLU HA H 5.765 0.030 1 657 64 64 GLU HB2 H 1.864 0.030 1 658 64 64 GLU HB3 H 1.864 0.030 1 659 64 64 GLU HG2 H 2.341 0.030 2 660 64 64 GLU HG3 H 2.054 0.030 2 661 64 64 GLU C C 177.039 0.300 1 662 64 64 GLU CA C 53.614 0.300 1 663 64 64 GLU CB C 32.569 0.300 1 664 64 64 GLU CG C 36.596 0.300 1 665 64 64 GLU N N 119.231 0.300 1 666 65 65 GLY H H 8.585 0.030 1 667 65 65 GLY HA2 H 3.972 0.030 2 668 65 65 GLY HA3 H 4.223 0.030 2 669 65 65 GLY C C 171.243 0.300 1 670 65 65 GLY CA C 45.481 0.300 1 671 65 65 GLY N N 107.632 0.300 1 672 66 66 LEU H H 8.503 0.030 1 673 66 66 LEU HA H 5.409 0.030 1 674 66 66 LEU HB2 H 1.515 0.030 2 675 66 66 LEU HB3 H 1.632 0.030 2 676 66 66 LEU HD1 H 0.513 0.030 1 677 66 66 LEU HD2 H 0.683 0.030 1 678 66 66 LEU HG H 1.613 0.030 1 679 66 66 LEU C C 177.848 0.300 1 680 66 66 LEU CA C 54.972 0.300 1 681 66 66 LEU CB C 44.183 0.300 1 682 66 66 LEU CD1 C 24.940 0.300 2 683 66 66 LEU CD2 C 23.556 0.300 2 684 66 66 LEU CG C 27.421 0.300 1 685 66 66 LEU N N 119.353 0.300 1 686 67 67 LEU H H 9.595 0.030 1 687 67 67 LEU HA H 4.651 0.030 1 688 67 67 LEU HB2 H 1.537 0.030 2 689 67 67 LEU HB3 H 1.813 0.030 2 690 67 67 LEU HD1 H 0.464 0.030 1 691 67 67 LEU HD2 H 0.541 0.030 1 692 67 67 LEU HG H 1.821 0.030 1 693 67 67 LEU C C 174.837 0.300 1 694 67 67 LEU CA C 55.822 0.300 1 695 67 67 LEU CB C 47.429 0.300 1 696 67 67 LEU CD1 C 26.756 0.300 2 697 67 67 LEU CD2 C 26.522 0.300 2 698 67 67 LEU CG C 28.472 0.300 1 699 67 67 LEU N N 124.703 0.300 1 700 68 68 ALA H H 8.750 0.030 1 701 68 68 ALA HA H 3.629 0.030 1 702 68 68 ALA HB H 0.867 0.030 1 703 68 68 ALA C C 177.850 0.300 1 704 68 68 ALA CA C 52.151 0.300 1 705 68 68 ALA CB C 18.117 0.300 1 706 68 68 ALA N N 129.638 0.300 1 707 69 69 ALA H H 8.291 0.030 1 708 69 69 ALA HA H 4.033 0.030 1 709 69 69 ALA HB H 1.402 0.030 1 710 69 69 ALA C C 180.271 0.300 1 711 69 69 ALA CA C 55.477 0.300 1 712 69 69 ALA CB C 19.139 0.300 1 713 69 69 ALA N N 123.772 0.300 1 714 70 70 GLY H H 8.576 0.030 1 715 70 70 GLY HA2 H 3.763 0.030 2 716 70 70 GLY HA3 H 4.023 0.030 2 717 70 70 GLY C C 174.206 0.300 1 718 70 70 GLY CA C 45.815 0.300 1 719 70 70 GLY N N 101.775 0.300 1 720 71 71 ALA H H 7.599 0.030 1 721 71 71 ALA HA H 4.469 0.030 1 722 71 71 ALA HB H 1.484 0.030 1 723 71 71 ALA C C 176.348 0.300 1 724 71 71 ALA CA C 52.141 0.300 1 725 71 71 ALA CB C 19.822 0.300 1 726 71 71 ALA N N 120.654 0.300 1 727 72 72 LEU H H 7.292 0.030 1 728 72 72 LEU HA H 4.854 0.030 1 729 72 72 LEU HB2 H 0.739 0.030 2 730 72 72 LEU HB3 H 2.044 0.030 2 731 72 72 LEU HD1 H 0.409 0.030 1 732 72 72 LEU HD2 H 0.235 0.030 1 733 72 72 LEU HG H 1.468 0.030 1 734 72 72 LEU C C 175.870 0.300 1 735 72 72 LEU CA C 53.882 0.300 1 736 72 72 LEU CB C 46.317 0.300 1 737 72 72 LEU CD1 C 25.395 0.300 2 738 72 72 LEU CD2 C 23.847 0.300 2 739 72 72 LEU CG C 25.548 0.300 1 740 72 72 LEU N N 117.721 0.300 1 741 73 73 ARG H H 8.515 0.030 1 742 73 73 ARG HA H 4.742 0.030 1 743 73 73 ARG HB2 H 1.741 0.030 2 744 73 73 ARG HB3 H 1.823 0.030 2 745 73 73 ARG HD2 H 3.104 0.030 2 746 73 73 ARG HD3 H 3.158 0.030 2 747 73 73 ARG HG2 H 1.470 0.030 2 748 73 73 ARG HG3 H 1.536 0.030 2 749 73 73 ARG C C 174.412 0.300 1 750 73 73 ARG CA C 54.173 0.300 1 751 73 73 ARG CB C 33.607 0.300 1 752 73 73 ARG CD C 43.612 0.300 1 753 73 73 ARG CG C 26.443 0.300 1 754 73 73 ARG N N 116.830 0.300 1 755 74 74 GLU H H 9.008 0.030 1 756 74 74 GLU HA H 4.005 0.030 1 757 74 74 GLU HB2 H 1.897 0.030 2 758 74 74 GLU HB3 H 1.973 0.030 2 759 74 74 GLU HG2 H 2.074 0.030 2 760 74 74 GLU HG3 H 2.168 0.030 2 761 74 74 GLU C C 176.293 0.300 1 762 74 74 GLU CA C 57.463 0.300 1 763 74 74 GLU CB C 30.093 0.300 1 764 74 74 GLU CG C 36.416 0.300 1 765 74 74 GLU N N 123.832 0.300 1 766 75 75 ARG H H 8.475 0.030 1 767 75 75 ARG HA H 4.097 0.030 1 768 75 75 ARG HB2 H 1.707 0.030 2 769 75 75 ARG HB3 H 1.286 0.030 2 770 75 75 ARG HD2 H 2.896 0.030 2 771 75 75 ARG HD3 H 3.055 0.030 2 772 75 75 ARG HG2 H 1.501 0.030 2 773 75 75 ARG HG3 H 1.553 0.030 2 774 75 75 ARG C C 175.761 0.300 1 775 75 75 ARG CA C 57.222 0.300 1 776 75 75 ARG CB C 30.799 0.300 1 777 75 75 ARG CD C 43.882 0.300 1 778 75 75 ARG CG C 27.250 0.300 1 779 75 75 ARG N N 124.620 0.300 1 780 77 77 GLY H H 8.275 0.030 1 781 77 77 GLY HA2 H 4.083 0.030 2 782 77 77 GLY HA3 H 4.146 0.030 2 783 77 77 GLY CA C 44.664 0.300 1 784 78 78 PRO HA H 4.457 0.030 1 785 78 78 PRO HB2 H 2.283 0.030 1 786 78 78 PRO HB3 H 2.283 0.030 1 787 78 78 PRO HD2 H 3.618 0.030 1 788 78 78 PRO HD3 H 3.618 0.030 1 789 78 78 PRO HG2 H 2.011 0.030 1 790 78 78 PRO HG3 H 2.011 0.030 1 791 78 78 PRO CA C 63.221 0.300 1 792 78 78 PRO CB C 32.206 0.300 1 793 78 78 PRO CD C 49.780 0.300 1 794 78 78 PRO CG C 27.152 0.300 1 795 80 80 SER HA H 4.479 0.030 1 796 80 80 SER HB2 H 3.875 0.030 1 797 80 80 SER HB3 H 3.875 0.030 1 798 80 80 SER C C 173.923 0.300 1 799 80 80 SER CA C 58.189 0.300 1 800 80 80 SER CB C 63.917 0.300 1 801 81 81 GLY H H 8.048 0.030 1 802 81 81 GLY C C 179.006 0.300 1 803 81 81 GLY CA C 46.185 0.300 1 804 81 81 GLY N N 116.803 0.300 1 stop_ save_