data_10063 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the fourth SH3 domain of human intersectin 2 (KIAA1256) ; _BMRB_accession_number 10063 _BMRB_flat_file_name bmr10063.str _Entry_type original _Submission_date 2006-12-25 _Accession_date 2006-12-26 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tochio N. . . 2 Kigawa T. . . 3 Koshiba S. . . 4 Kobayashi N. . . 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" 408 "13C chemical shifts" 304 "15N chemical shifts" 74 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-08-14 original author . stop_ _Original_release_date 2008-08-14 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the fourth SH3 domain of human intersectin 2 (KIAA1256)' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tochio N. . . 2 Kigawa T. . . 3 Koshiba S. . . 4 Kobayashi N. . . 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 'Intersectin 2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Intersectin 2' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state 'protein monomer' _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'SH3 domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 80 _Mol_residue_sequence ; GSSGSSGEIAQVTSAYVASG SEQLSLAPGQLILILKKNTS GWWQGELQARGKKRQKGWFP ASHVKLLGPSSERASGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLU 9 ILE 10 ALA 11 GLN 12 VAL 13 THR 14 SER 15 ALA 16 TYR 17 VAL 18 ALA 19 SER 20 GLY 21 SER 22 GLU 23 GLN 24 LEU 25 SER 26 LEU 27 ALA 28 PRO 29 GLY 30 GLN 31 LEU 32 ILE 33 LEU 34 ILE 35 LEU 36 LYS 37 LYS 38 ASN 39 THR 40 SER 41 GLY 42 TRP 43 TRP 44 GLN 45 GLY 46 GLU 47 LEU 48 GLN 49 ALA 50 ARG 51 GLY 52 LYS 53 LYS 54 ARG 55 GLN 56 LYS 57 GLY 58 TRP 59 PHE 60 PRO 61 ALA 62 SER 63 HIS 64 VAL 65 LYS 66 LEU 67 LEU 68 GLY 69 PRO 70 SER 71 SER 72 GLU 73 ARG 74 ALA 75 SER 76 GLY 77 PRO 78 SER 79 SER 80 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1UE9 "Solution Structure Of The Fourth Sh3 Domain Of Human Intersectin 2 (Kiaa1256)" 100.00 80 100.00 100.00 3.16e-46 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 P021015-65 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 1.4 mM '[U-13C; U-15N]' phosphate 20 mM . NaCl 100 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20020425 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.816 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 refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_15N-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 6.0 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'Intersectin 2' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 6 6 SER HA H 4.513 0.030 1 2 7 7 GLY H H 8.281 0.030 1 3 7 7 GLY HA2 H 3.962 0.030 1 4 7 7 GLY HA3 H 3.962 0.030 1 5 7 7 GLY C C 173.295 0.300 1 6 7 7 GLY CA C 45.229 0.300 1 7 7 7 GLY N N 110.108 0.300 1 8 8 8 GLU H H 8.413 0.030 1 9 8 8 GLU HA H 4.355 0.030 1 10 8 8 GLU HB2 H 1.946 0.030 2 11 8 8 GLU HB3 H 1.799 0.030 2 12 8 8 GLU HG2 H 2.181 0.030 2 13 8 8 GLU HG3 H 2.067 0.030 2 14 8 8 GLU C C 174.288 0.300 1 15 8 8 GLU CA C 56.381 0.300 1 16 8 8 GLU CB C 31.724 0.300 1 17 8 8 GLU CG C 36.904 0.300 1 18 8 8 GLU N N 121.469 0.300 1 19 9 9 ILE H H 8.400 0.030 1 20 9 9 ILE HA H 5.066 0.030 1 21 9 9 ILE HB H 1.828 0.030 1 22 9 9 ILE HG12 H 1.481 0.030 2 23 9 9 ILE HG13 H 1.288 0.030 2 24 9 9 ILE HG2 H 0.903 0.030 1 25 9 9 ILE HD1 H 0.773 0.030 1 26 9 9 ILE C C 174.627 0.300 1 27 9 9 ILE CA C 58.703 0.300 1 28 9 9 ILE CB C 39.441 0.300 1 29 9 9 ILE CG1 C 27.282 0.300 1 30 9 9 ILE CG2 C 18.744 0.300 1 31 9 9 ILE CD1 C 11.617 0.300 1 32 9 9 ILE N N 122.979 0.300 1 33 10 10 ALA H H 9.393 0.030 1 34 10 10 ALA HA H 5.332 0.030 1 35 10 10 ALA HB H 1.333 0.030 1 36 10 10 ALA C C 174.361 0.300 1 37 10 10 ALA CA C 49.486 0.300 1 38 10 10 ALA CB C 23.749 0.300 1 39 10 10 ALA N N 127.596 0.300 1 40 11 11 GLN H H 9.043 0.030 1 41 11 11 GLN HA H 5.397 0.030 1 42 11 11 GLN HB2 H 1.934 0.030 2 43 11 11 GLN HB3 H 1.813 0.030 2 44 11 11 GLN HG2 H 2.100 0.030 1 45 11 11 GLN HG3 H 2.100 0.030 1 46 11 11 GLN HE21 H 7.429 0.030 2 47 11 11 GLN HE22 H 6.856 0.030 2 48 11 11 GLN C C 175.935 0.300 1 49 11 11 GLN CA C 53.145 0.300 1 50 11 11 GLN CB C 32.861 0.300 1 51 11 11 GLN CG C 33.808 0.300 1 52 11 11 GLN N N 119.804 0.300 1 53 11 11 GLN NE2 N 111.289 0.300 1 54 12 12 VAL H H 9.037 0.030 1 55 12 12 VAL HA H 4.129 0.030 1 56 12 12 VAL HB H 2.254 0.030 1 57 12 12 VAL HG1 H 0.965 0.030 1 58 12 12 VAL HG2 H 0.727 0.030 1 59 12 12 VAL C C 177.850 0.300 1 60 12 12 VAL CA C 63.805 0.300 1 61 12 12 VAL CB C 32.300 0.300 1 62 12 12 VAL CG1 C 23.502 0.300 2 63 12 12 VAL CG2 C 23.601 0.300 2 64 12 12 VAL N N 126.065 0.300 1 65 13 13 THR H H 9.439 0.030 1 66 13 13 THR HA H 4.454 0.030 1 67 13 13 THR HB H 4.245 0.030 1 68 13 13 THR HG2 H 1.129 0.030 1 69 13 13 THR C C 174.797 0.300 1 70 13 13 THR CA C 62.046 0.300 1 71 13 13 THR CB C 69.218 0.300 1 72 13 13 THR CG2 C 22.515 0.300 1 73 13 13 THR N N 122.055 0.300 1 74 14 14 SER H H 7.593 0.030 1 75 14 14 SER HA H 4.627 0.030 1 76 14 14 SER HB2 H 3.702 0.030 2 77 14 14 SER HB3 H 3.657 0.030 2 78 14 14 SER C C 172.350 0.300 1 79 14 14 SER CA C 57.437 0.300 1 80 14 14 SER CB C 65.108 0.300 1 81 14 14 SER N N 116.643 0.300 1 82 15 15 ALA H H 8.821 0.030 1 83 15 15 ALA HA H 4.083 0.030 1 84 15 15 ALA HB H 1.475 0.030 1 85 15 15 ALA C C 176.977 0.300 1 86 15 15 ALA CA C 52.758 0.300 1 87 15 15 ALA CB C 19.664 0.300 1 88 15 15 ALA N N 124.761 0.300 1 89 16 16 TYR H H 8.535 0.030 1 90 16 16 TYR HA H 4.684 0.030 1 91 16 16 TYR HB2 H 2.430 0.030 2 92 16 16 TYR HB3 H 2.330 0.030 2 93 16 16 TYR HD1 H 7.198 0.030 1 94 16 16 TYR HD2 H 7.198 0.030 1 95 16 16 TYR HE1 H 6.965 0.030 1 96 16 16 TYR HE2 H 6.965 0.030 1 97 16 16 TYR C C 173.682 0.300 1 98 16 16 TYR CA C 57.965 0.300 1 99 16 16 TYR CB C 42.742 0.300 1 100 16 16 TYR CD1 C 133.170 0.300 1 101 16 16 TYR CD2 C 133.170 0.300 1 102 16 16 TYR CE1 C 118.249 0.300 1 103 16 16 TYR CE2 C 118.249 0.300 1 104 16 16 TYR N N 119.691 0.300 1 105 17 17 VAL H H 7.839 0.030 1 106 17 17 VAL HA H 3.944 0.030 1 107 17 17 VAL HB H 1.688 0.030 1 108 17 17 VAL HG1 H 0.824 0.030 1 109 17 17 VAL HG2 H 0.808 0.030 1 110 17 17 VAL C C 173.610 0.300 1 111 17 17 VAL CA C 61.201 0.300 1 112 17 17 VAL CB C 32.218 0.300 1 113 17 17 VAL CG1 C 20.706 0.300 1 114 17 17 VAL CG2 C 20.706 0.300 1 115 17 17 VAL N N 130.755 0.300 1 116 18 18 ALA H H 8.201 0.030 1 117 18 18 ALA HA H 4.098 0.030 1 118 18 18 ALA HB H 1.407 0.030 1 119 18 18 ALA C C 178.237 0.300 1 120 18 18 ALA CA C 53.285 0.300 1 121 18 18 ALA CB C 20.589 0.300 1 122 18 18 ALA N N 128.653 0.300 1 123 19 19 SER H H 8.217 0.030 1 124 19 19 SER HA H 4.621 0.030 1 125 19 19 SER HB2 H 3.995 0.030 2 126 19 19 SER HB3 H 3.887 0.030 2 127 19 19 SER C C 174.046 0.300 1 128 19 19 SER CA C 57.226 0.300 1 129 19 19 SER CB C 63.956 0.300 1 130 19 19 SER N N 115.998 0.300 1 131 20 20 GLY H H 7.570 0.030 1 132 20 20 GLY HA2 H 4.165 0.030 1 133 20 20 GLY HA3 H 4.165 0.030 1 134 20 20 GLY C C 174.482 0.300 1 135 20 20 GLY CA C 44.947 0.300 1 136 20 20 GLY N N 109.091 0.300 1 137 21 21 SER H H 8.646 0.030 1 138 21 21 SER HA H 4.340 0.030 1 139 21 21 SER HB2 H 4.034 0.030 2 140 21 21 SER HB3 H 3.980 0.030 2 141 21 21 SER C C 175.257 0.300 1 142 21 21 SER CA C 60.779 0.300 1 143 21 21 SER CB C 63.545 0.300 1 144 21 21 SER N N 115.649 0.300 1 145 22 22 GLU H H 9.238 0.030 1 146 22 22 GLU HA H 4.649 0.030 1 147 22 22 GLU HB2 H 2.506 0.030 2 148 22 22 GLU HB3 H 2.238 0.030 2 149 22 22 GLU HG2 H 2.415 0.030 2 150 22 22 GLU HG3 H 2.321 0.030 2 151 22 22 GLU C C 176.420 0.300 1 152 22 22 GLU CA C 56.804 0.300 1 153 22 22 GLU CB C 29.011 0.300 1 154 22 22 GLU CG C 36.740 0.300 1 155 22 22 GLU N N 119.705 0.300 1 156 23 23 GLN H H 7.684 0.030 1 157 23 23 GLN HA H 5.637 0.030 1 158 23 23 GLN HB2 H 2.700 0.030 2 159 23 23 GLN HB3 H 2.264 0.030 2 160 23 23 GLN HG2 H 2.566 0.030 1 161 23 23 GLN HG3 H 2.566 0.030 1 162 23 23 GLN HE21 H 7.619 0.030 2 163 23 23 GLN HE22 H 7.228 0.030 2 164 23 23 GLN C C 175.088 0.300 1 165 23 23 GLN CA C 55.009 0.300 1 166 23 23 GLN CB C 31.949 0.300 1 167 23 23 GLN CG C 34.273 0.300 1 168 23 23 GLN N N 118.296 0.300 1 169 23 23 GLN NE2 N 114.943 0.300 1 170 24 24 LEU H H 8.615 0.030 1 171 24 24 LEU HA H 4.691 0.030 1 172 24 24 LEU HB2 H 1.686 0.030 2 173 24 24 LEU HB3 H 1.086 0.030 2 174 24 24 LEU HG H 1.549 0.030 1 175 24 24 LEU HD1 H 0.793 0.030 1 176 24 24 LEU HD2 H 0.699 0.030 1 177 24 24 LEU C C 175.475 0.300 1 178 24 24 LEU CA C 53.391 0.300 1 179 24 24 LEU CB C 45.949 0.300 1 180 24 24 LEU CG C 26.215 0.300 1 181 24 24 LEU CD1 C 24.635 0.300 2 182 24 24 LEU CD2 C 24.656 0.300 2 183 24 24 LEU N N 123.454 0.300 1 184 25 25 SER H H 8.080 0.030 1 185 25 25 SER HA H 4.797 0.030 1 186 25 25 SER HB2 H 4.038 0.030 2 187 25 25 SER HB3 H 3.850 0.030 2 188 25 25 SER C C 173.731 0.300 1 189 25 25 SER CA C 59.337 0.300 1 190 25 25 SER CB C 64.038 0.300 1 191 25 25 SER N N 118.144 0.300 1 192 26 26 LEU H H 9.290 0.030 1 193 26 26 LEU HA H 4.827 0.030 1 194 26 26 LEU HB2 H 1.687 0.030 2 195 26 26 LEU HB3 H 1.554 0.030 2 196 26 26 LEU HG H 1.751 0.030 1 197 26 26 LEU HD1 H 0.441 0.030 1 198 26 26 LEU HD2 H 0.315 0.030 1 199 26 26 LEU C C 176.008 0.300 1 200 26 26 LEU CA C 53.602 0.300 1 201 26 26 LEU CB C 46.263 0.300 1 202 26 26 LEU CG C 25.824 0.300 1 203 26 26 LEU CD1 C 25.393 0.300 2 204 26 26 LEU CD2 C 22.433 0.300 2 205 26 26 LEU N N 121.199 0.300 1 206 27 27 ALA H H 8.382 0.030 1 207 27 27 ALA HA H 4.998 0.030 1 208 27 27 ALA HB H 1.250 0.030 1 209 27 27 ALA C C 174.021 0.300 1 210 27 27 ALA CA C 48.219 0.300 1 211 27 27 ALA CB C 19.970 0.300 1 212 27 27 ALA N N 125.946 0.300 1 213 28 28 PRO HA H 3.649 0.030 1 214 28 28 PRO HB2 H 2.084 0.030 2 215 28 28 PRO HB3 H 1.912 0.030 2 216 28 28 PRO HG2 H 2.264 0.030 2 217 28 28 PRO HG3 H 1.661 0.030 2 218 28 28 PRO HD2 H 3.722 0.030 2 219 28 28 PRO HD3 H 3.531 0.030 2 220 28 28 PRO C C 176.711 0.300 1 221 28 28 PRO CA C 63.875 0.300 1 222 28 28 PRO CB C 31.807 0.300 1 223 28 28 PRO CG C 28.296 0.300 1 224 28 28 PRO CD C 50.718 0.300 1 225 29 29 GLY H H 8.708 0.030 1 226 29 29 GLY HA2 H 4.475 0.030 2 227 29 29 GLY HA3 H 3.539 0.030 2 228 29 29 GLY C C 174.821 0.300 1 229 29 29 GLY CA C 44.912 0.300 1 230 29 29 GLY N N 111.711 0.300 1 231 30 30 GLN H H 7.571 0.030 1 232 30 30 GLN HA H 4.183 0.030 1 233 30 30 GLN HB2 H 2.274 0.030 2 234 30 30 GLN HB3 H 1.806 0.030 2 235 30 30 GLN HG2 H 2.524 0.030 2 236 30 30 GLN HG3 H 2.386 0.030 2 237 30 30 GLN HE21 H 7.586 0.030 2 238 30 30 GLN HE22 H 6.666 0.030 2 239 30 30 GLN C C 174.821 0.300 1 240 30 30 GLN CA C 57.226 0.300 1 241 30 30 GLN CB C 29.504 0.300 1 242 30 30 GLN CG C 35.342 0.300 1 243 30 30 GLN N N 119.500 0.300 1 244 30 30 GLN NE2 N 111.545 0.300 1 245 31 31 LEU H H 8.502 0.030 1 246 31 31 LEU HA H 5.307 0.030 1 247 31 31 LEU HB2 H 1.835 0.030 2 248 31 31 LEU HB3 H 1.250 0.030 2 249 31 31 LEU HG H 1.772 0.030 1 250 31 31 LEU HD1 H 0.928 0.030 1 251 31 31 LEU HD2 H 0.827 0.030 1 252 31 31 LEU C C 175.935 0.300 1 253 31 31 LEU CA C 53.602 0.300 1 254 31 31 LEU CB C 43.138 0.300 1 255 31 31 LEU CG C 27.164 0.300 1 256 31 31 LEU CD1 C 25.311 0.300 2 257 31 31 LEU CD2 C 23.338 0.300 2 258 31 31 LEU N N 120.732 0.300 1 259 32 32 ILE H H 9.171 0.030 1 260 32 32 ILE HA H 4.532 0.030 1 261 32 32 ILE HB H 1.573 0.030 1 262 32 32 ILE HG12 H 0.909 0.030 1 263 32 32 ILE HG13 H 0.909 0.030 1 264 32 32 ILE HG2 H 0.629 0.030 1 265 32 32 ILE HD1 H 0.220 0.030 1 266 32 32 ILE C C 174.748 0.300 1 267 32 32 ILE CA C 58.422 0.300 1 268 32 32 ILE CB C 41.405 0.300 1 269 32 32 ILE CG1 C 26.955 0.300 1 270 32 32 ILE CG2 C 17.829 0.300 1 271 32 32 ILE CD1 C 13.142 0.300 1 272 32 32 ILE N N 121.150 0.300 1 273 33 33 LEU H H 8.730 0.030 1 274 33 33 LEU HA H 4.794 0.030 1 275 33 33 LEU HB2 H 1.838 0.030 2 276 33 33 LEU HB3 H 1.435 0.030 2 277 33 33 LEU HG H 1.377 0.030 1 278 33 33 LEU HD1 H 0.839 0.030 1 279 33 33 LEU HD2 H 0.846 0.030 1 280 33 33 LEU C C 176.129 0.300 1 281 33 33 LEU CA C 54.235 0.300 1 282 33 33 LEU CB C 43.564 0.300 1 283 33 33 LEU CG C 27.449 0.300 1 284 33 33 LEU CD1 C 25.810 0.300 2 285 33 33 LEU CD2 C 23.831 0.300 2 286 33 33 LEU N N 128.054 0.300 1 287 34 34 ILE H H 9.131 0.030 1 288 34 34 ILE HA H 4.096 0.030 1 289 34 34 ILE HB H 2.025 0.030 1 290 34 34 ILE HG12 H 1.650 0.030 2 291 34 34 ILE HG13 H 1.311 0.030 2 292 34 34 ILE HG2 H 0.474 0.030 1 293 34 34 ILE HD1 H 0.974 0.030 1 294 34 34 ILE C C 175.693 0.300 1 295 34 34 ILE CA C 60.357 0.300 1 296 34 34 ILE CB C 35.342 0.300 1 297 34 34 ILE CG1 C 26.621 0.300 1 298 34 34 ILE CG2 C 18.055 0.300 1 299 34 34 ILE CD1 C 11.493 0.300 1 300 34 34 ILE N N 126.921 0.300 1 301 35 35 LEU H H 9.205 0.030 1 302 35 35 LEU HA H 4.442 0.030 1 303 35 35 LEU HB2 H 1.392 0.030 2 304 35 35 LEU HB3 H 1.298 0.030 2 305 35 35 LEU HG H 1.574 0.030 1 306 35 35 LEU HD1 H 0.686 0.030 1 307 35 35 LEU HD2 H 0.761 0.030 1 308 35 35 LEU C C 177.317 0.300 1 309 35 35 LEU CA C 55.537 0.300 1 310 35 35 LEU CB C 43.588 0.300 1 311 35 35 LEU CG C 26.955 0.300 1 312 35 35 LEU CD1 C 25.607 0.300 2 313 35 35 LEU CD2 C 22.226 0.300 2 314 35 35 LEU N N 128.501 0.300 1 315 36 36 LYS H H 7.567 0.030 1 316 36 36 LYS HA H 4.425 0.030 1 317 36 36 LYS HB2 H 1.714 0.030 2 318 36 36 LYS HB3 H 1.520 0.030 2 319 36 36 LYS HG2 H 1.410 0.030 2 320 36 36 LYS HG3 H 1.341 0.030 2 321 36 36 LYS HE2 H 3.077 0.030 1 322 36 36 LYS HE3 H 3.077 0.030 1 323 36 36 LYS C C 173.997 0.300 1 324 36 36 LYS CA C 55.924 0.300 1 325 36 36 LYS CB C 36.822 0.300 1 326 36 36 LYS CG C 25.047 0.300 1 327 36 36 LYS CD C 29.340 0.300 1 328 36 36 LYS CE C 42.249 0.300 1 329 36 36 LYS N N 117.150 0.300 1 330 37 37 LYS H H 8.428 0.030 1 331 37 37 LYS HA H 4.318 0.030 1 332 37 37 LYS HB2 H 1.305 0.030 2 333 37 37 LYS HB3 H 1.203 0.030 2 334 37 37 LYS HG2 H 0.445 0.030 2 335 37 37 LYS HG3 H -0.708 0.030 2 336 37 37 LYS HD2 H 0.972 0.030 1 337 37 37 LYS HD3 H 0.972 0.030 1 338 37 37 LYS HE2 H 2.245 0.030 2 339 37 37 LYS HE3 H 1.758 0.030 2 340 37 37 LYS C C 175.402 0.300 1 341 37 37 LYS CA C 55.256 0.300 1 342 37 37 LYS CB C 34.849 0.300 1 343 37 37 LYS CG C 23.749 0.300 1 344 37 37 LYS CD C 29.669 0.300 1 345 37 37 LYS CE C 41.509 0.300 1 346 37 37 LYS N N 121.772 0.300 1 347 38 38 ASN H H 8.065 0.030 1 348 38 38 ASN HA H 5.331 0.030 1 349 38 38 ASN HB2 H 3.427 0.030 2 350 38 38 ASN HB3 H 3.336 0.030 2 351 38 38 ASN HD21 H 7.433 0.030 2 352 38 38 ASN HD22 H 6.777 0.030 2 353 38 38 ASN C C 177.365 0.300 1 354 38 38 ASN CA C 52.300 0.300 1 355 38 38 ASN CB C 40.359 0.300 1 356 38 38 ASN N N 120.910 0.300 1 357 38 38 ASN ND2 N 112.120 0.300 1 358 39 39 THR H H 8.760 0.030 1 359 39 39 THR HA H 4.355 0.030 1 360 39 39 THR HB H 4.551 0.030 1 361 39 39 THR HG2 H 1.395 0.030 1 362 39 39 THR C C 175.427 0.300 1 363 39 39 THR CA C 64.051 0.300 1 364 39 39 THR CB C 68.889 0.300 1 365 39 39 THR CG2 C 22.050 0.300 1 366 40 40 SER H H 8.606 0.030 1 367 40 40 SER HA H 4.524 0.030 1 368 40 40 SER HB2 H 4.160 0.030 2 369 40 40 SER HB3 H 4.049 0.030 2 370 40 40 SER C C 175.378 0.300 1 371 40 40 SER CA C 58.879 0.300 1 372 40 40 SER CB C 64.038 0.300 1 373 40 40 SER N N 117.025 0.300 1 374 41 41 GLY H H 8.195 0.030 1 375 41 41 GLY HA2 H 4.303 0.030 2 376 41 41 GLY HA3 H 3.662 0.030 2 377 41 41 GLY C C 173.246 0.300 1 378 41 41 GLY CA C 45.334 0.300 1 379 41 41 GLY N N 108.001 0.300 1 380 42 42 TRP H H 7.915 0.030 1 381 42 42 TRP HA H 4.898 0.030 1 382 42 42 TRP HB2 H 3.214 0.030 2 383 42 42 TRP HB3 H 2.922 0.030 2 384 42 42 TRP HD1 H 6.993 0.030 1 385 42 42 TRP HE1 H 10.072 0.030 1 386 42 42 TRP HE3 H 7.329 0.030 1 387 42 42 TRP HZ2 H 7.475 0.030 1 388 42 42 TRP HH2 H 7.326 0.030 1 389 42 42 TRP C C 174.070 0.300 1 390 42 42 TRP CA C 56.944 0.300 1 391 42 42 TRP CB C 29.998 0.300 1 392 42 42 TRP CD1 C 126.853 0.300 1 393 42 42 TRP CE3 C 119.493 0.300 1 394 42 42 TRP CZ2 C 114.772 0.300 1 395 42 42 TRP CZ3 C 120.539 0.300 1 396 42 42 TRP CH2 C 124.692 0.300 1 397 42 42 TRP N N 122.786 0.300 1 398 42 42 TRP NE1 N 129.903 0.300 1 399 43 43 TRP H H 8.931 0.030 1 400 43 43 TRP HA H 5.461 0.030 1 401 43 43 TRP HB2 H 2.912 0.030 2 402 43 43 TRP HB3 H 2.357 0.030 2 403 43 43 TRP HD1 H 7.225 0.030 1 404 43 43 TRP HE1 H 10.266 0.030 1 405 43 43 TRP HE3 H 7.367 0.030 1 406 43 43 TRP HZ2 H 7.471 0.030 1 407 43 43 TRP HH2 H 7.199 0.030 1 408 43 43 TRP C C 172.398 0.300 1 409 43 43 TRP CA C 52.723 0.300 1 410 43 43 TRP CB C 33.615 0.300 1 411 43 43 TRP CD1 C 122.330 0.300 1 412 43 43 TRP CE3 C 119.923 0.300 1 413 43 43 TRP CZ2 C 114.772 0.300 1 414 43 43 TRP CZ3 C 121.231 0.300 1 415 43 43 TRP CH2 C 124.615 0.300 1 416 43 43 TRP N N 124.742 0.300 1 417 43 43 TRP NE1 N 127.741 0.300 1 418 44 44 GLN H H 8.658 0.030 1 419 44 44 GLN HA H 4.427 0.030 1 420 44 44 GLN HB2 H 1.306 0.030 2 421 44 44 GLN HB3 H -0.942 0.030 2 422 44 44 GLN HG2 H 1.377 0.030 2 423 44 44 GLN HG3 H 0.659 0.030 2 424 44 44 GLN HE21 H 6.691 0.030 2 425 44 44 GLN HE22 H 6.606 0.030 2 426 44 44 GLN C C 176.517 0.300 1 427 44 44 GLN CA C 52.758 0.300 1 428 44 44 GLN CB C 30.034 0.300 1 429 44 44 GLN CG C 33.698 0.300 1 430 44 44 GLN N N 120.811 0.300 1 431 44 44 GLN NE2 N 108.632 0.300 1 432 45 45 GLY H H 9.003 0.030 1 433 45 45 GLY HA2 H 5.149 0.030 2 434 45 45 GLY HA3 H 3.821 0.030 2 435 45 45 GLY C C 169.660 0.300 1 436 45 45 GLY CA C 45.721 0.300 1 437 45 45 GLY N N 113.923 0.300 1 438 46 46 GLU H H 9.006 0.030 1 439 46 46 GLU HA H 5.315 0.030 1 440 46 46 GLU HB2 H 1.985 0.030 2 441 46 46 GLU HB3 H 1.890 0.030 2 442 46 46 GLU HG2 H 2.067 0.030 2 443 46 46 GLU HG3 H 2.010 0.030 2 444 46 46 GLU C C 175.863 0.300 1 445 46 46 GLU CA C 54.024 0.300 1 446 46 46 GLU CB C 34.454 0.300 1 447 46 46 GLU CG C 37.151 0.300 1 448 46 46 GLU N N 118.105 0.300 1 449 47 47 LEU H H 8.873 0.030 1 450 47 47 LEU HA H 4.389 0.030 1 451 47 47 LEU HB2 H 1.830 0.030 2 452 47 47 LEU HB3 H 1.559 0.030 2 453 47 47 LEU HG H 1.549 0.030 1 454 47 47 LEU HD1 H 0.889 0.030 1 455 47 47 LEU HD2 H 0.929 0.030 1 456 47 47 LEU C C 176.420 0.300 1 457 47 47 LEU CA C 55.678 0.300 1 458 47 47 LEU CB C 43.811 0.300 1 459 47 47 LEU CG C 27.389 0.300 1 460 47 47 LEU CD1 C 25.238 0.300 2 461 47 47 LEU CD2 C 24.361 0.300 2 462 47 47 LEU N N 129.028 0.300 1 463 48 48 GLN H H 8.770 0.030 1 464 48 48 GLN HA H 4.472 0.030 1 465 48 48 GLN HB2 H 2.073 0.030 2 466 48 48 GLN HB3 H 1.967 0.030 2 467 48 48 GLN HG2 H 2.229 0.030 1 468 48 48 GLN HG3 H 2.229 0.030 1 469 48 48 GLN HE21 H 7.183 0.030 2 470 48 48 GLN HE22 H 7.127 0.030 2 471 48 48 GLN C C 174.554 0.300 1 472 48 48 GLN CA C 55.115 0.300 1 473 48 48 GLN CB C 28.722 0.300 1 474 48 48 GLN CG C 34.168 0.300 1 475 48 48 GLN N N 125.229 0.300 1 476 48 48 GLN NE2 N 113.796 0.300 1 477 49 49 ALA H H 8.008 0.030 1 478 49 49 ALA HA H 4.537 0.030 1 479 49 49 ALA HB H 1.354 0.030 1 480 49 49 ALA C C 176.541 0.300 1 481 49 49 ALA CA C 51.456 0.300 1 482 49 49 ALA CB C 20.706 0.300 1 483 49 49 ALA N N 126.901 0.300 1 484 50 50 ARG H H 8.525 0.030 1 485 50 50 ARG HA H 4.289 0.030 1 486 50 50 ARG HB2 H 1.837 0.030 1 487 50 50 ARG HB3 H 1.837 0.030 1 488 50 50 ARG HG2 H 1.718 0.030 1 489 50 50 ARG HG3 H 1.718 0.030 1 490 50 50 ARG HD2 H 3.260 0.030 1 491 50 50 ARG HD3 H 3.260 0.030 1 492 50 50 ARG C C 177.413 0.300 1 493 50 50 ARG CA C 56.909 0.300 1 494 50 50 ARG CB C 30.409 0.300 1 495 50 50 ARG CG C 27.038 0.300 1 496 50 50 ARG CD C 43.318 0.300 1 497 50 50 ARG N N 121.345 0.300 1 498 51 51 GLY H H 8.664 0.030 1 499 51 51 GLY HA2 H 4.122 0.030 2 500 51 51 GLY HA3 H 3.885 0.030 2 501 51 51 GLY C C 174.191 0.300 1 502 51 51 GLY CA C 45.475 0.300 1 503 51 51 GLY N N 111.511 0.300 1 504 52 52 LYS H H 8.119 0.030 1 505 52 52 LYS HA H 4.413 0.030 1 506 52 52 LYS HB2 H 1.931 0.030 2 507 52 52 LYS HB3 H 1.774 0.030 2 508 52 52 LYS HG2 H 1.425 0.030 1 509 52 52 LYS HG3 H 1.425 0.030 1 510 52 52 LYS HD2 H 1.717 0.030 1 511 52 52 LYS HD3 H 1.717 0.030 1 512 52 52 LYS HE2 H 3.029 0.030 1 513 52 52 LYS HE3 H 3.029 0.030 1 514 52 52 LYS C C 176.614 0.300 1 515 52 52 LYS CA C 55.959 0.300 1 516 52 52 LYS CB C 33.560 0.300 1 517 52 52 LYS CG C 24.818 0.300 1 518 52 52 LYS CD C 28.847 0.300 1 519 52 52 LYS CE C 42.249 0.300 1 520 52 52 LYS N N 119.481 0.300 1 521 53 53 LYS H H 8.085 0.030 1 522 53 53 LYS HA H 4.319 0.030 1 523 53 53 LYS HB2 H 1.808 0.030 1 524 53 53 LYS HB3 H 1.808 0.030 1 525 53 53 LYS HG2 H 1.478 0.030 2 526 53 53 LYS HG3 H 1.424 0.030 2 527 53 53 LYS HE2 H 3.042 0.030 1 528 53 53 LYS HE3 H 3.042 0.030 1 529 53 53 LYS C C 176.469 0.300 1 530 53 53 LYS CA C 56.241 0.300 1 531 53 53 LYS CB C 32.958 0.300 1 532 53 53 LYS CG C 24.900 0.300 1 533 53 53 LYS CD C 29.175 0.300 1 534 53 53 LYS CE C 42.167 0.300 1 535 53 53 LYS N N 120.054 0.300 1 536 54 54 ARG H H 8.491 0.030 1 537 54 54 ARG HA H 4.431 0.030 1 538 54 54 ARG HB2 H 1.798 0.030 1 539 54 54 ARG HB3 H 1.798 0.030 1 540 54 54 ARG HG2 H 1.727 0.030 2 541 54 54 ARG HG3 H 1.599 0.030 2 542 54 54 ARG HD2 H 3.254 0.030 2 543 54 54 ARG HD3 H 3.191 0.030 2 544 54 54 ARG C C 175.960 0.300 1 545 54 54 ARG CA C 56.241 0.300 1 546 54 54 ARG CB C 30.655 0.300 1 547 54 54 ARG CG C 27.202 0.300 1 548 54 54 ARG CD C 43.482 0.300 1 549 54 54 ARG N N 123.817 0.300 1 550 55 55 GLN H H 8.472 0.030 1 551 55 55 GLN HA H 4.576 0.030 1 552 55 55 GLN HB2 H 2.070 0.030 2 553 55 55 GLN HB3 H 1.946 0.030 2 554 55 55 GLN HG2 H 2.413 0.030 2 555 55 55 GLN HG3 H 2.355 0.030 2 556 55 55 GLN HE21 H 7.599 0.030 2 557 55 55 GLN HE22 H 6.905 0.030 2 558 55 55 GLN C C 173.610 0.300 1 559 55 55 GLN CA C 55.432 0.300 1 560 55 55 GLN CB C 31.588 0.300 1 561 55 55 GLN CG C 33.931 0.300 1 562 55 55 GLN N N 124.001 0.300 1 563 55 55 GLN NE2 N 111.968 0.300 1 564 56 56 LYS H H 8.574 0.030 1 565 56 56 LYS HA H 5.681 0.030 1 566 56 56 LYS HB2 H 1.687 0.030 1 567 56 56 LYS HB3 H 1.687 0.030 1 568 56 56 LYS HG2 H 1.303 0.030 2 569 56 56 LYS HG3 H 1.234 0.030 2 570 56 56 LYS HD2 H 1.534 0.030 1 571 56 56 LYS HD3 H 1.534 0.030 1 572 56 56 LYS HE2 H 2.887 0.030 2 573 56 56 LYS HE3 H 2.826 0.030 2 574 56 56 LYS C C 175.984 0.300 1 575 56 56 LYS CA C 54.165 0.300 1 576 56 56 LYS CB C 36.411 0.300 1 577 56 56 LYS CG C 24.242 0.300 1 578 56 56 LYS CD C 29.669 0.300 1 579 56 56 LYS CE C 41.756 0.300 1 580 56 56 LYS N N 122.589 0.300 1 581 57 57 GLY H H 8.693 0.030 1 582 57 57 GLY HA2 H 4.293 0.030 2 583 57 57 GLY HA3 H 4.162 0.030 2 584 57 57 GLY C C 171.163 0.300 1 585 57 57 GLY CA C 45.757 0.300 1 586 57 57 GLY N N 108.232 0.300 1 587 58 58 TRP H H 9.174 0.030 1 588 58 58 TRP HA H 5.724 0.030 1 589 58 58 TRP HB2 H 3.343 0.030 2 590 58 58 TRP HB3 H 3.062 0.030 2 591 58 58 TRP HD1 H 7.628 0.030 1 592 58 58 TRP HE1 H 10.292 0.030 1 593 58 58 TRP HE3 H 7.319 0.030 1 594 58 58 TRP HZ2 H 7.410 0.030 1 595 58 58 TRP HH2 H 7.055 0.030 1 596 58 58 TRP C C 176.905 0.300 1 597 58 58 TRP CA C 57.120 0.300 1 598 58 58 TRP CB C 31.946 0.300 1 599 58 58 TRP CD1 C 128.256 0.300 1 600 58 58 TRP CE3 C 120.754 0.300 1 601 58 58 TRP CZ2 C 114.772 0.300 1 602 58 58 TRP CZ3 C 122.108 0.300 1 603 58 58 TRP CH2 C 124.322 0.300 1 604 58 58 TRP N N 120.811 0.300 1 605 58 58 TRP NE1 N 130.330 0.300 1 606 59 59 PHE H H 9.232 0.030 1 607 59 59 PHE HA H 4.948 0.030 1 608 59 59 PHE HB2 H 3.343 0.030 2 609 59 59 PHE HB3 H 2.508 0.030 2 610 59 59 PHE HD1 H 6.880 0.030 1 611 59 59 PHE HD2 H 6.880 0.030 1 612 59 59 PHE HE1 H 6.850 0.030 1 613 59 59 PHE HE2 H 6.850 0.030 1 614 59 59 PHE HZ H 7.023 0.030 1 615 59 59 PHE C C 170.726 0.300 1 616 59 59 PHE CA C 55.607 0.300 1 617 59 59 PHE CB C 38.420 0.300 1 618 59 59 PHE CD1 C 134.183 0.300 1 619 59 59 PHE CD2 C 134.183 0.300 1 620 59 59 PHE CE1 C 129.838 0.300 1 621 59 59 PHE CE2 C 129.838 0.300 1 622 59 59 PHE CZ C 127.772 0.300 1 623 59 59 PHE N N 117.209 0.300 1 624 60 60 PRO HA H 3.740 0.030 1 625 60 60 PRO HB2 H 1.488 0.030 2 626 60 60 PRO HB3 H 1.311 0.030 2 627 60 60 PRO HG2 H 1.089 0.030 2 628 60 60 PRO HG3 H 0.506 0.030 2 629 60 60 PRO HD2 H 2.300 0.030 2 630 60 60 PRO HD3 H 2.195 0.030 2 631 60 60 PRO C C 177.486 0.300 1 632 60 60 PRO CA C 61.483 0.300 1 633 60 60 PRO CB C 30.080 0.300 1 634 60 60 PRO CG C 27.367 0.300 1 635 60 60 PRO CD C 49.238 0.300 1 636 61 61 ALA H H 8.032 0.030 1 637 61 61 ALA HA H 2.953 0.030 1 638 61 61 ALA HB H -0.378 0.030 1 639 61 61 ALA C C 177.825 0.300 1 640 61 61 ALA CA C 54.306 0.300 1 641 61 61 ALA CB C 15.609 0.300 1 642 61 61 ALA N N 129.068 0.300 1 643 62 62 SER H H 7.831 0.030 1 644 62 62 SER HA H 4.002 0.030 1 645 62 62 SER HB2 H 3.884 0.030 2 646 62 62 SER HB3 H 3.701 0.030 2 647 62 62 SER C C 175.935 0.300 1 648 62 62 SER CA C 59.548 0.300 1 649 62 62 SER CB C 62.820 0.300 1 650 62 62 SER N N 109.288 0.300 1 651 63 63 HIS H H 7.612 0.030 1 652 63 63 HIS HA H 4.341 0.030 1 653 63 63 HIS HB2 H 3.987 0.030 2 654 63 63 HIS HB3 H 2.696 0.030 2 655 63 63 HIS HD2 H 7.022 0.030 1 656 63 63 HIS HE1 H 8.329 0.030 1 657 63 63 HIS C C 173.803 0.300 1 658 63 63 HIS CA C 57.085 0.300 1 659 63 63 HIS CB C 28.929 0.300 1 660 63 63 HIS CD2 C 122.635 0.300 1 661 63 63 HIS CE1 C 137.836 0.300 1 662 63 63 HIS N N 118.901 0.300 1 663 64 64 VAL H H 7.726 0.030 1 664 64 64 VAL HA H 5.334 0.030 1 665 64 64 VAL HB H 1.915 0.030 1 666 64 64 VAL HG1 H 0.569 0.030 1 667 64 64 VAL HG2 H 0.843 0.030 1 668 64 64 VAL C C 173.464 0.300 1 669 64 64 VAL CA C 58.457 0.300 1 670 64 64 VAL CB C 35.671 0.300 1 671 64 64 VAL CG1 C 21.918 0.300 2 672 64 64 VAL CG2 C 19.391 0.300 2 673 64 64 VAL N N 110.724 0.300 1 674 65 65 LYS H H 8.909 0.030 1 675 65 65 LYS HA H 4.815 0.030 1 676 65 65 LYS HB2 H 1.750 0.030 1 677 65 65 LYS HB3 H 1.750 0.030 1 678 65 65 LYS HG2 H 1.381 0.030 1 679 65 65 LYS HG3 H 1.381 0.030 1 680 65 65 LYS HD2 H 1.676 0.030 2 681 65 65 LYS HD3 H 1.625 0.030 2 682 65 65 LYS HE2 H 2.921 0.030 1 683 65 65 LYS HE3 H 2.921 0.030 1 684 65 65 LYS C C 175.984 0.300 1 685 65 65 LYS CA C 54.130 0.300 1 686 65 65 LYS CB C 35.883 0.300 1 687 65 65 LYS CG C 24.324 0.300 1 688 65 65 LYS CD C 29.504 0.300 1 689 65 65 LYS CE C 42.249 0.300 1 690 65 65 LYS N N 119.132 0.300 1 691 66 66 LEU H H 9.019 0.030 1 692 66 66 LEU HA H 4.442 0.030 1 693 66 66 LEU HB2 H 1.814 0.030 2 694 66 66 LEU HB3 H 1.694 0.030 2 695 66 66 LEU HG H 1.921 0.030 1 696 66 66 LEU HD1 H 1.036 0.030 1 697 66 66 LEU HD2 H 0.945 0.030 1 698 66 66 LEU C C 177.389 0.300 1 699 66 66 LEU CA C 56.030 0.300 1 700 66 66 LEU CB C 42.331 0.300 1 701 66 66 LEU CG C 27.367 0.300 1 702 66 66 LEU CD1 C 25.496 0.300 2 703 66 66 LEU CD2 C 24.160 0.300 2 704 66 66 LEU N N 126.434 0.300 1 705 67 67 LEU H H 8.730 0.030 1 706 67 67 LEU HA H 4.504 0.030 1 707 67 67 LEU HB2 H 1.728 0.030 2 708 67 67 LEU HB3 H 1.566 0.030 2 709 67 67 LEU HG H 1.656 0.030 1 710 67 67 LEU HD1 H 0.860 0.030 1 711 67 67 LEU HD2 H 0.843 0.030 1 712 67 67 LEU C C 177.825 0.300 1 713 67 67 LEU CA C 55.045 0.300 1 714 67 67 LEU CB C 42.331 0.300 1 715 67 67 LEU CG C 27.202 0.300 1 716 67 67 LEU CD1 C 25.579 0.300 2 717 67 67 LEU CD2 C 22.598 0.300 2 718 67 67 LEU N N 123.840 0.300 1 719 68 68 GLY H H 8.259 0.030 1 720 68 68 GLY HA2 H 4.174 0.030 1 721 68 68 GLY HA3 H 4.174 0.030 1 722 68 68 GLY C C 171.792 0.300 1 723 68 68 GLY CA C 44.560 0.300 1 724 68 68 GLY N N 108.747 0.300 1 725 69 69 PRO HA H 4.535 0.030 1 726 69 69 PRO HB2 H 2.331 0.030 2 727 69 69 PRO HB3 H 1.987 0.030 2 728 69 69 PRO HG2 H 2.044 0.030 1 729 69 69 PRO HG3 H 2.044 0.030 1 730 69 69 PRO HD2 H 3.668 0.030 1 731 69 69 PRO HD3 H 3.668 0.030 1 732 69 69 PRO CA C 63.339 0.300 1 733 69 69 PRO CB C 32.287 0.300 1 734 69 69 PRO CG C 27.171 0.300 1 735 69 69 PRO CD C 49.844 0.300 1 736 70 70 SER H H 8.528 0.030 1 737 71 71 SER HA H 4.450 0.030 1 738 71 71 SER HB2 H 3.942 0.030 1 739 71 71 SER HB3 H 3.942 0.030 1 740 71 71 SER C C 174.676 0.300 1 741 71 71 SER CA C 58.844 0.300 1 742 71 71 SER CB C 63.791 0.300 1 743 72 72 GLU H H 8.347 0.030 1 744 72 72 GLU HA H 4.303 0.030 1 745 72 72 GLU HB2 H 2.073 0.030 2 746 72 72 GLU HB3 H 1.936 0.030 2 747 72 72 GLU HG2 H 2.292 0.030 2 748 72 72 GLU HG3 H 2.248 0.030 2 749 72 72 GLU C C 176.469 0.300 1 750 72 72 GLU CA C 56.839 0.300 1 751 72 72 GLU CB C 30.244 0.300 1 752 72 72 GLU CG C 36.164 0.300 1 753 72 72 GLU N N 122.543 0.300 1 754 73 73 ARG H H 8.239 0.030 1 755 73 73 ARG HA H 4.348 0.030 1 756 73 73 ARG HB2 H 1.872 0.030 2 757 73 73 ARG HB3 H 1.765 0.030 2 758 73 73 ARG HG2 H 1.646 0.030 1 759 73 73 ARG HG3 H 1.646 0.030 1 760 73 73 ARG HD2 H 3.219 0.030 1 761 73 73 ARG HD3 H 3.219 0.030 1 762 73 73 ARG C C 176.032 0.300 1 763 73 73 ARG CA C 55.959 0.300 1 764 73 73 ARG CB C 30.902 0.300 1 765 73 73 ARG CG C 26.955 0.300 1 766 73 73 ARG CD C 43.318 0.300 1 767 73 73 ARG N N 121.640 0.300 1 768 74 74 ALA H H 8.345 0.030 1 769 74 74 ALA HA H 4.366 0.030 1 770 74 74 ALA HB H 1.421 0.030 1 771 74 74 ALA C C 177.728 0.300 1 772 74 74 ALA CA C 52.617 0.300 1 773 74 74 ALA CB C 19.309 0.300 1 774 74 74 ALA N N 125.551 0.300 1 775 75 75 SER H H 8.302 0.030 1 776 75 75 SER HA H 4.495 0.030 1 777 75 75 SER HB2 H 3.881 0.030 1 778 75 75 SER HB3 H 3.881 0.030 1 779 75 75 SER C C 174.627 0.300 1 780 75 75 SER CA C 58.281 0.300 1 781 75 75 SER CB C 64.120 0.300 1 782 75 75 SER N N 115.155 0.300 1 783 76 76 GLY H H 8.206 0.030 1 784 76 76 GLY C C 171.817 0.300 1 785 76 76 GLY CA C 44.736 0.300 1 786 76 76 GLY N N 110.559 0.300 1 stop_ save_